smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCN[C@@H]1CN(C(=O)[C@]2(C)CCCS2(=O)=O)C[C@H]1c1cn(C)cn1 ZINC001070544439 837658126 /nfs/dbraw/zinc/65/81/26/837658126.db2.gz XQXRWURJRBTUPT-LXZKKBNFSA-N 0 3 366.487 0.457 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1c1cn(C)cn1 ZINC001070542294 837658202 /nfs/dbraw/zinc/65/82/02/837658202.db2.gz YIZMNHSYJBMHCY-DZGCQCFKSA-N 0 3 368.503 0.703 20 30 FCEDHN C#CCCN1CCCO[C@H](CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001073660770 837784158 /nfs/dbraw/zinc/78/41/58/837784158.db2.gz NWCOFAQUDYZLPE-MCIONIFRSA-N 0 3 364.364 0.563 20 30 FCEDHN C#CCCN1CCCO[C@@H](CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001073660771 837784428 /nfs/dbraw/zinc/78/44/28/837784428.db2.gz NWCOFAQUDYZLPE-MJBXVCDLSA-N 0 3 364.364 0.563 20 30 FCEDHN C#CCOc1ncccc1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001099332792 844029452 /nfs/dbraw/zinc/02/94/52/844029452.db2.gz CZGXATNWRVQFLO-CHWSQXEVSA-N 0 3 357.332 0.678 20 30 FCEDHN C#CCNC(=O)C1CCN(CCC(=O)Nc2sccc2C(N)=O)CC1 ZINC000747818148 836264673 /nfs/dbraw/zinc/26/46/73/836264673.db2.gz GAQNVRLTDKEWEL-UHFFFAOYSA-N 0 3 362.455 0.637 20 30 FCEDHN Cc1nc(CCCC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)cs1 ZINC000750708639 836438496 /nfs/dbraw/zinc/43/84/96/836438496.db2.gz QMSXNFVJYPOPJU-ZDUSSCGKSA-N 0 3 369.468 0.740 20 30 FCEDHN C=CCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)C2(F)CCOCC2)[C@H](C)C1 ZINC001102031230 844389553 /nfs/dbraw/zinc/38/95/53/844389553.db2.gz YLWCFYHHDFVOET-QLFBSQMISA-N 0 3 355.454 0.880 20 30 FCEDHN CC(C)(C(=O)N[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1O)c1cnc[nH]1 ZINC001078009558 839290429 /nfs/dbraw/zinc/29/04/29/839290429.db2.gz HIIVHXIURYMKMX-ZIAGYGMSSA-N 0 3 359.455 0.982 20 30 FCEDHN C=CCCN1CCC2(CN(C(=O)C3CS(=O)(=O)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079241788 839498512 /nfs/dbraw/zinc/49/85/12/839498512.db2.gz CEXXQMJKJBTHDV-JKSUJKDBSA-N 0 3 368.499 0.547 20 30 FCEDHN COCC#CCN1C[C@@H](CNC(=O)CNC(=O)c2cscn2)[C@H](C)C1 ZINC001102498718 844532339 /nfs/dbraw/zinc/53/23/39/844532339.db2.gz FSUFLEKJPOFPAU-ZIAGYGMSSA-N 0 3 364.471 0.207 20 30 FCEDHN C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1NCc1ccc(C#N)c(F)c1 ZINC001082438606 840412133 /nfs/dbraw/zinc/41/21/33/840412133.db2.gz QHQAFPCOBPNPQW-IAQYHMDHSA-N 0 3 353.419 0.678 20 30 FCEDHN COCC#CCN1C[C@@H](CNC(=O)[C@H](CC(C)C)NC(C)=O)[C@H](C)C1 ZINC001102522270 844549903 /nfs/dbraw/zinc/54/99/03/844549903.db2.gz WJPKIVPURUBTSC-NXHRZFHOSA-N 0 3 351.491 0.871 20 30 FCEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2cn(CC(=O)N(C)C)nn2)C1 ZINC001086883089 842191087 /nfs/dbraw/zinc/19/10/87/842191087.db2.gz LDIMVTBTWLDBIT-QWHCGFSZSA-N 0 3 368.869 0.607 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2csc3cncn32)C[C@H]1c1cnn(C)c1 ZINC001087000049 842208330 /nfs/dbraw/zinc/20/83/30/842208330.db2.gz DKBIZYRJNXTCHS-UONOGXRCSA-N 0 3 354.439 0.960 20 30 FCEDHN CC#CCN1CC[C@@H]2CN(C(=O)C[C@]3(C)CCS(=O)(=O)N3)C[C@@H]2C1 ZINC001088183559 842553526 /nfs/dbraw/zinc/55/35/26/842553526.db2.gz MBSCCLFZNVDGQO-VYDXJSESSA-N 0 3 353.488 0.262 20 30 FCEDHN CCN(CC)CC(=O)N[C@@H]1CN(c2snc(Cl)c2C#N)C[C@@H]1O ZINC001091109030 842964883 /nfs/dbraw/zinc/96/48/83/842964883.db2.gz POIDCLVSCNVWTJ-MNOVXSKESA-N 0 3 357.867 0.676 20 30 FCEDHN CCN(CC)CC(=O)N[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@@H]1O ZINC001091109083 842965437 /nfs/dbraw/zinc/96/54/37/842965437.db2.gz RAINSIALKIDDBR-ZJUUUORDSA-N 0 3 357.867 0.676 20 30 FCEDHN Cc1nsc(N2C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)[C@@H](O)C2)c1C#N ZINC001091133472 842978118 /nfs/dbraw/zinc/97/81/18/842978118.db2.gz PQXIDNVBLNUBPW-RDBSUJKOSA-N 0 3 351.476 0.575 20 30 FCEDHN CN(C)[C@H](C(=O)N[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@@H]1O)C1CC1 ZINC001091156376 842988326 /nfs/dbraw/zinc/98/83/26/842988326.db2.gz GHZXSZQCGGHHPK-ILXRZTDVSA-N 0 3 363.849 0.613 20 30 FCEDHN C=CCN1CC[C@@H](N2C[C@@H](CNC(=O)c3csc(=O)[nH]3)[C@H](C)C2)C1=O ZINC001092902571 843336192 /nfs/dbraw/zinc/33/61/92/843336192.db2.gz RMYBUIJNBCTPMW-YRGRVCCFSA-N 0 3 364.471 0.933 20 30 FCEDHN C=CCN1CCN(C(=O)CC[C@@H]2CCCN2C)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094639290 843630379 /nfs/dbraw/zinc/63/03/79/843630379.db2.gz UIIZCNJULGIKLQ-HRCADAONSA-N 0 3 355.504 0.357 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)C[C@H]1C(F)(F)F ZINC001099272228 843998474 /nfs/dbraw/zinc/99/84/74/843998474.db2.gz MCHHBOJFJNVVDP-HBNTYKKESA-N 0 3 359.352 0.711 20 30 FCEDHN C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)OCC(C)C)C1 ZINC001102735675 844638752 /nfs/dbraw/zinc/63/87/52/844638752.db2.gz PEXNNMLKDAJDJX-BRWVUGGUSA-N 0 3 351.491 0.871 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)NCC[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1C ZINC001102919813 844667656 /nfs/dbraw/zinc/66/76/56/844667656.db2.gz GNUZASNZAOASBQ-IDHHARJASA-N 0 3 351.491 0.914 20 30 FCEDHN C#CCO[C@H](C)C(=O)NCC[C@@H]1CN(CC(=O)NCC(C)C)C[C@H]1C ZINC001102975633 844676991 /nfs/dbraw/zinc/67/69/91/844676991.db2.gz SVANGPKBVRXOAE-BRWVUGGUSA-N 0 3 351.491 0.871 20 30 FCEDHN C=CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001103318686 844737677 /nfs/dbraw/zinc/73/76/77/844737677.db2.gz MXXRLHIVPDZAHB-KBUPBQIOSA-N 0 3 350.463 0.728 20 30 FCEDHN C=CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)COCCOCC)C1 ZINC001103757131 844817358 /nfs/dbraw/zinc/81/73/58/844817358.db2.gz MYGXXCKRGVNZIH-HZPDHXFCSA-N 0 3 355.479 0.416 20 30 FCEDHN CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC(=O)NCC#N)C2)[C@H]1C(C)C ZINC001105587607 844991782 /nfs/dbraw/zinc/99/17/82/844991782.db2.gz KEOIXOJBGGBFNO-DTTOXWODSA-N 0 3 350.463 0.392 20 30 FCEDHN CC#CCN[C@@H]1C[C@]2(CN(C(=O)C3CS(=O)(=O)C3)[C@H]2C(C)C)C[C@H]1O ZINC001105632311 845004975 /nfs/dbraw/zinc/00/49/75/845004975.db2.gz KGUJEGZKNMRGKH-XLMAVXFVSA-N 0 3 368.499 0.020 20 30 FCEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NS(=O)(=O)CC)C2 ZINC001109314399 845621624 /nfs/dbraw/zinc/62/16/24/845621624.db2.gz OYRCXTXISGCPEM-XGUBFFRZSA-N 0 3 359.492 0.238 20 30 FCEDHN CC(C)(C)OC[C@H](O)CN1CC[C@]2(C1)CN(CCCC#N)C(=O)CO2 ZINC001276800666 861616659 /nfs/dbraw/zinc/61/66/59/861616659.db2.gz UJTIFZQVUDRDAJ-QAPCUYQASA-N 0 3 353.463 0.769 20 30 FCEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCCN1C(N)=O)C2 ZINC001111262331 846071727 /nfs/dbraw/zinc/07/17/27/846071727.db2.gz LOZRDMSTPZHIDH-WCVJEAGWSA-N 0 3 350.463 0.844 20 30 FCEDHN CCS(=O)(=O)NCCCN1C[C@@H]2CCC[C@]2(NC(=O)C#CC(C)C)C1 ZINC001111736847 846187363 /nfs/dbraw/zinc/18/73/63/846187363.db2.gz YEKQYSRRGQJZKF-WMZOPIPTSA-N 0 3 369.531 0.946 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cnc(C)[nH]2)C[C@H]1C(F)(F)F ZINC001112068377 846345114 /nfs/dbraw/zinc/34/51/14/846345114.db2.gz VQULYGBGHXQHSW-ZYHUDNBSSA-N 0 3 357.336 0.060 20 30 FCEDHN C=CCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC[C@@H](O)COCCOC)C1 ZINC001112068453 846345240 /nfs/dbraw/zinc/34/52/40/846345240.db2.gz ZILJLHHWXHAEAV-MGPQQGTHSA-N 0 3 368.396 0.955 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2nnn(C)c2C)C[C@H]1C(F)(F)F ZINC001112074564 846352928 /nfs/dbraw/zinc/35/29/28/846352928.db2.gz NCIMYAXNIZQJIS-VXGBXAGGSA-N 0 3 361.368 0.919 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)[C@@H]2COCCN2C)C[C@H]1C(F)(F)F ZINC001112083870 846361646 /nfs/dbraw/zinc/36/16/46/846361646.db2.gz YYVZUYICXNOCPW-MCIONIFRSA-N 0 3 365.396 0.499 20 30 FCEDHN C#CCNC(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCC=C)C1 ZINC001112085806 846364146 /nfs/dbraw/zinc/36/41/46/846364146.db2.gz OGDBMONNJBDEHD-CHWSQXEVSA-N 0 3 361.364 0.307 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCn2cncn2)C1 ZINC001112100645 846379346 /nfs/dbraw/zinc/37/93/46/846379346.db2.gz IHVFOOFZQLFMHB-JHJVBQTASA-N 0 3 359.352 0.295 20 30 FCEDHN C#CCCN[C@@H]1CN(C(=O)c2cn(CCOC)nn2)C[C@H]1C(F)(F)F ZINC001112100895 846379944 /nfs/dbraw/zinc/37/99/44/846379944.db2.gz PDFRQVDSKKNZDE-VXGBXAGGSA-N 0 3 359.352 0.540 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)CC)C[C@H]1C(F)(F)F ZINC001112105801 846384753 /nfs/dbraw/zinc/38/47/53/846384753.db2.gz FZQZCHJENLRYPM-GMTAPVOTSA-N 0 3 357.398 0.479 20 30 FCEDHN COCC#CCN[C@@H]1CN(C(=O)Cn2cncc2C)C[C@H]1C(F)(F)F ZINC001112131222 846407155 /nfs/dbraw/zinc/40/71/55/846407155.db2.gz QKIKEOPPCKZFOX-ZIAGYGMSSA-N 0 3 358.364 0.820 20 30 FCEDHN C#CCCN[C@@H]1CN(C(=O)[C@@H](CCC)S(N)(=O)=O)C[C@H]1C(F)(F)F ZINC001112137934 846411705 /nfs/dbraw/zinc/41/17/05/846411705.db2.gz LAZPCNCBHKEMQS-IJLUTSLNSA-N 0 3 369.409 0.446 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CNC(=O)c2cccnc2)C[C@H]1C(F)(F)F ZINC001112169945 846432247 /nfs/dbraw/zinc/43/22/47/846432247.db2.gz YWLFZEUDJQNIHP-CHWSQXEVSA-N 0 3 356.348 0.976 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CS(=O)(=O)N(CC)CC)C[C@H]1C(F)(F)F ZINC001112173559 846433804 /nfs/dbraw/zinc/43/38/04/846433804.db2.gz DZGRTSPHNMCZJH-VXGBXAGGSA-N 0 3 371.425 0.823 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)COCc2nncn2C)C[C@H]1C(F)(F)F ZINC001112188187 846447774 /nfs/dbraw/zinc/44/77/74/846447774.db2.gz XUMQAFUKRJBEDR-VXGBXAGGSA-N 0 3 361.368 0.887 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@H](C)CN2CCOCC2)C[C@H]1C(F)(F)F ZINC001112206332 846462349 /nfs/dbraw/zinc/46/23/49/846462349.db2.gz NQVYVRWAEZGEFM-RBSFLKMASA-N 0 3 361.408 0.957 20 30 FCEDHN C#CCCN[C@@H]1CN(C(=O)c2cncc(C(N)=O)c2)C[C@H]1C(F)(F)F ZINC001112207420 846464136 /nfs/dbraw/zinc/46/41/36/846464136.db2.gz SBXCPJOUENJGNK-CHWSQXEVSA-N 0 3 354.332 0.796 20 30 FCEDHN C#CCCN[C@@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)C[C@H]1C(F)(F)F ZINC001112208898 846466079 /nfs/dbraw/zinc/46/60/79/846466079.db2.gz LJQANSNFKHYRNT-IJLUTSLNSA-N 0 3 352.378 0.566 20 30 FCEDHN C=CC[C@H](CC)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001117393786 846999291 /nfs/dbraw/zinc/99/92/91/846999291.db2.gz IBLOHYUQGROWDJ-LSDHHAIUSA-N 0 3 350.463 0.222 20 30 FCEDHN C[C@]12CN(C(=O)C3CC4(C3)CNC[C@H]4C#N)C[C@@]1(C)CS(=O)(=O)C2 ZINC001119356075 847820671 /nfs/dbraw/zinc/82/06/71/847820671.db2.gz CKMXACDNRISDNJ-OEKQDRQZSA-N 0 3 351.472 0.409 20 30 FCEDHN O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)NC[C@@H]1CCCCC[NH2+]1 ZINC001122302812 848485867 /nfs/dbraw/zinc/48/58/67/848485867.db2.gz AXFQPMIAAZKFRO-LBPRGKRZSA-N 0 3 350.444 0.374 20 30 FCEDHN CN(C)S(=O)(=O)c1c[nH]c(C(=O)C(C#N)C(=O)Nc2ccccn2)c1 ZINC001122627657 848525491 /nfs/dbraw/zinc/52/54/91/848525491.db2.gz CSBLWYPUHWXGDL-LLVKDONJSA-N 0 3 361.383 0.621 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1OCC[C@H]1C(C)C ZINC001127542261 848724763 /nfs/dbraw/zinc/72/47/63/848724763.db2.gz DUENRMRTIXFDGJ-IHRRRGAJSA-N 0 3 354.451 0.154 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001127613285 848729345 /nfs/dbraw/zinc/72/93/45/848729345.db2.gz YAQWHFHUEYJCRH-YUTCNCBUSA-N 0 3 352.435 0.050 20 30 FCEDHN C=C(Cl)CN1C[C@@H](NC(=O)[C@H](C2CC2)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129043208 848799293 /nfs/dbraw/zinc/79/92/93/848799293.db2.gz MVIGRKPQOOZJBX-ILXRZTDVSA-N 0 3 352.870 0.712 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)[C@H](C)OCCOC)[C@@H](n2ccnn2)C1 ZINC001129301674 848828550 /nfs/dbraw/zinc/82/85/50/848828550.db2.gz VNMWLPIUXVHFLH-XHSDSOJGSA-N 0 3 351.451 0.637 20 30 FCEDHN C=CCOCCN1C[C@@H](NC(=O)CN(C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129460345 848846589 /nfs/dbraw/zinc/84/65/89/848846589.db2.gz JZDOEVCXOIHOHD-CVEARBPZSA-N 0 3 350.467 0.162 20 30 FCEDHN N#CCSCC(=O)N1C[C@@H](NCCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001129603778 848868571 /nfs/dbraw/zinc/86/85/71/848868571.db2.gz KETGHGFVEVQHLK-CABCVRRESA-N 0 3 364.475 0.303 20 30 FCEDHN CC(C)COCCN[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1 ZINC001129604083 848868668 /nfs/dbraw/zinc/86/86/68/848868668.db2.gz WLCVYMGZFMBRJE-CABCVRRESA-N 0 3 366.491 0.549 20 30 FCEDHN C#CCOCCC(=O)N1C[C@@H](NCCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129837396 848901986 /nfs/dbraw/zinc/90/19/86/848901986.db2.gz CWZVCXZHLVCLBZ-OLZOCXBDSA-N 0 3 359.352 0.612 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)N1C[C@@H](NC/C=C\Cl)[C@@H](n2ccnn2)C1 ZINC001129897633 848910962 /nfs/dbraw/zinc/91/09/62/848910962.db2.gz DSRRNCKWPJVVSG-RTDMQHNUSA-N 0 3 362.865 0.470 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CCCOCCOCC)C[C@@H]1n1ccnn1 ZINC001130088628 848942620 /nfs/dbraw/zinc/94/26/20/848942620.db2.gz AUSRPEXVKAOMJA-CVEARBPZSA-N 0 3 351.451 0.639 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)C(F)(F)F)[n-]1 ZINC001130227560 848980913 /nfs/dbraw/zinc/98/09/13/848980913.db2.gz DOUNTEZVYIBONG-DCAQKATOSA-N 0 3 359.352 0.715 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC(C)(F)F)[n-]1 ZINC001130232206 848981851 /nfs/dbraw/zinc/98/18/51/848981851.db2.gz CQXBHQCWADDLMP-RYUDHWBXSA-N 0 3 355.389 0.952 20 30 FCEDHN CC(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2NCC(=O)NCC#N)CC1 ZINC001131410299 849100056 /nfs/dbraw/zinc/10/00/56/849100056.db2.gz AKFUZWDRAAYZNH-QAPCUYQASA-N 0 3 350.463 0.658 20 30 FCEDHN CC[C@@H](F)C(=O)N1CCC([C@@H]2OCC[C@H]2NCC(=O)NCC#N)CC1 ZINC001131541380 849120442 /nfs/dbraw/zinc/12/04/42/849120442.db2.gz MBWPSRYXJFYUFA-FMKPAKJESA-N 0 3 354.426 0.360 20 30 FCEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001133939762 849166063 /nfs/dbraw/zinc/16/60/63/849166063.db2.gz NQTRIHAMDQCSJM-KFWWJZLASA-N 0 3 352.479 0.407 20 30 FCEDHN N#CCCCN1CC[C@]2(CCCN2C[C@H](O)CN2CCOCC2)C1=O 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854427185 /nfs/dbraw/zinc/42/71/85/854427185.db2.gz XQKAQAMBGJOERX-IAGOWNOFSA-N 0 3 351.491 0.716 20 30 FCEDHN C=CCCOCC(=O)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@H]1OC ZINC001213959370 854842426 /nfs/dbraw/zinc/84/24/26/854842426.db2.gz GEXATENFVHFDIL-ARFHVFGLSA-N 0 3 353.463 0.311 20 30 FCEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)C[C@H]1C ZINC001214098643 854884596 /nfs/dbraw/zinc/88/45/96/854884596.db2.gz XTAZKWPVZMAVLW-IIAWOOMASA-N 0 3 352.479 0.372 20 30 FCEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)C[C@H]1C ZINC001214100295 854885574 /nfs/dbraw/zinc/88/55/74/854885574.db2.gz JYEPXWYNHYPVHX-IIAWOOMASA-N 0 3 350.463 0.148 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCSC)C[C@H]1C ZINC001214122215 854890445 /nfs/dbraw/zinc/89/04/45/854890445.db2.gz PKRZOPGYUISJLG-JHJVBQTASA-N 0 3 356.492 0.576 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2cc(Cl)c[nH]2)C[C@H]1C ZINC001214127997 854891380 /nfs/dbraw/zinc/89/13/80/854891380.db2.gz 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20 30 FCEDHN C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)CCCCC(N)=O)C[C@H]2C)C1=O ZINC001216310017 855190481 /nfs/dbraw/zinc/19/04/81/855190481.db2.gz JYJJYIDWMZADTK-RBSFLKMASA-N 0 3 350.463 0.256 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCCN(C)C(C)=O)C[C@H]1C ZINC001216597640 855216394 /nfs/dbraw/zinc/21/63/94/855216394.db2.gz KMVVGVVNILRTRT-IJEWVQPXSA-N 0 3 352.479 0.372 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2sc(COC)nc2C)C[C@H]1C ZINC001216593953 855216501 /nfs/dbraw/zinc/21/65/01/855216501.db2.gz WXABDAJATKKOTC-DGCLKSJQSA-N 0 3 364.471 0.397 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)CNC(=O)CC(C)(C)C)C[C@H]1C ZINC001216789723 855245487 /nfs/dbraw/zinc/24/54/87/855245487.db2.gz MKUKSSISMNWCIY-ZIAGYGMSSA-N 0 3 352.479 0.278 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)CCC(=O)N(CC)CC)C[C@H]1C ZINC001216813192 855248118 /nfs/dbraw/zinc/24/81/18/855248118.db2.gz GJVZRJVRIHVYEG-HUUCEWRRSA-N 0 3 352.479 0.374 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCCCC(=O)NC)C[C@H]1C ZINC001216924240 855269660 /nfs/dbraw/zinc/26/96/60/855269660.db2.gz ZWGDDDVCILTWPA-RBSFLKMASA-N 0 3 352.479 0.420 20 30 FCEDHN CCCCCCCN1C[C@H]2OCCN(C(=O)CN3CN=NC3=O)[C@H]2C1 ZINC001217657796 855360686 /nfs/dbraw/zinc/36/06/86/855360686.db2.gz GPDSPNSRQMXDAX-LSDHHAIUSA-N 0 3 351.451 0.866 20 30 FCEDHN N#Cc1cnc(NC(=O)CN2CCCC[C@H](N)C2=O)c(Br)c1 ZINC001218553118 855438957 /nfs/dbraw/zinc/43/89/57/855438957.db2.gz WGJXZMJFNLRBHX-NSHDSACASA-N 0 3 366.219 0.994 20 30 FCEDHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1sc2ccccc2c1C#N ZINC001218650637 855458935 /nfs/dbraw/zinc/45/89/35/855458935.db2.gz WFUWKRXKINXUPT-KWQFWETISA-N 0 3 359.411 0.419 20 30 FCEDHN C=CCOCCN1C[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@@H](O)C1 ZINC001220359450 856082648 /nfs/dbraw/zinc/08/26/48/856082648.db2.gz NCVFYGLFFVIDNG-VKJFTORMSA-N 0 3 357.470 0.563 20 30 FCEDHN C=CCCCCCN1C[C@@H](NC(=O)COCc2nncn2C)[C@@H](O)C1 ZINC001220661189 856227860 /nfs/dbraw/zinc/22/78/60/856227860.db2.gz KUGACSDHLJIMFI-CABCVRRESA-N 0 3 351.451 0.239 20 30 FCEDHN COCC#CCN1C[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)[C@@H](O)C1 ZINC001221096662 856461915 /nfs/dbraw/zinc/46/19/15/856461915.db2.gz WKIPTNWCCWCRLX-FGTMMUONSA-N 0 3 351.491 0.308 20 30 FCEDHN C=CCCC(=O)N1C[C@H]2CCN(C[C@H]3CCN(S(C)(=O)=O)C3)C[C@H]21 ZINC001221428953 856564387 /nfs/dbraw/zinc/56/43/87/856564387.db2.gz ASHOJWPITXPEOZ-BZUAXINKSA-N 0 3 355.504 0.767 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)C(C)(C)N(C)CC)[C@@H]2C1 ZINC001221654646 856640690 /nfs/dbraw/zinc/64/06/90/856640690.db2.gz QQKMFEBPESNTNB-BZUAXINKSA-N 0 3 350.507 0.940 20 30 FCEDHN C=CCNC(=O)NC(C)(C)C(=O)N1C[C@H]2CCN([C@H](C)COC)C[C@H]21 ZINC001222051319 856785424 /nfs/dbraw/zinc/78/54/24/856785424.db2.gz UHMPZPCEYGVFQB-RBSFLKMASA-N 0 3 352.479 0.818 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)OC ZINC001225253770 857031142 /nfs/dbraw/zinc/03/11/42/857031142.db2.gz JXXYFJMOUBDXRE-MCIONIFRSA-N 0 3 354.451 0.440 20 30 FCEDHN C=C(C)CN(CC)C(=O)CN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001227252883 857153186 /nfs/dbraw/zinc/15/31/86/857153186.db2.gz ROJDPFYRXYIPTF-HUUCEWRRSA-N 0 3 352.435 0.657 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1nc2c(s1)CCC2 ZINC001227508649 857162530 /nfs/dbraw/zinc/16/25/30/857162530.db2.gz JVZGNCXWRONOPX-VXGBXAGGSA-N 0 3 361.471 0.902 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCNC(=O)CC1 ZINC001227734632 857174146 /nfs/dbraw/zinc/17/41/46/857174146.db2.gz QPYARRRGWFHBBQ-RRFJBIMHSA-N 0 3 350.463 0.222 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCC(=O)N1C ZINC001227893000 857182696 /nfs/dbraw/zinc/18/26/96/857182696.db2.gz CPSHYUCBHZDHND-RBSFLKMASA-N 0 3 350.463 0.317 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1(CF)CC1 ZINC001228537830 857214482 /nfs/dbraw/zinc/21/44/82/857214482.db2.gz GJZXXQRURNIVAH-CHWSQXEVSA-N 0 3 354.426 0.765 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ocnc1C(F)F ZINC001228633318 857220209 /nfs/dbraw/zinc/22/02/09/857220209.db2.gz ZQEXTOLTNZDHPX-GHMZBOCLSA-N 0 3 354.357 0.992 20 30 FCEDHN CC(C)c1nnsc1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N ZINC001229262698 857261290 /nfs/dbraw/zinc/26/12/90/857261290.db2.gz OPVLZLXNRWJLQI-VXGBXAGGSA-N 0 3 364.475 0.932 20 30 FCEDHN COCCCOCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N ZINC001229569863 857275888 /nfs/dbraw/zinc/27/58/88/857275888.db2.gz LLDMWKFIMCLAFW-HUUCEWRRSA-N 0 3 354.451 0.086 20 30 FCEDHN Cc1c(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)c(Cl)nn1C ZINC001229955669 857293783 /nfs/dbraw/zinc/29/37/83/857293783.db2.gz AAMUJNMZZPHLKJ-VXGBXAGGSA-N 0 3 366.853 0.652 20 30 FCEDHN C=CCCN1CCS(=O)(=O)[C@H](CCNC(=O)[C@@H]2CCN(C)[C@@H]2C)C1 ZINC001230467524 857336653 /nfs/dbraw/zinc/33/66/53/857336653.db2.gz PMCXIEOBVVPYGT-BZUAXINKSA-N 0 3 357.520 0.508 20 30 FCEDHN C=CCOC(=O)N1CCC2(CN(C[C@@H](O)CN3CCOCC3)C2)CC1 ZINC001251003449 857676738 /nfs/dbraw/zinc/67/67/38/857676738.db2.gz LLCKDBKPURJNLL-INIZCTEOSA-N 0 3 353.463 0.400 20 30 FCEDHN C#CCOC[C@@H](O)CN[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O ZINC001251903053 857766674 /nfs/dbraw/zinc/76/66/74/857766674.db2.gz DOCJXUUEPPOKOY-JYJNAYRXSA-N 0 3 355.479 0.018 20 30 FCEDHN C#CCOC[C@@H](O)CN[C@H](CO)[C@H](O)c1ccc(Br)cc1 ZINC001251904393 857767091 /nfs/dbraw/zinc/76/70/91/857767091.db2.gz YRSJYXHFTOJHSB-RRFJBIMHSA-N 0 3 358.232 0.444 20 30 FCEDHN C=CCOC[C@@H](O)CN1C[C@@H](NC(=O)C2CCC2)[C@H]2OCCC[C@H]2C1 ZINC001252463504 857811892 /nfs/dbraw/zinc/81/18/92/857811892.db2.gz PMTDWRHYBLYECX-FJIDUMEYSA-N 0 3 352.475 0.946 20 30 FCEDHN C=CCN(CC=C)CCN1CCN(S(=O)(=O)c2ccn(C)n2)CC1 ZINC001259942368 858313811 /nfs/dbraw/zinc/31/38/11/858313811.db2.gz IKEPXCQVEGTXBX-UHFFFAOYSA-N 0 3 353.492 0.400 20 30 FCEDHN C=CCn1c([C@@H](O)COC)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001262997804 859079377 /nfs/dbraw/zinc/07/93/77/859079377.db2.gz NLJGGZAMIUTWNF-CABCVRRESA-N 0 3 351.451 0.302 20 30 FCEDHN CN1CCC(NC(=O)c2cn3c(n2)CN(C(=O)CCS)CC3)CC1 ZINC001269879951 859587381 /nfs/dbraw/zinc/58/73/81/859587381.db2.gz XEEIQMJFUQKRQD-UHFFFAOYSA-N 0 3 351.476 0.369 20 30 FCEDHN C[C@@H](C#N)S(=O)(=O)N1CCC[C@]2(CCN(CCn3ccnc3)C2)C1 ZINC001280299471 863386412 /nfs/dbraw/zinc/38/64/12/863386412.db2.gz KXUYSSGUSJWQLR-JKSUJKDBSA-N 0 3 351.476 0.913 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)C2(NC(C)=O)CCCC2)C[C@H]1C ZINC001316596859 867362168 /nfs/dbraw/zinc/36/21/68/867362168.db2.gz BHFUVADCWYUFOQ-UKRRQHHQSA-N 0 3 350.463 0.174 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NCCOc2ncccc2Cl)CC1 ZINC001322802355 868951483 /nfs/dbraw/zinc/95/14/83/868951483.db2.gz IYVWNNIJPJXDIS-UHFFFAOYSA-N 0 3 366.849 0.997 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NC2CCC(C(=O)NC)CC2)CC1 ZINC001325904930 870085197 /nfs/dbraw/zinc/08/51/97/870085197.db2.gz CVHKXACQOBPLKO-UHFFFAOYSA-N 0 3 350.463 0.174 20 30 FCEDHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 ZINC001326226524 870216871 /nfs/dbraw/zinc/21/68/71/870216871.db2.gz FTYWIRMIHLRULZ-QGZVFWFLSA-N 0 3 364.471 0.515 20 30 FCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)CC)c1 ZINC001343949559 870680680 /nfs/dbraw/zinc/68/06/80/870680680.db2.gz FWWXHNVIQFZMGR-UHFFFAOYSA-N 0 3 365.455 0.490 20 30 FCEDHN CN(C)[C@]1(CNC(=O)C(=O)NCc2ccc(C#N)c(F)c2)CCSC1 ZINC001328812535 871639107 /nfs/dbraw/zinc/63/91/07/871639107.db2.gz LIZKMXSWHFLXDR-KRWDZBQOSA-N 0 3 364.446 0.867 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001346143496 871667486 /nfs/dbraw/zinc/66/74/86/871667486.db2.gz QBGHNXVMPZCPPH-HUUCEWRRSA-N 0 3 371.503 0.225 20 30 FCEDHN CCN(C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)[C@H]1CC[NH2+]C1 ZINC001333273847 873887667 /nfs/dbraw/zinc/88/76/67/873887667.db2.gz UUQASRCLTVYMFO-STQMWFEESA-N 0 3 364.471 0.714 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573285390 946778082 /nfs/dbraw/zinc/77/80/82/946778082.db2.gz HASHTPRBLRZEEX-RHSMWYFYSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573285390 946778086 /nfs/dbraw/zinc/77/80/86/946778086.db2.gz HASHTPRBLRZEEX-RHSMWYFYSA-N 0 3 368.441 0.986 20 30 FCEDHN C=CCC[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1OCC ZINC001573335525 947480734 /nfs/dbraw/zinc/48/07/34/947480734.db2.gz QOJVYURMTVVMPN-UKRRQHHQSA-N 0 3 359.434 0.838 20 30 FCEDHN C=CCC[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1OCC ZINC001573335525 947480741 /nfs/dbraw/zinc/48/07/41/947480741.db2.gz QOJVYURMTVVMPN-UKRRQHHQSA-N 0 3 359.434 0.838 20 30 FCEDHN C[C@H](CNC(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574983313 950216013 /nfs/dbraw/zinc/21/60/13/950216013.db2.gz NBRXHKQCBHINLY-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@H](CNC(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574983313 950216036 /nfs/dbraw/zinc/21/60/36/950216036.db2.gz NBRXHKQCBHINLY-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)cc1-c1nnn[n-]1 ZINC001571060929 951946005 /nfs/dbraw/zinc/94/60/05/951946005.db2.gz VXXUZCKUCHXYMA-LALPHHSUSA-N 0 3 369.429 0.971 20 30 FCEDHN COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)cc1-c1nn[n-]n1 ZINC001571060929 951946010 /nfs/dbraw/zinc/94/60/10/951946010.db2.gz VXXUZCKUCHXYMA-LALPHHSUSA-N 0 3 369.429 0.971 20 30 FCEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000291387626 214030520 /nfs/dbraw/zinc/03/05/20/214030520.db2.gz VJQUVIISPAONKP-CYBMUJFWSA-N 0 3 361.421 0.778 20 30 FCEDHN CCN(CC)CCNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000283752423 213003577 /nfs/dbraw/zinc/00/35/77/213003577.db2.gz OUNXYCPCKVQMLU-UHFFFAOYSA-N 0 3 358.446 0.060 20 30 FCEDHN C[C@@H](O)CN1CCC(CN(C)S(=O)(=O)c2cccnc2C#N)CC1 ZINC000276986228 212314806 /nfs/dbraw/zinc/31/48/06/212314806.db2.gz HVLRIXPTFVUGKS-CYBMUJFWSA-N 0 3 352.460 0.667 20 30 FCEDHN CN(C)C[C@@](C)(O)CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000276841963 212295636 /nfs/dbraw/zinc/29/56/36/212295636.db2.gz HTGGUULGAYQCSZ-LPHOPBHVSA-N 0 3 373.457 0.271 20 30 FCEDHN CCN1CCN([C@H]2CCN(CC(=O)NCc3cccc(C#N)c3)C2)CC1 ZINC000371593254 216749037 /nfs/dbraw/zinc/74/90/37/216749037.db2.gz SHGQAKKZQGCNCP-IBGZPJMESA-N 0 3 355.486 0.886 20 30 FCEDHN N#Cc1cccnc1OC1CCC(NC(=O)C(=O)N[C@H](CN)C2CC2)CC1 ZINC000419722440 246270641 /nfs/dbraw/zinc/27/06/41/246270641.db2.gz BLLZHARRMWNHBO-UYSNPLJNSA-N 0 3 371.441 0.613 20 30 FCEDHN CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000419946002 246380847 /nfs/dbraw/zinc/38/08/47/246380847.db2.gz AHUDFEPPVTVVEU-INIZCTEOSA-N 0 3 357.458 0.696 20 30 FCEDHN N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCCC[C@@H]3CN)CC2)c(F)c1 ZINC000423630403 247083390 /nfs/dbraw/zinc/08/33/90/247083390.db2.gz YSAYSNFZQSKEBX-OAHLLOKOSA-N 0 3 373.432 0.686 20 30 FCEDHN N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2CCC[C@H]2CN)CC1 ZINC000423638057 247086152 /nfs/dbraw/zinc/08/61/52/247086152.db2.gz DDKPDNIUBMKBGZ-ZDUSSCGKSA-N 0 3 359.405 0.296 20 30 FCEDHN N#CCCC[C@@H](N)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000424131836 247171480 /nfs/dbraw/zinc/17/14/80/247171480.db2.gz GVRJJNYZZRQVQW-MRXNPFEDSA-N 0 3 361.421 0.930 20 30 FCEDHN N#CCCC[C@@H](N)C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000424158650 247174783 /nfs/dbraw/zinc/17/47/83/247174783.db2.gz RNMJFAVKRZEKQX-QGZVFWFLSA-N 0 3 357.458 0.468 20 30 FCEDHN Cn1cc([C@@H]2CN(C(=O)C(=O)Nc3ccc(C#N)cc3Cl)C[C@H]2N)cn1 ZINC000424447012 247219917 /nfs/dbraw/zinc/21/99/17/247219917.db2.gz KEYIXCZWEDJCMQ-GXTWGEPZSA-N 0 3 372.816 0.837 20 30 FCEDHN C=CCN(Cc1cccs1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424540067 247255468 /nfs/dbraw/zinc/25/54/68/247255468.db2.gz GBVVNAMLKLLTEH-JKSUJKDBSA-N 0 3 373.482 0.950 20 30 FCEDHN COCCN(C)CCN1C[C@@H](NC(=O)c2cccc(C#N)c2C)CC1=O ZINC000425325506 247326473 /nfs/dbraw/zinc/32/64/73/247326473.db2.gz XGORVFFHSQMZQF-INIZCTEOSA-N 0 3 358.442 0.776 20 30 FCEDHN Cn1ccc(=O)n(CCCNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1=O ZINC000425277930 247314004 /nfs/dbraw/zinc/31/40/04/247314004.db2.gz JHXYCKXBXMGDBQ-MRXNPFEDSA-N 0 3 365.393 0.307 20 30 FCEDHN C[C@H](c1cccc(C#N)c1)N(C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000425538150 247351357 /nfs/dbraw/zinc/35/13/57/247351357.db2.gz RPAWFPIDCPVQJV-CYBMUJFWSA-N 0 3 366.425 0.998 20 30 FCEDHN COc1cc(C#N)ccc1S(=O)(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000443102659 248307342 /nfs/dbraw/zinc/30/73/42/248307342.db2.gz MNVYMJRXZFBSMX-UHFFFAOYSA-N 0 3 366.487 0.871 20 30 FCEDHN CN(C)C[C@@H](O)COc1ccc(NS(=O)(=O)N(C)CCC#N)cc1 ZINC000443170604 248310404 /nfs/dbraw/zinc/31/04/04/248310404.db2.gz LFKGIWYETHYDER-CQSZACIVSA-N 0 3 356.448 0.490 20 30 FCEDHN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCOCCN(C)C ZINC000471658451 250113794 /nfs/dbraw/zinc/11/37/94/250113794.db2.gz LYQKRSGXCHGQMU-CQSZACIVSA-N 0 3 361.450 0.147 20 30 FCEDHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000472262839 250143416 /nfs/dbraw/zinc/14/34/16/250143416.db2.gz VFGWVXVTKFSDJN-HZPDHXFCSA-N 0 3 360.439 0.781 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC(=O)NC2)cc1 ZINC000480949982 250299596 /nfs/dbraw/zinc/29/95/96/250299596.db2.gz CLOLQVBIQHRROV-CMPLNLGQSA-N 0 3 350.400 0.772 20 30 FCEDHN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000482415758 250389438 /nfs/dbraw/zinc/38/94/38/250389438.db2.gz ZMWNIJPGZUSOSF-KCQAQPDRSA-N 0 3 364.471 0.824 20 30 FCEDHN C[C@H](NS(C)(=O)=O)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000073107960 208046435 /nfs/dbraw/zinc/04/64/35/208046435.db2.gz GUHVDYXBKOFBGS-ZDUSSCGKSA-N 0 3 352.460 0.386 20 30 FCEDHN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000161600249 208839764 /nfs/dbraw/zinc/83/97/64/208839764.db2.gz GWYOAHFYHOLJCL-DZGCQCFKSA-N 0 3 364.471 0.778 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(C)C(=O)C2)cc1 ZINC000287552105 533166588 /nfs/dbraw/zinc/16/65/88/533166588.db2.gz JSRLOKOXEXOMQX-NSHDSACASA-N 0 3 350.400 0.678 20 30 FCEDHN Cn1c(NCC2CCN(c3ccncc3)CC2)c(C#N)c(=O)n(C)c1=O ZINC000180043418 209089996 /nfs/dbraw/zinc/08/99/96/209089996.db2.gz VJYBOHYJQPEYEJ-UHFFFAOYSA-N 0 3 354.414 0.679 20 30 FCEDHN Cc1cccc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c1C#N ZINC000174902865 229213982 /nfs/dbraw/zinc/21/39/82/229213982.db2.gz HVBMLXLXIHHNEK-AWEZNQCLSA-N 0 3 357.458 0.805 20 30 FCEDHN COCCNS(=O)(=O)c1cccc(CNC(=N)Nc2ccccn2)c1 ZINC000267408518 229378821 /nfs/dbraw/zinc/37/88/21/229378821.db2.gz HRDBETZHJQLTKA-UHFFFAOYSA-N 0 3 363.443 0.933 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(CCO)CC2)cc1 ZINC000278636612 488886443 /nfs/dbraw/zinc/88/64/43/488886443.db2.gz OQCHVNCAAICNEU-ZDUSSCGKSA-N 0 3 366.443 0.514 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@H](C)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000363800262 488886612 /nfs/dbraw/zinc/88/66/12/488886612.db2.gz RCPWQQBHNILZBL-INIZCTEOSA-N 0 3 365.522 0.736 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000363800263 488886841 /nfs/dbraw/zinc/88/68/41/488886841.db2.gz RCPWQQBHNILZBL-MRXNPFEDSA-N 0 3 365.522 0.736 20 30 FCEDHN CN1CCC[C@@H]1CNC(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000328818975 488940839 /nfs/dbraw/zinc/94/08/39/488940839.db2.gz PHABEPRGSNVXKA-MRXNPFEDSA-N 0 3 351.495 0.481 20 30 FCEDHN COCCN1C[C@@H](C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC1=O ZINC000047011528 488008071 /nfs/dbraw/zinc/00/80/71/488008071.db2.gz PZCUOFBKXIKJCB-SFHVURJKSA-N 0 3 372.469 0.943 20 30 FCEDHN N#Cc1ccccc1NC(=O)CCN1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000074288068 488389844 /nfs/dbraw/zinc/38/98/44/488389844.db2.gz POHPNWUNVMNHBK-CYBMUJFWSA-N 0 3 350.444 0.887 20 30 FCEDHN COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000569820676 491195449 /nfs/dbraw/zinc/19/54/49/491195449.db2.gz SPEXKONYNSBFNP-OAHLLOKOSA-N 0 3 370.413 0.860 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(-n3cnnn3)c(C)c2)CC1 ZINC000076526436 488405658 /nfs/dbraw/zinc/40/56/58/488405658.db2.gz JISHGESZEOZPQH-UHFFFAOYSA-N 0 3 369.429 0.676 20 30 FCEDHN CC[C@]1(CO)CCCN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000189609248 488415131 /nfs/dbraw/zinc/41/51/31/488415131.db2.gz VZMUJJKJMIHLKX-GOSISDBHSA-N 0 3 361.446 0.740 20 30 FCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccn(C)n1 ZINC000077720876 488416820 /nfs/dbraw/zinc/41/68/20/488416820.db2.gz MVYBLWGAWYXYSH-UHFFFAOYSA-N 0 3 354.414 0.821 20 30 FCEDHN C=CCCOCCNC(=O)C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000569846886 491198293 /nfs/dbraw/zinc/19/82/93/491198293.db2.gz PRWDCYHUCRRCBK-KRWDZBQOSA-N 0 3 366.506 0.322 20 30 FCEDHN Cn1c(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c(C#N)c(=O)n(C)c1=O ZINC000089644936 488457578 /nfs/dbraw/zinc/45/75/78/488457578.db2.gz PNVOOBXWTVPYFS-LSDHHAIUSA-N 0 3 369.425 0.003 20 30 FCEDHN CN1CCC[C@H]1C(=O)N1CCN(CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000269074011 488467087 /nfs/dbraw/zinc/46/70/87/488467087.db2.gz XRCNCLMHEMLGOA-SFHVURJKSA-N 0 3 369.469 0.413 20 30 FCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCC[C@@H]3[C@H](C)O)CC2)o1 ZINC000246374180 488472505 /nfs/dbraw/zinc/47/25/05/488472505.db2.gz RWWWTYASDYVDQT-XJKSGUPXSA-N 0 3 361.446 0.739 20 30 FCEDHN N#Cc1ccsc1NC(=O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000103150772 488499486 /nfs/dbraw/zinc/49/94/86/488499486.db2.gz MGIJCTSQISKOKG-UHFFFAOYSA-N 0 3 361.471 0.798 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)COCC(=O)NCc2cccnc2)CC1 ZINC000108815645 488520688 /nfs/dbraw/zinc/52/06/88/488520688.db2.gz PQPTVNPYOZAQNL-UHFFFAOYSA-N 0 3 360.458 0.871 20 30 FCEDHN COCCN(CCN(C)C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000271624854 488532584 /nfs/dbraw/zinc/53/25/84/488532584.db2.gz IVFYCEQLOXCQBA-UHFFFAOYSA-N 0 3 364.450 0.485 20 30 FCEDHN C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1 ZINC000272420889 488579632 /nfs/dbraw/zinc/57/96/32/488579632.db2.gz GOOKKSFCOCGMBS-RHSMWYFYSA-N 0 3 361.467 0.764 20 30 FCEDHN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCNC(C)(C)C1 ZINC000122675031 488580272 /nfs/dbraw/zinc/58/02/72/488580272.db2.gz YKDSNHNHABOVKB-GFCCVEGCSA-N 0 3 350.444 0.435 20 30 FCEDHN CN(C)CCn1c2cc(NC[C@H](O)CN(C)CCC#N)ccc2oc1=O ZINC000563004266 491207257 /nfs/dbraw/zinc/20/72/57/491207257.db2.gz DFGYJTUFKBVLDP-HNNXBMFYSA-N 0 3 361.446 0.774 20 30 FCEDHN C=CCN(CC=C)[C@H](CNC(=O)NCCN1CCNC(=O)C1)C(C)C ZINC000272753498 488603195 /nfs/dbraw/zinc/60/31/95/488603195.db2.gz FDXAPEQBALXUHR-MRXNPFEDSA-N 0 3 351.495 0.416 20 30 FCEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1nnnn1-c1c(C)cccc1C ZINC000131407341 488645421 /nfs/dbraw/zinc/64/54/21/488645421.db2.gz PPQDTRMZCOHHDJ-CYBMUJFWSA-N 0 3 363.443 0.885 20 30 FCEDHN CN1CCC[C@@H]1C(=O)N1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000141462523 488688073 /nfs/dbraw/zinc/68/80/73/488688073.db2.gz LQMNMXSWADFVEU-SJORKVTESA-N 0 3 355.442 0.323 20 30 FCEDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CNc2ccc(C#N)cc2)CC1 ZINC000153043366 488726429 /nfs/dbraw/zinc/72/64/29/488726429.db2.gz WRTSUKARGKXBTA-KRWDZBQOSA-N 0 3 355.442 0.735 20 30 FCEDHN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000159905888 488788089 /nfs/dbraw/zinc/78/80/89/488788089.db2.gz JWURHPWZCMHNNC-UKRRQHHQSA-N 0 3 364.471 0.778 20 30 FCEDHN CCOC(=O)CON=C(C(=O)N(C)C[C@@H]1CCCN(C)C1)c1ccn[nH]1 ZINC000278102414 488800674 /nfs/dbraw/zinc/80/06/74/488800674.db2.gz ZNMAEFZZIISIRT-MMOSJZJFSA-N 0 3 365.434 0.494 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)NCCC(=O)N2CCN(C)CC2)CC1 ZINC000171596093 488824167 /nfs/dbraw/zinc/82/41/67/488824167.db2.gz GVHNARSGTPJHIU-UHFFFAOYSA-N 0 3 351.495 0.490 20 30 FCEDHN CN(C)CCNC(=O)Cn1cc(NC(=O)c2cccc(CC#N)c2)cn1 ZINC000172709257 488837194 /nfs/dbraw/zinc/83/71/94/488837194.db2.gz CWMRKRXFAZEJNO-UHFFFAOYSA-N 0 3 354.414 0.879 20 30 FCEDHN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1CCCC1 ZINC000178294826 488860206 /nfs/dbraw/zinc/86/02/06/488860206.db2.gz QULUYXPBEUZUKA-ZDUSSCGKSA-N 0 3 350.444 0.437 20 30 FCEDHN COCCN1CCC(NC(=O)N[C@H]2CCO[C@@H]2c2nccn2C)CC1 ZINC000329143993 488973825 /nfs/dbraw/zinc/97/38/25/488973825.db2.gz VZZSJWCTIBONBN-GJZGRUSLSA-N 0 3 351.451 0.865 20 30 FCEDHN CC[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(=O)N1CCOCC1 ZINC000279912774 488974701 /nfs/dbraw/zinc/97/47/01/488974701.db2.gz FAABVQIGLARVRZ-DLBZAZTESA-N 0 3 354.410 0.994 20 30 FCEDHN CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000329194798 488979504 /nfs/dbraw/zinc/97/95/04/488979504.db2.gz SCZFYYMPASNKRO-KBMXLJTQSA-N 0 3 350.463 0.849 20 30 FCEDHN CN(C)C[C@H]1CN(C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CCO1 ZINC000329328382 488994504 /nfs/dbraw/zinc/99/45/04/488994504.db2.gz XRQZMOAVNJXLJE-KGLIPLIRSA-N 0 3 374.507 0.119 20 30 FCEDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000329533119 489013652 /nfs/dbraw/zinc/01/36/52/489013652.db2.gz KFFBGVQONCUAPB-QLFBSQMISA-N 0 3 358.508 0.741 20 30 FCEDHN Cn1cc(N2CC[C@@H](NC(=O)C(C#N)Cc3ccc(C#N)cc3)C2=O)cn1 ZINC000280555397 489018080 /nfs/dbraw/zinc/01/80/80/489018080.db2.gz UOWVHIFYKHNPNT-NVXWUHKLSA-N 0 3 362.393 0.896 20 30 FCEDHN C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C1=CCN(C)CC1 ZINC000329712903 489029577 /nfs/dbraw/zinc/02/95/77/489029577.db2.gz QSJQLLSRMTWDNP-DOTOQJQBSA-N 0 3 363.506 0.789 20 30 FCEDHN CO[C@@H]1COC[C@H]1n1cc(CNC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)nn1 ZINC000329757224 489033666 /nfs/dbraw/zinc/03/36/66/489033666.db2.gz ZHCHTOAXIHOQOA-LCGIIJARSA-N 0 3 364.450 0.304 20 30 FCEDHN C[C@H](CNC(=O)NCc1nnc2n1CCCCC2)CN1CCN(C)CC1 ZINC000329774465 489034820 /nfs/dbraw/zinc/03/48/20/489034820.db2.gz MFXWOQQOJGEYGU-OAHLLOKOSA-N 0 3 363.510 0.892 20 30 FCEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000329816394 489038839 /nfs/dbraw/zinc/03/88/39/489038839.db2.gz VWSLRNSXEXEZDB-CJNGLKHVSA-N 0 3 351.495 0.525 20 30 FCEDHN C[C@H](Cn1cncn1)NC(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000329830452 489039798 /nfs/dbraw/zinc/03/97/98/489039798.db2.gz JTEYCJLFNTXXGX-MRXNPFEDSA-N 0 3 363.510 0.930 20 30 FCEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCN2CCC[C@@H]2C(N)=O)cc1 ZINC000280911583 489040707 /nfs/dbraw/zinc/04/07/07/489040707.db2.gz NQMXDCYVWLCUCH-IAGOWNOFSA-N 0 3 353.426 0.697 20 30 FCEDHN COCCN1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)C1 ZINC000329915365 489049255 /nfs/dbraw/zinc/04/92/55/489049255.db2.gz YGNHWQDJPJAPPQ-JJRVBVJISA-N 0 3 363.462 0.925 20 30 FCEDHN COCc1nc2n(n1)C[C@H](NC(=O)NC[C@@H]1CCc3nccn3C1)CC2 ZINC000329916554 489049583 /nfs/dbraw/zinc/04/95/83/489049583.db2.gz YWUQANDDXZYUIX-QWHCGFSZSA-N 0 3 359.434 0.702 20 30 FCEDHN 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C#CCNC(=O)C1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000771755909 1200630915 /nfs/dbraw/zinc/63/09/15/1200630915.db2.gz KGSWSLAKFMPHEK-IBGZPJMESA-N 0 3 370.497 0.867 20 30 FCEDHN CC(C)[C@@H](C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O)N1CCCC1 ZINC001090432401 1200697389 /nfs/dbraw/zinc/69/73/89/1200697389.db2.gz DDJKMPCGAKQAQX-OAGGEKHMSA-N 0 3 358.446 0.134 20 30 FCEDHN CC(C)[C@@H](C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O)N1CCCC1 ZINC001090432967 1200704706 /nfs/dbraw/zinc/70/47/06/1200704706.db2.gz KRJDNWNMGLQUQW-CPUCHLNUSA-N 0 3 358.446 0.134 20 30 FCEDHN CC(C)[C@@H](C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O)N1CCCC1 ZINC001090433350 1200707578 /nfs/dbraw/zinc/70/75/78/1200707578.db2.gz PKQGCIIHBOCPTR-ZACQAIPSSA-N 0 3 357.458 0.739 20 30 FCEDHN N#CC(C(=O)Cc1nc2ncccn2n1)C(=O)NCc1ccc(F)cc1F ZINC000786563927 1200842822 /nfs/dbraw/zinc/84/28/22/1200842822.db2.gz XDCSDZLDWZNFGR-GFCCVEGCSA-N 0 3 370.319 0.970 20 30 FCEDHN C[C@H]1CCCN(CCNC(=O)C(=O)NCCNc2ncccc2C#N)C1 ZINC000787672936 1200895889 /nfs/dbraw/zinc/89/58/89/1200895889.db2.gz XBLWYZPOZINAPZ-AWEZNQCLSA-N 0 3 358.446 0.329 20 30 FCEDHN CC(C)[C@@H](C(=O)N[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@@H]1O)N(C)C ZINC001219842353 1224650283 /nfs/dbraw/zinc/65/02/83/1224650283.db2.gz MVJIFYBSDDQGMW-SQNIBIBYSA-N 0 3 362.449 0.945 20 30 FCEDHN CCOCCCNC(=O)C(C#N)C(=O)C1CCN(c2cnccn2)CC1 ZINC000747107407 1201228907 /nfs/dbraw/zinc/22/89/07/1201228907.db2.gz DGHUAMUAQWXRER-HNNXBMFYSA-N 0 3 359.430 0.945 20 30 FCEDHN CC(C)Nc1nc(NCCO)nc(NCCNc2ncccc2C#N)n1 ZINC000804375050 1201296198 /nfs/dbraw/zinc/29/61/98/1201296198.db2.gz KSMATWCVKNNAPN-UHFFFAOYSA-N 0 3 357.422 0.887 20 30 FCEDHN C=CCCCCCN1C[C@@H](NC(=O)Cn2cncn2)[C@@H](n2ccnn2)C1 ZINC001129422764 1201303469 /nfs/dbraw/zinc/30/34/69/1201303469.db2.gz WKEYQXTZPODRST-CVEARBPZSA-N 0 3 358.450 0.658 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)[C@H]2CN(CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001129441289 1201318286 /nfs/dbraw/zinc/31/82/86/1201318286.db2.gz PSKCQUZNYCZEDH-IXDOHACOSA-N 0 3 362.478 0.307 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)COC[C@@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001129496786 1201336027 /nfs/dbraw/zinc/33/60/27/1201336027.db2.gz TWCUEULPJQNFPU-BBWFWOEESA-N 0 3 363.462 0.781 20 30 FCEDHN C=CCCC(=O)N1C[C@@H](NCCn2nc(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001129667245 1201364649 /nfs/dbraw/zinc/36/46/49/1201364649.db2.gz SIQFTZMMHJXGTN-CVEARBPZSA-N 0 3 358.450 0.494 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2cn(C)nc2C)C[C@@H]1n1ccnn1 ZINC001129691473 1201371892 /nfs/dbraw/zinc/37/18/92/1201371892.db2.gz XHVZYOLKWFFHBT-CVEARBPZSA-N 0 3 359.434 0.178 20 30 FCEDHN C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCCO[C@H]1c1cnn(C)c1 ZINC001129787435 1201396257 /nfs/dbraw/zinc/39/62/57/1201396257.db2.gz NDVUKGUYSGYTGV-BMFZPTHFSA-N 0 3 363.462 0.284 20 30 FCEDHN CC[C@@H]1CCO[C@@H]1C(=O)NCCNCC(=O)NCC#Cc1ccccc1 ZINC001129886500 1201412832 /nfs/dbraw/zinc/41/28/32/1201412832.db2.gz IUKPSRDEZDOVGY-MJGOQNOKSA-N 0 3 357.454 0.675 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)[C@H]2OCC[C@H]2CC)C[C@@H]1n1ccnn1 ZINC001129900082 1201432950 /nfs/dbraw/zinc/43/29/50/1201432950.db2.gz ZUYIGQFRHLULBO-NCOADZHNSA-N 0 3 363.462 0.637 20 30 FCEDHN C#CCC[NH2+][C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@@H]1n1ccnn1 ZINC001129920956 1201442453 /nfs/dbraw/zinc/44/24/53/1201442453.db2.gz HQNDMBUTWHSAMO-CVEARBPZSA-N 0 3 369.429 0.080 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)CC2=CCOCC2)C[C@@H]1n1ccnn1 ZINC001129994626 1201465274 /nfs/dbraw/zinc/46/52/74/1201465274.db2.gz YJTLKHWUUKOCEH-SJORKVTESA-N 0 3 361.446 0.559 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2cc(C)nc(C)n2)C[C@@H]1n1ccnn1 ZINC001130038233 1201483030 /nfs/dbraw/zinc/48/30/30/1201483030.db2.gz SYQVMUUQLDKMQN-SJORKVTESA-N 0 3 371.445 0.543 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CNC(=O)C2CCCCC2)C[C@@H]1n1ccnn1 ZINC001130111644 1201504549 /nfs/dbraw/zinc/50/45/49/1201504549.db2.gz JNBWJOKXCFSBKR-CVEARBPZSA-N 0 3 360.462 0.502 20 30 FCEDHN C=CC[C@H](C(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1)c1ccccc1 ZINC001130132901 1201512994 /nfs/dbraw/zinc/51/29/94/1201512994.db2.gz VRCURHINGMSXTN-KSZLIROESA-N 0 3 355.442 0.972 20 30 FCEDHN C=CCO[C@@H](C)C(=O)N1C[C@@H](NCCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001130150835 1201516699 /nfs/dbraw/zinc/51/66/99/1201516699.db2.gz BPLXCIYIHNLOLQ-UAGQMJEPSA-N 0 3 363.462 0.637 20 30 FCEDHN C=CCCOCC(=O)N1C[C@@H](NCCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001130151531 1201517481 /nfs/dbraw/zinc/51/74/81/1201517481.db2.gz VVQZNTKLBYPWGP-SJORKVTESA-N 0 3 363.462 0.639 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=Cc2ccco2)[n-]1 ZINC001130177565 1201522050 /nfs/dbraw/zinc/52/20/50/1201522050.db2.gz HYYCVMVCUPOYKC-WHJWBVKISA-N 0 3 355.398 0.823 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCOCC)[n-]1 ZINC001130187742 1201528309 /nfs/dbraw/zinc/52/83/09/1201528309.db2.gz HBSMGNSZYOIGKP-GJZGRUSLSA-N 0 3 363.462 0.723 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCCOC2)[n-]1 ZINC001130193222 1201531061 /nfs/dbraw/zinc/53/10/61/1201531061.db2.gz NEWLNSNWXLXOKI-KKUMJFAQSA-N 0 3 361.446 0.333 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c(C)ccn2C)[n-]1 ZINC001130205043 1201540708 /nfs/dbraw/zinc/54/07/08/1201540708.db2.gz QNKKRVVLFZDGRQ-GJZGRUSLSA-N 0 3 370.457 0.867 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=Cc2ccc[nH]2)[n-]1 ZINC001130205325 1201541018 /nfs/dbraw/zinc/54/10/18/1201541018.db2.gz VXPXGXIWNAEFFU-WHJWBVKISA-N 0 3 354.414 0.558 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](OCC)C2CC2)[n-]1 ZINC001130213066 1201544679 /nfs/dbraw/zinc/54/46/79/1201544679.db2.gz RWVZDYNBJGXWEE-DZKIICNBSA-N 0 3 361.446 0.331 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2cccnc2)[n-]1 ZINC001130200086 1201547630 /nfs/dbraw/zinc/54/76/30/1201547630.db2.gz ADWMVQRJIYBHHF-HOTGVXAUSA-N 0 3 368.441 0.544 20 30 FCEDHN C[C@@H](C#N)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]Cc2ccccn2)[n-]1 ZINC001130202948 1201549733 /nfs/dbraw/zinc/54/97/33/1201549733.db2.gz PCJZKZIGZRYWTG-QEJZJMRPSA-N 0 3 369.429 0.638 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCc2ccncc2)[n-]1 ZINC001130220824 1201551052 /nfs/dbraw/zinc/55/10/52/1201551052.db2.gz NBMWNMMWIJJGKD-HOTGVXAUSA-N 0 3 368.441 0.544 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cn(C)nc2CC)[n-]1 ZINC001130223127 1201552297 /nfs/dbraw/zinc/55/22/97/1201552297.db2.gz NHTGKVGMJMIJHM-WFASDCNBSA-N 0 3 371.445 0.126 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C(C)C)n[nH]2)[n-]1 ZINC001130240337 1201554878 /nfs/dbraw/zinc/55/48/78/1201554878.db2.gz OPCWDISVEIAUBP-WFASDCNBSA-N 0 3 371.445 0.677 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](CC(C)C)OC)[n-]1 ZINC001130232500 1201557193 /nfs/dbraw/zinc/55/71/93/1201557193.db2.gz IYYHCYAFNQEBAT-KKUMJFAQSA-N 0 3 363.462 0.577 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2OCC[C@H]2C)[n-]1 ZINC001130237982 1201560850 /nfs/dbraw/zinc/56/08/50/1201560850.db2.gz NFCXESOXHQAUPJ-HOSILWTGSA-N 0 3 361.446 0.331 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)c2c[nH]cn2)[n-]1 ZINC001130246376 1201565945 /nfs/dbraw/zinc/56/59/45/1201565945.db2.gz INYQGJXBLYJZEV-STQMWFEESA-N 0 3 371.445 0.217 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCn2ccnc2)CC1 ZINC001130293542 1201579525 /nfs/dbraw/zinc/57/95/25/1201579525.db2.gz ZHMXCPIWLWCMSW-XLIONFOSSA-N 0 3 371.485 0.772 20 30 FCEDHN C=CC[C@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)c1ccncc1 ZINC000805809908 1201587743 /nfs/dbraw/zinc/58/77/43/1201587743.db2.gz ZROKEFCWHLFERN-KRWDZBQOSA-N 0 3 373.501 0.957 20 30 FCEDHN COCC#CCN[C@@H]1CN(C(=O)CCc2c[nH]cn2)C[C@H]1c1cn(C)cn1 ZINC001130605159 1202733300 /nfs/dbraw/zinc/73/33/00/1202733300.db2.gz WQQQVLTZYKBYFD-FUHWJXTLSA-N 0 3 370.457 0.310 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@H]2CCc3cncn3C2)C[C@H]1c1cn(C)cn1 ZINC001130616805 1202737195 /nfs/dbraw/zinc/73/71/95/1202737195.db2.gz CFUMXGBXSDKDDY-VDZJLULYSA-N 0 3 366.469 0.787 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@H]2CCc3nccn3C2)C[C@H]1c1cn(C)cn1 ZINC001130619482 1202737704 /nfs/dbraw/zinc/73/77/04/1202737704.db2.gz TVOAMMILSIONTF-XYJFISCASA-N 0 3 366.469 0.787 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CNC(=O)c2ccco2)C[C@H]1c1cn(C)cn1 ZINC001130725946 1202767355 /nfs/dbraw/zinc/76/73/55/1202767355.db2.gz HZWUTORMUKVPRO-DZGCQCFKSA-N 0 3 357.414 0.513 20 30 FCEDHN C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC)n[n-]2)O1 ZINC001130754984 1202773184 /nfs/dbraw/zinc/77/31/84/1202773184.db2.gz SCXDQGOHUKLHQR-RWMBFGLXSA-N 0 3 364.450 0.331 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)n3cccn3)n[n-]2)O1 ZINC001130762357 1202778811 /nfs/dbraw/zinc/77/88/11/1202778811.db2.gz RLGROWHMILOGQL-HZSPNIEDSA-N 0 3 357.418 0.322 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@@H](C)n3cccn3)n2)O1 ZINC001130762357 1202778814 /nfs/dbraw/zinc/77/88/14/1202778814.db2.gz RLGROWHMILOGQL-HZSPNIEDSA-N 0 3 357.418 0.322 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnn(C)c3)n[n-]2)O1 ZINC001130756654 1202779802 /nfs/dbraw/zinc/77/98/02/1202779802.db2.gz SUFMMJOJKNFRCW-UONOGXRCSA-N 0 3 357.418 0.301 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cnn(C)c3)n2)O1 ZINC001130756654 1202779805 /nfs/dbraw/zinc/77/98/05/1202779805.db2.gz SUFMMJOJKNFRCW-UONOGXRCSA-N 0 3 357.418 0.301 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(C)nc3)n[n-]2)O1 ZINC001130759645 1202781595 /nfs/dbraw/zinc/78/15/95/1202781595.db2.gz CRISWTOJGBUPDS-LSDHHAIUSA-N 0 3 354.414 0.881 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3ccc(C)nc3)n2)O1 ZINC001130759645 1202781599 /nfs/dbraw/zinc/78/15/99/1202781599.db2.gz CRISWTOJGBUPDS-LSDHHAIUSA-N 0 3 354.414 0.881 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)OCC(C)C)n[n-]2)O1 ZINC001130765617 1202784706 /nfs/dbraw/zinc/78/47/06/1202784706.db2.gz ZTEPYLIWQSCDAS-QLFBSQMISA-N 0 3 363.462 0.925 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@@H](C)OCC(C)C)n2)O1 ZINC001130765617 1202784711 /nfs/dbraw/zinc/78/47/11/1202784711.db2.gz ZTEPYLIWQSCDAS-QLFBSQMISA-N 0 3 363.462 0.925 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC3(COC)CC3)n[n-]2)O1 ZINC001130780765 1202792647 /nfs/dbraw/zinc/79/26/47/1202792647.db2.gz BAMUEAJLAAISFG-UONOGXRCSA-N 0 3 361.446 0.681 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)CC3(COC)CC3)n2)O1 ZINC001130780765 1202792650 /nfs/dbraw/zinc/79/26/50/1202792650.db2.gz BAMUEAJLAAISFG-UONOGXRCSA-N 0 3 361.446 0.681 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(C)nn3)n[n-]2)O1 ZINC001130781095 1202793323 /nfs/dbraw/zinc/79/33/23/1202793323.db2.gz OARLOYOMYCFMAF-DZGCQCFKSA-N 0 3 369.429 0.666 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3ccc(C)nn3)n2)O1 ZINC001130781095 1202793324 /nfs/dbraw/zinc/79/33/24/1202793324.db2.gz OARLOYOMYCFMAF-DZGCQCFKSA-N 0 3 369.429 0.666 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3ccnn3C)n[n-]2)O1 ZINC001130781302 1202793344 /nfs/dbraw/zinc/79/33/44/1202793344.db2.gz 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CCCCCCCN1C[C@@H](NC(=O)CNC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129038065 1259296362 /nfs/dbraw/zinc/29/63/62/1259296362.db2.gz NOIIXCZECDQQNK-CABCVRRESA-N 0 3 365.482 0.519 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)c2cnn3ncccc23)[C@@H](n2ccnn2)C1 ZINC001129048771 1259299014 /nfs/dbraw/zinc/29/90/14/1259299014.db2.gz JJCPYORGBBELRH-WBVHZDCISA-N 0 3 366.429 0.942 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)c2ccc3nnnn3c2)[C@@H](n2ccnn2)C1 ZINC001129098332 1259313683 /nfs/dbraw/zinc/31/36/83/1259313683.db2.gz ICWURQUJKBTCKN-CABCVRRESA-N 0 3 367.417 0.337 20 30 FCEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@@H](C)CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129154314 1259332692 /nfs/dbraw/zinc/33/26/92/1259332692.db2.gz OWCAGXDHUIAABR-XHSDSOJGSA-N 0 3 362.478 0.878 20 30 FCEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)C2(C(=O)NC)CC2)[C@@H](n2ccnn2)C1 ZINC001129317295 1259373988 /nfs/dbraw/zinc/37/39/88/1259373988.db2.gz UKDYFTZXKOAZAP-KFWWJZLASA-N 0 3 360.462 0.501 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(=O)[nH]c2)[n-]1 ZINC001130249313 1259375506 /nfs/dbraw/zinc/37/55/06/1259375506.db2.gz XMZFBFGTKHFHHM-KBPBESRZSA-N 0 3 370.413 0.321 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@@H](CNCC(=O)NC(C)C)C1 ZINC001200537151 1259415939 /nfs/dbraw/zinc/41/59/39/1259415939.db2.gz MJESIXKVNDKJOQ-BBWFWOEESA-N 0 3 367.490 0.699 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@@H](CNCC(=O)N(C)CC)C1 ZINC001200537392 1259416259 /nfs/dbraw/zinc/41/62/59/1259416259.db2.gz OQPYUJPLCNWAEI-BBWFWOEESA-N 0 3 367.490 0.653 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(=O)[nH]c(C3CC3)c2)C[C@H]1C ZINC001214835093 1259534057 /nfs/dbraw/zinc/53/40/57/1259534057.db2.gz ADMUPTAKRPMGQA-MLGOLLRUSA-N 0 3 356.426 0.464 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cccc2c[nH]nc21 ZINC001227869860 1259542175 /nfs/dbraw/zinc/54/21/75/1259542175.db2.gz LPLGBDYXGKEMID-HUUCEWRRSA-N 0 3 354.414 0.833 20 30 FCEDHN CCCCCCCC[C@@H](O)CNCC(=O)NCC(=O)NCC(=O)OCC ZINC001252140971 1259778786 /nfs/dbraw/zinc/77/87/86/1259778786.db2.gz WGSJYQVHOKLMRO-OAHLLOKOSA-N 0 3 373.494 0.483 20 30 FCEDHN C=CCOC[C@@H](O)CN1CC[C@]2(C1)COCc1c(C)nc(N(C)C)nc12 ZINC001252462128 1259790550 /nfs/dbraw/zinc/79/05/50/1259790550.db2.gz CRYIEIOWRKMDTQ-KXBFYZLASA-N 0 3 362.474 0.888 20 30 FCEDHN C=CCOC[C@H](O)CN1CCc2ncnc(N3CCN(C)CC3)c2CC1 ZINC001252466168 1259792241 /nfs/dbraw/zinc/79/22/41/1259792241.db2.gz MXMVHSPHUGIIGN-MRXNPFEDSA-N 0 3 361.490 0.193 20 30 FCEDHN C=C[C@@H](O)CN1CCN(C(=O)Nc2ccccc2)C[C@]2(CNC(=O)C2)C1 ZINC001253577516 1259843287 /nfs/dbraw/zinc/84/32/87/1259843287.db2.gz WAAHFOATCGQEOL-VQIMIIECSA-N 0 3 358.442 0.889 20 30 FCEDHN COCCN1CCC(NC(=O)C(=O)NCc2cccc(OCC#N)c2)CC1 ZINC001257352695 1260010658 /nfs/dbraw/zinc/01/06/58/1260010658.db2.gz CXLPNSDSBSPMRZ-UHFFFAOYSA-N 0 3 374.441 0.432 20 30 FCEDHN CN(CCC#N)C[C@@H](O)CN[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC001336793362 1260224598 /nfs/dbraw/zinc/22/45/98/1260224598.db2.gz BYIPHAHIZPDBQC-OALUTQOASA-N 0 3 374.485 0.252 20 30 FCEDHN C=CCNC(=O)[C@@H]1CC12CCN(C(=O)CCCN1CCN(C)CC1)CC2 ZINC001272633371 1260468318 /nfs/dbraw/zinc/46/83/18/1260468318.db2.gz TWHMDLFMXRWLHM-KRWDZBQOSA-N 0 3 362.518 0.945 20 30 FCEDHN CCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCN(CC)CC1 ZINC001306217153 1263181228 /nfs/dbraw/zinc/18/12/28/1263181228.db2.gz VGTNEVCHGWXAHL-INIZCTEOSA-N 0 3 361.494 0.597 20 30 FCEDHN CCOC(=O)c1c(NC(=O)NCCN(CC)CCO)c(C#N)cn1CC ZINC001310892873 1263242634 /nfs/dbraw/zinc/24/26/34/1263242634.db2.gz HRLAIMCSAFGECI-UHFFFAOYSA-N 0 3 365.434 0.992 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2c[nH]nc2C(C)(C)C)C[C@H]1C ZINC001316596953 1263384199 /nfs/dbraw/zinc/38/41/99/1263384199.db2.gz DFWYUUYGYRTKKW-VNHYZAJKSA-N 0 3 359.474 0.895 20 30 FCEDHN N#CCOc1cccc(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC001322808694 1264271869 /nfs/dbraw/zinc/27/18/69/1264271869.db2.gz IWVFVAMOKWYOOX-NVXWUHKLSA-N 0 3 372.425 0.185 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC(Cn3ccnn3)CC2)CC1 ZINC001323249365 1264376963 /nfs/dbraw/zinc/37/69/63/1264376963.db2.gz ZCOMIBMHLQKPRK-UHFFFAOYSA-N 0 3 360.462 0.283 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H]2C[C@H](OCC)[C@]23CCCO3)CC1 ZINC001323246383 1264377585 /nfs/dbraw/zinc/37/75/85/1264377585.db2.gz MMLKIUOTNAKHSB-GJYPPUQNSA-N 0 3 365.474 0.596 20 30 FCEDHN N#CCCCNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001323449471 1264431970 /nfs/dbraw/zinc/43/19/70/1264431970.db2.gz DUOMPBUNCBZSID-KRWDZBQOSA-N 0 3 358.442 0.814 20 30 FCEDHN N#C[C@@H]1CN(C(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)CCO1 ZINC001323949880 1264547198 /nfs/dbraw/zinc/54/71/98/1264547198.db2.gz IEWAZNIVBPPFQM-MRXNPFEDSA-N 0 3 362.474 0.900 20 30 FCEDHN C=C[C@@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001325100228 1264775565 /nfs/dbraw/zinc/77/55/65/1264775565.db2.gz QVLIVSYRERRHPC-CVEARBPZSA-N 0 3 362.474 0.319 20 30 FCEDHN C[C@H](CNC(=O)C(=O)NCc1ccc(C#N)cc1)CN1CCN(C)CC1 ZINC001327694317 1265396300 /nfs/dbraw/zinc/39/63/00/1265396300.db2.gz CBIUTSJUTMFFEI-OAHLLOKOSA-N 0 3 357.458 0.174 20 30 FCEDHN CN1CCCC[C@H]1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC001338295912 1267902843 /nfs/dbraw/zinc/90/28/43/1267902843.db2.gz WBWSMRZQKPYKLE-LBPRGKRZSA-N 0 3 350.444 0.326 20 30 FCEDHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)(C)CC#N)n2C)CC1 ZINC001338395278 1267929323 /nfs/dbraw/zinc/92/93/23/1267929323.db2.gz PREAWCYUUZARRV-UHFFFAOYSA-N 0 3 361.494 0.997 20 30 FCEDHN C=CCn1c([C@@H](C)O)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001338943511 1268126296 /nfs/dbraw/zinc/12/62/96/1268126296.db2.gz AKOCVUMEEHHWEC-CQSZACIVSA-N 0 3 350.467 0.508 20 30 FCEDHN C=CCn1c(C[C@H](C)O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001338952905 1268129017 /nfs/dbraw/zinc/12/90/17/1268129017.db2.gz OYLYXPVNRRPPCP-GJZGRUSLSA-N 0 3 362.478 0.130 20 30 FCEDHN C=CCn1c(-c2cc(=O)[nH]c(=O)[nH]2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001338963808 1268131030 /nfs/dbraw/zinc/13/10/30/1268131030.db2.gz QYCVNUWTRSZQRR-VXGBXAGGSA-N 0 3 359.434 0.812 20 30 FCEDHN C=CCn1c(Cc2nnc(C)[nH]2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001339022063 1268152498 /nfs/dbraw/zinc/15/24/98/1268152498.db2.gz KVFSMLSBCJRYMO-UHFFFAOYSA-N 0 3 372.477 0.782 20 30 FCEDHN C=CCn1c(N2CCN(C[C@@H]3CCOC3)CC2)nnc1[C@](C)(O)COC ZINC001339096985 1268166844 /nfs/dbraw/zinc/16/68/44/1268166844.db2.gz KSNVKBOZCYXGOO-MAUKXSAKSA-N 0 3 365.478 0.477 20 30 FCEDHN C=CCn1c(N2CCN(C[C@H]3CCOC3)CC2)nnc1[C@@](C)(O)COC ZINC001339096987 1268167096 /nfs/dbraw/zinc/16/70/96/1268167096.db2.gz KSNVKBOZCYXGOO-QAPCUYQASA-N 0 3 365.478 0.477 20 30 FCEDHN C=CCn1c(Cn2cc(CCO)nn2)nnc1N1CCN([C@H](C)CC)CC1 ZINC001339261629 1268197539 /nfs/dbraw/zinc/19/75/39/1268197539.db2.gz DVQVYEDMXSSODA-OAHLLOKOSA-N 0 3 374.493 0.559 20 30 FCEDHN C=CCn1c([C@H](O)COC)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001339266012 1268199372 /nfs/dbraw/zinc/19/93/72/1268199372.db2.gz HQDRTXBCHSNTMU-MRXNPFEDSA-N 0 3 365.478 0.693 20 30 FCEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001339483725 1268248883 /nfs/dbraw/zinc/24/88/83/1268248883.db2.gz KBMCXCASLVQXQU-AWEZNQCLSA-N 0 3 362.478 0.744 20 30 FCEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CC[C@H](CS(N)(=O)=O)C1 ZINC001339484784 1268249738 /nfs/dbraw/zinc/24/97/38/1268249738.db2.gz QIVZRXSTUWCLRT-KBPBESRZSA-N 0 3 368.507 0.388 20 30 FCEDHN C=CCn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1C1(O)CC1 ZINC001340342424 1268516833 /nfs/dbraw/zinc/51/68/33/1268516833.db2.gz OIDBMPRKMQCSPR-CQSZACIVSA-N 0 3 360.462 0.188 20 30 FCEDHN C=CCn1c(N2CCN(C3CCOCC3)CC2)nnc1[C@](C)(O)COC ZINC001340472253 1268559891 /nfs/dbraw/zinc/55/98/91/1268559891.db2.gz FEBZFMBSXMSGIA-GOSISDBHSA-N 0 3 365.478 0.619 20 30 FCEDHN C=C(C)Cn1c(C2CCN(CCO)CC2)nnc1N1CCO[C@H](C#N)C1 ZINC001342227734 1269404267 /nfs/dbraw/zinc/40/42/67/1269404267.db2.gz WKGALCFYTTXVMS-MRXNPFEDSA-N 0 3 360.462 0.755 20 30 FCEDHN COCCCNC(=O)C(C#N)C(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC001342597015 1269531947 /nfs/dbraw/zinc/53/19/47/1269531947.db2.gz GDKHBAIRICANDB-ZIAGYGMSSA-N 0 3 364.423 0.809 20 30 FCEDHN N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001343473181 1269918047 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/nfs/dbraw/zinc/69/17/88/1271691788.db2.gz XJFZMTSYTLPKTE-MRXNPFEDSA-N 0 3 360.462 0.238 20 30 FCEDHN C=CC(C)(C)CC(=O)N1CC[C@H]2[C@H](CCN2CC(=O)NCc2cn[nH]n2)C1 ZINC001575066437 1271706747 /nfs/dbraw/zinc/70/67/47/1271706747.db2.gz SPENPSXRAXVUQL-ZBFHGGJFSA-N 0 3 374.489 0.946 20 30 FCEDHN C=CC(C)(C)CC(=O)N1CC[C@H]2[C@H](CCN2CC(=O)NCc2c[nH]nn2)C1 ZINC001575066437 1271706751 /nfs/dbraw/zinc/70/67/51/1271706751.db2.gz SPENPSXRAXVUQL-ZBFHGGJFSA-N 0 3 374.489 0.946 20 30 FCEDHN C=CCC1(C(=O)NC[C@@H]2CN(CC(=O)NCc3c[nH]nn3)C[C@H]2C)CCC1 ZINC001575084805 1271713527 /nfs/dbraw/zinc/71/35/27/1271713527.db2.gz DHHJUWZBAWCYSY-HUUCEWRRSA-N 0 3 374.489 0.851 20 30 FCEDHN C=CCNC(=O)[C@H](C)N1CCC(N(Cc2c[nH]nn2)C(=O)[C@@H]2C[C@H]2C)CC1 ZINC001575103544 1271718701 /nfs/dbraw/zinc/71/87/01/1271718701.db2.gz GBUOEEXVRAEXJW-JKIFEVAISA-N 0 3 374.489 0.944 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N1CCC(N(C)C(=O)CCCc2cn[nH]n2)CC1 ZINC001575103481 1271720005 /nfs/dbraw/zinc/72/00/05/1271720005.db2.gz DLTGZDCXGGVVIE-CQSZACIVSA-N 0 3 362.478 0.741 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N1CCC(N(C)C(=O)CCCc2c[nH]nn2)CC1 ZINC001575103481 1271720009 /nfs/dbraw/zinc/72/00/09/1271720009.db2.gz DLTGZDCXGGVVIE-CQSZACIVSA-N 0 3 362.478 0.741 20 30 FCEDHN C=CCNC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1ccc(-c2c[nH]nn2)cn1 ZINC001575104748 1271720757 /nfs/dbraw/zinc/72/07/57/1271720757.db2.gz VRBXFCFDTMASLP-NWDGAFQWSA-N 0 3 357.418 0.265 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)CNC(=O)c1ccc(-c2cn[nH]n2)nc1 ZINC001575105013 1271721954 /nfs/dbraw/zinc/72/19/54/1271721954.db2.gz ZMFRDFVNPKAROW-VXGBXAGGSA-N 0 3 357.418 0.265 20 30 FCEDHN C=CCN1CC[C@@H](NC[C@H](C)NC(=O)c2ccc(-c3c[nH]nn3)cc2)C1=O ZINC001575104405 1271722197 /nfs/dbraw/zinc/72/21/97/1271722197.db2.gz QPMAEMQDOISTHD-XJKSGUPXSA-N 0 3 368.441 0.967 20 30 FCEDHN C=CCOCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncc(-c2c[nH]nn2)c1 ZINC001575110101 1271723529 /nfs/dbraw/zinc/72/35/29/1271723529.db2.gz IXIALJOARLSGLD-QLPKVWCKSA-N 0 3 354.414 0.729 20 30 FCEDHN C[C@@H](C#N)C(=O)N(Cc1cn[nH]n1)C1CCN([C@H]2CCCN(C)C2=O)CC1 ZINC001575178603 1271766342 /nfs/dbraw/zinc/76/63/42/1271766342.db2.gz PJVBNHKRQLTMPK-BBRMVZONSA-N 0 3 373.461 0.378 20 30 FCEDHN C[C@@H](C(=O)NCc1cn[nH]n1)N1CCC(C)(CNC(=O)C#CC2CC2)CC1 ZINC001575221650 1271807065 /nfs/dbraw/zinc/80/70/65/1271807065.db2.gz UNOZIKNPJKKUOU-AWEZNQCLSA-N 0 3 372.473 0.441 20 30 FCEDHN C[C@@H](C(=O)NCc1c[nH]nn1)N1CCC(C)(CNC(=O)C#CC2CC2)CC1 ZINC001575221650 1271807086 /nfs/dbraw/zinc/80/70/86/1271807086.db2.gz UNOZIKNPJKKUOU-AWEZNQCLSA-N 0 3 372.473 0.441 20 30 FCEDHN COCC#CCN1CC[C@H](NC(=O)c2ccc(-c3cn[nH]n3)cc2)[C@@H](O)C1 ZINC001576951673 1273971085 /nfs/dbraw/zinc/97/10/85/1273971085.db2.gz CDUWLLOCHSMSCX-WMZOPIPTSA-N 0 3 369.425 0.287 20 30 FCEDHN COCC#CCN[C@]1(CO)CCCN(C(=O)CCCCc2c[nH]nn2)C1 ZINC001576954443 1273976334 /nfs/dbraw/zinc/97/63/34/1273976334.db2.gz XQEYETPCJNFMFX-GOSISDBHSA-N 0 3 363.462 0.110 20 30 FCEDHN CN1CCC([N@@H+]2CC[C@@H](Nc3cnc(-c4nnn[n-]4)c(C#N)n3)C2)CC1 ZINC001579350030 1277204917 /nfs/dbraw/zinc/20/49/17/1277204917.db2.gz WLEHWBAVAADYIE-LLVKDONJSA-N 0 3 354.422 0.109 20 30 FCEDHN CN1CCC([N@H+]2CC[C@@H](Nc3cnc(-c4nnn[n-]4)c(C#N)n3)C2)CC1 ZINC001579350030 1277204926 /nfs/dbraw/zinc/20/49/26/1277204926.db2.gz WLEHWBAVAADYIE-LLVKDONJSA-N 0 3 354.422 0.109 20 30 FCEDHN COC(=O)[C@@H]1CC[C@@H]1NC(=O)C(C#N)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579468099 1277365788 /nfs/dbraw/zinc/36/57/88/1277365788.db2.gz WQKIANHGZLTBDO-MJBXVCDLSA-N 0 3 354.370 0.617 20 30 FCEDHN COCC#CC[NH2+]CC[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001579617408 1277663564 /nfs/dbraw/zinc/66/35/64/1277663564.db2.gz CHUAICKXVAYYTG-CQSZACIVSA-N 0 3 371.445 0.677 20 30 FCEDHN COCC#CC[NH2+]CC[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579617408 1277663568 /nfs/dbraw/zinc/66/35/68/1277663568.db2.gz CHUAICKXVAYYTG-CQSZACIVSA-N 0 3 371.445 0.677 20 30 FCEDHN COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C12CCC2 ZINC001579618968 1277666504 /nfs/dbraw/zinc/66/65/04/1277666504.db2.gz NOEVPJFALHQMDI-LSDHHAIUSA-N 0 3 369.429 0.475 20 30 FCEDHN COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C12CCC2 ZINC001579618968 1277666508 /nfs/dbraw/zinc/66/65/08/1277666508.db2.gz NOEVPJFALHQMDI-LSDHHAIUSA-N 0 3 369.429 0.475 20 30 FCEDHN COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)C#N)cc1-c1nnn[n-]1 ZINC001580021108 1277992112 /nfs/dbraw/zinc/99/21/12/1277992112.db2.gz BBESYAHRTRBDLV-VXGBXAGGSA-N 0 3 357.418 0.971 20 30 FCEDHN COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)C#N)cc1-c1nn[n-]n1 ZINC001580021108 1277992113 /nfs/dbraw/zinc/99/21/13/1277992113.db2.gz BBESYAHRTRBDLV-VXGBXAGGSA-N 0 3 357.418 0.971 20 30 FCEDHN N#Cc1cc(F)c(S(=O)(=O)N2CCC3(CC2)CNCCO3)c(F)c1 ZINC001580060012 1278001258 /nfs/dbraw/zinc/00/12/58/1278001258.db2.gz PLJKDLUQLRXPOD-UHFFFAOYSA-N 0 3 357.382 0.980 20 30 FCEDHN C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001580280078 1278080198 /nfs/dbraw/zinc/08/01/98/1278080198.db2.gz VBNNEPXQBPORIR-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN COc1ccc(C#N)cc1CNC[C@H](O)CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001716094575 1287370369 /nfs/dbraw/zinc/37/03/69/1287370369.db2.gz AMZXXIZTOSDKIU-PCODUJHASA-N 0 3 373.453 0.949 20 30 FCEDHN C#CC[N@@H+](C)CCCNC(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC001588349758 1282443733 /nfs/dbraw/zinc/44/37/33/1282443733.db2.gz YFPHNXBXLGPBBF-UHFFFAOYSA-N 0 3 358.402 0.325 20 30 FCEDHN C#CC[N@H+](C)CCCNC(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC001588349758 1282443737 /nfs/dbraw/zinc/44/37/37/1282443737.db2.gz YFPHNXBXLGPBBF-UHFFFAOYSA-N 0 3 358.402 0.325 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588356497 1282461737 /nfs/dbraw/zinc/46/17/37/1282461737.db2.gz XVEFFHONRVTVDQ-AWEZNQCLSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588357152 1282463353 /nfs/dbraw/zinc/46/33/53/1282463353.db2.gz JIAHTOWKRJPJGM-IIAWOOMASA-N 0 3 368.441 0.889 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001588357152 1282463357 /nfs/dbraw/zinc/46/33/57/1282463357.db2.gz JIAHTOWKRJPJGM-IIAWOOMASA-N 0 3 368.441 0.889 20 30 FCEDHN C#CCO[C@H](C)C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588357998 1282466999 /nfs/dbraw/zinc/46/69/99/1282466999.db2.gz ODHKJAPIRAVEQE-QWHCGFSZSA-N 0 3 374.420 0.981 20 30 FCEDHN C#CCOCCC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588361254 1282481980 /nfs/dbraw/zinc/48/19/80/1282481980.db2.gz ILAGGKSYJZIVEC-OAHLLOKOSA-N 0 3 368.441 0.845 20 30 FCEDHN C#CCOCCC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588361254 1282481987 /nfs/dbraw/zinc/48/19/87/1282481987.db2.gz ILAGGKSYJZIVEC-OAHLLOKOSA-N 0 3 368.441 0.845 20 30 FCEDHN C#CCOCCC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001588361254 1282481997 /nfs/dbraw/zinc/48/19/97/1282481997.db2.gz ILAGGKSYJZIVEC-OAHLLOKOSA-N 0 3 368.441 0.845 20 30 FCEDHN C#CCOCCC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001588361254 1282482003 /nfs/dbraw/zinc/48/20/03/1282482003.db2.gz ILAGGKSYJZIVEC-OAHLLOKOSA-N 0 3 368.441 0.845 20 30 FCEDHN C=CCC[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588577728 1282571398 /nfs/dbraw/zinc/57/13/98/1282571398.db2.gz MBQNEHWNFVEHFC-SJKOYZFVSA-N 0 3 359.434 0.716 20 30 FCEDHN C=CCC[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588577728 1282571405 /nfs/dbraw/zinc/57/14/05/1282571405.db2.gz MBQNEHWNFVEHFC-SJKOYZFVSA-N 0 3 359.434 0.716 20 30 FCEDHN C=CCC[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588577728 1282571411 /nfs/dbraw/zinc/57/14/11/1282571411.db2.gz MBQNEHWNFVEHFC-SJKOYZFVSA-N 0 3 359.434 0.716 20 30 FCEDHN C=CCC[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588577728 1282571420 /nfs/dbraw/zinc/57/14/20/1282571420.db2.gz MBQNEHWNFVEHFC-SJKOYZFVSA-N 0 3 359.434 0.716 20 30 FCEDHN C=CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588603840 1282579951 /nfs/dbraw/zinc/57/99/51/1282579951.db2.gz YEKXMIJOKJXDAW-CYBMUJFWSA-N 0 3 359.434 0.670 20 30 FCEDHN C=CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588603840 1282579963 /nfs/dbraw/zinc/57/99/63/1282579963.db2.gz YEKXMIJOKJXDAW-CYBMUJFWSA-N 0 3 359.434 0.670 20 30 FCEDHN C=CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588603840 1282579975 /nfs/dbraw/zinc/57/99/75/1282579975.db2.gz YEKXMIJOKJXDAW-CYBMUJFWSA-N 0 3 359.434 0.670 20 30 FCEDHN C=CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588603840 1282579987 /nfs/dbraw/zinc/57/99/87/1282579987.db2.gz YEKXMIJOKJXDAW-CYBMUJFWSA-N 0 3 359.434 0.670 20 30 FCEDHN C=CCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001588600573 1282581644 /nfs/dbraw/zinc/58/16/44/1282581644.db2.gz HEBWRULPDFMSEE-DOMZBBRYSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001588600573 1282581652 /nfs/dbraw/zinc/58/16/52/1282581652.db2.gz HEBWRULPDFMSEE-DOMZBBRYSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001588683495 1282644228 /nfs/dbraw/zinc/64/42/28/1282644228.db2.gz WBWCHGIZEOAEGX-TZMCWYRMSA-N 0 3 359.434 0.838 20 30 FCEDHN C=CCOCC[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001588683495 1282644241 /nfs/dbraw/zinc/64/42/41/1282644241.db2.gz WBWCHGIZEOAEGX-TZMCWYRMSA-N 0 3 359.434 0.838 20 30 FCEDHN C=CCOCC[NH2+][C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](C)C1 ZINC001588683305 1282645734 /nfs/dbraw/zinc/64/57/34/1282645734.db2.gz QHHILFMSGYCXGD-JSGCOSHPSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[NH2+][C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](C)C1 ZINC001588683305 1282645748 /nfs/dbraw/zinc/64/57/48/1282645748.db2.gz QHHILFMSGYCXGD-JSGCOSHPSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[N@@H+](C)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001588683497 1282650052 /nfs/dbraw/zinc/65/00/52/1282650052.db2.gz WDFCAKZLSGZBKA-AWEZNQCLSA-N 0 3 359.434 0.934 20 30 FCEDHN C=CCOCC[N@H+](C)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001588683497 1282650061 /nfs/dbraw/zinc/65/00/61/1282650061.db2.gz WDFCAKZLSGZBKA-AWEZNQCLSA-N 0 3 359.434 0.934 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588723267 1282671511 /nfs/dbraw/zinc/67/15/11/1282671511.db2.gz JREXMCYTTZVGLE-HIFRSBDPSA-N 0 3 360.393 0.803 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588723378 1282671851 /nfs/dbraw/zinc/67/18/51/1282671851.db2.gz LIRBZRLIUXNFHZ-XHSDSOJGSA-N 0 3 372.429 0.025 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588723378 1282671867 /nfs/dbraw/zinc/67/18/67/1282671867.db2.gz LIRBZRLIUXNFHZ-XHSDSOJGSA-N 0 3 372.429 0.025 20 30 FCEDHN N#Cc1ccc(C(=O)NCC(=O)NCC(=O)NCCN2CCCCC2)cc1 ZINC001640694980 1282890732 /nfs/dbraw/zinc/89/07/32/1282890732.db2.gz NOSIXRSSOLHNBZ-UHFFFAOYSA-N 0 3 371.441 0.006 20 30 FCEDHN COC(=O)[C@@H](C)CN(C)C(=O)C(C#N)Cc1ccc(-c2nn[nH]n2)cc1 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30 FCEDHN COCC#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCS(=O)(=O)C1 ZINC001228878489 857233812 /nfs/dbraw/zinc/23/38/12/857233812.db2.gz WLZGGZKPSZTBNN-ARFHVFGLSA-N 0 3 356.488 0.478 20 30 FCEDHN C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2NCCS(C)(=O)=O)nn1 ZINC001228989778 857242886 /nfs/dbraw/zinc/24/28/86/857242886.db2.gz HZZDHFKVEBOSRU-CHWSQXEVSA-N 0 3 355.464 0.139 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1c(C)noc1Cl ZINC001229095096 857249112 /nfs/dbraw/zinc/24/91/12/857249112.db2.gz VOFWPCXCMQIHSL-ZIAGYGMSSA-N 0 3 366.849 0.945 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1nccs1 ZINC001229277679 857262199 /nfs/dbraw/zinc/26/21/99/857262199.db2.gz FQUPKFOSFZSLKO-VXGBXAGGSA-N 0 3 365.459 0.786 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[C@H](C)C1 ZINC001229581837 857276667 /nfs/dbraw/zinc/27/66/67/857276667.db2.gz GEHWOMWJKCXGDO-RRFJBIMHSA-N 0 3 350.463 0.174 20 30 FCEDHN Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)c(Cl)n1 ZINC001229640120 857280242 /nfs/dbraw/zinc/28/02/42/857280242.db2.gz QRMWBVPNVMLZPR-VXGBXAGGSA-N 0 3 352.826 0.344 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCCN(C)C(C)=O ZINC001229970732 857295497 /nfs/dbraw/zinc/29/54/97/857295497.db2.gz ZYEPKDMFVDCVQQ-HZPDHXFCSA-N 0 3 352.479 0.564 20 30 FCEDHN C=CCO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCCCOC ZINC001230331100 857326390 /nfs/dbraw/zinc/32/63/90/857326390.db2.gz DXMAEJSNTGDGRF-BZUAXINKSA-N 0 3 355.479 0.747 20 30 FCEDHN C[S@@](=O)CCCCNC(S)/N=C/COCCOCCOCCO ZINC001247001901 857609095 /nfs/dbraw/zinc/60/90/95/857609095.db2.gz DMDQXGBRICACCO-HSZRJFAPSA-N 0 3 369.529 0.224 20 30 FCEDHN C#CCOC[C@H](O)CN1CCc2nc(C(=O)N3CCCC3)sc2CC1 ZINC001251835459 857757414 /nfs/dbraw/zinc/75/74/14/857757414.db2.gz KMZHYIHKQHWRND-CQSZACIVSA-N 0 3 363.483 0.790 20 30 FCEDHN C#CCOC[C@H](O)CN(CCOC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001251857850 857762030 /nfs/dbraw/zinc/76/20/30/857762030.db2.gz LPUXCZQEDMBFGD-HZPDHXFCSA-N 0 3 356.463 0.955 20 30 FCEDHN C=CCOC[C@@H](O)CN[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O ZINC001252497863 857816670 /nfs/dbraw/zinc/81/66/70/857816670.db2.gz ALAZUJYKKQEPOK-JYJNAYRXSA-N 0 3 357.495 0.570 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N(CCC)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001258212745 858183366 /nfs/dbraw/zinc/18/33/66/858183366.db2.gz ZPVGUMITVAGJKR-HNNXBMFYSA-N 0 3 371.503 0.179 20 30 FCEDHN C=CCN(CC=C)CCN1CCN(S(=O)(=O)c2cnn(CC)c2)CC1 ZINC001259836774 858293700 /nfs/dbraw/zinc/29/37/00/858293700.db2.gz NEVKUWBZBAUVES-UHFFFAOYSA-N 0 3 367.519 0.883 20 30 FCEDHN CN(C)CCN1C[C@@]2(F)CN(C(=O)c3cc(C#N)co3)C[C@@]2(F)C1=O ZINC001274166547 860696035 /nfs/dbraw/zinc/69/60/35/860696035.db2.gz PIEAPPUQLUAAIG-HZPDHXFCSA-N 0 3 352.341 0.427 20 30 FCEDHN CN(C)CCN1C[C@@]2(F)CN(C(=O)c3ccc(C#N)o3)C[C@@]2(F)C1=O ZINC001274611685 860788038 /nfs/dbraw/zinc/78/80/38/860788038.db2.gz QMAUAKXLLOTPTB-HZPDHXFCSA-N 0 3 352.341 0.427 20 30 FCEDHN CCCCCCCN1C[C@H](O)C[C@H]1C(=O)N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC001275282598 861010813 /nfs/dbraw/zinc/01/08/13/861010813.db2.gz UJSZJOUPFVSFIU-OWSLCNJRSA-N 0 3 353.507 0.933 20 30 FCEDHN CS(=O)(=O)Nc1cccc(CNCCNC(=O)C2N=CC=CC2=O)c1 ZINC001318457757 867670462 /nfs/dbraw/zinc/67/04/62/867670462.db2.gz YBGARHGYIYVZBA-NXVVXOECSA-N 0 3 364.427 0.674 20 30 FCEDHN C=C(C)Cn1c(C[N+](=O)[O-])nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001356277668 867969506 /nfs/dbraw/zinc/96/95/06/867969506.db2.gz XMPGZCNVKATJAR-CQSZACIVSA-N 0 3 350.423 0.789 20 30 FCEDHN C#CCSCCNC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC001322574586 868866275 /nfs/dbraw/zinc/86/62/75/868866275.db2.gz FGBGZNVSAFWWRX-UHFFFAOYSA-N 0 3 355.504 0.475 20 30 FCEDHN CC(C)[C@H]([NH3+])CNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001326077152 870161062 /nfs/dbraw/zinc/16/10/62/870161062.db2.gz WMRUGWMPDIQNIU-DGCLKSJQSA-N 0 3 352.460 0.603 20 30 FCEDHN Cn1cc(S(=O)(=O)N2CCC(NC[C@H](C#N)CCC#N)CC2)cn1 ZINC001326584240 870395681 /nfs/dbraw/zinc/39/56/81/870395681.db2.gz NEWFYBMKWAMHQE-ZDUSSCGKSA-N 0 3 350.448 0.606 20 30 FCEDHN C#CCN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC[NH+](CCCO)CC1 ZINC001573283974 946733979 /nfs/dbraw/zinc/73/39/79/946733979.db2.gz YKFQENLUEPAJNG-UHFFFAOYSA-N 0 3 357.418 0.117 20 30 FCEDHN C#CCN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC[NH+](CCCO)CC1 ZINC001573283974 946733992 /nfs/dbraw/zinc/73/39/92/946733992.db2.gz YKFQENLUEPAJNG-UHFFFAOYSA-N 0 3 357.418 0.117 20 30 FCEDHN C[C@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573569630 947076897 /nfs/dbraw/zinc/07/68/97/947076897.db2.gz CQBULVKVYXTVIN-DGCLKSJQSA-N 0 3 373.392 0.482 20 30 FCEDHN C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001573571041 947097363 /nfs/dbraw/zinc/09/73/63/947097363.db2.gz XETNHABQXUMXAJ-WQVCFCJDSA-N 0 3 351.414 0.917 20 30 FCEDHN C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001573571041 947097374 /nfs/dbraw/zinc/09/73/74/947097374.db2.gz XETNHABQXUMXAJ-WQVCFCJDSA-N 0 3 351.414 0.917 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)N(C)CC[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573310048 947215413 /nfs/dbraw/zinc/21/54/13/947215413.db2.gz RTJZBBVWMLYEQB-QGZVFWFLSA-N 0 3 362.409 0.881 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)N(C)CC[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573310048 947215420 /nfs/dbraw/zinc/21/54/20/947215420.db2.gz RTJZBBVWMLYEQB-QGZVFWFLSA-N 0 3 362.409 0.881 20 30 FCEDHN C=CCOCC[N@@H+]1CC[C@@H](CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573348745 947586241 /nfs/dbraw/zinc/58/62/41/947586241.db2.gz UPRGKDYJEPMVOK-CYBMUJFWSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[N@H+]1CC[C@@H](CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573348745 947586250 /nfs/dbraw/zinc/58/62/50/947586250.db2.gz UPRGKDYJEPMVOK-CYBMUJFWSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[N@@H+]1CC[C@@H](CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573348745 947586260 /nfs/dbraw/zinc/58/62/60/947586260.db2.gz UPRGKDYJEPMVOK-CYBMUJFWSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[N@H+]1CC[C@@H](CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573348745 947586265 /nfs/dbraw/zinc/58/62/65/947586265.db2.gz UPRGKDYJEPMVOK-CYBMUJFWSA-N 0 3 359.434 0.839 20 30 FCEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCn1ncn(C)c1=O ZINC000293411168 214171544 /nfs/dbraw/zinc/17/15/44/214171544.db2.gz ZBIMLQPNJVJTRG-UHFFFAOYSA-N 0 3 356.430 0.434 20 30 FCEDHN CN(CCN(C)C1CC1)C(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000297436327 214399229 /nfs/dbraw/zinc/39/92/29/214399229.db2.gz AYUPMVLSDUMACH-UHFFFAOYSA-N 0 3 370.457 0.154 20 30 FCEDHN CN(CCC#N)S(=O)(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000408212281 529868906 /nfs/dbraw/zinc/86/89/06/529868906.db2.gz VNOGRACCSZBFNN-UHFFFAOYSA-N 0 3 357.524 0.426 20 30 FCEDHN CN(Cc1ccccc1)[C@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 ZINC000360472060 215361504 /nfs/dbraw/zinc/36/15/04/215361504.db2.gz GQYXHHVDTIGDDM-HNNXBMFYSA-N 0 3 353.426 0.666 20 30 FCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](CO)[C@@H]3C)CC2)o1 ZINC000412074721 237160590 /nfs/dbraw/zinc/16/05/90/237160590.db2.gz ISMSYLULQOSSNE-DZGCQCFKSA-N 0 3 361.446 0.596 20 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ZUQLSOUNLOKRBL-HOTGVXAUSA-N 0 3 373.457 0.862 20 30 FCEDHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000419946003 246380345 /nfs/dbraw/zinc/38/03/45/246380345.db2.gz AHUDFEPPVTVVEU-MRXNPFEDSA-N 0 3 357.458 0.696 20 30 FCEDHN N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCCNCC3)CC2)c(F)c1 ZINC000423619065 247078763 /nfs/dbraw/zinc/07/87/63/247078763.db2.gz ZVFYPCWGXOCFNK-UHFFFAOYSA-N 0 3 359.405 0.168 20 30 FCEDHN C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)[C@H]1CN ZINC000423735318 247132145 /nfs/dbraw/zinc/13/21/45/247132145.db2.gz PDSHWQOPTHNDGP-YJBOKZPZSA-N 0 3 369.469 0.793 20 30 FCEDHN COc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424393921 247205854 /nfs/dbraw/zinc/20/58/54/247205854.db2.gz SCGXJHLQKYEGSY-UONOGXRCSA-N 0 3 361.427 0.416 20 30 FCEDHN N#CCCC[C@@H](N)C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000424070688 247165959 /nfs/dbraw/zinc/16/59/59/247165959.db2.gz SPXIPWPYXCBYSB-OAHLLOKOSA-N 0 3 371.507 0.273 20 30 FCEDHN COC(=O)CNS(=O)(=O)c1cccc(NC(=O)[C@H](N)CCCC#N)c1 ZINC000424093510 247167776 /nfs/dbraw/zinc/16/77/76/247167776.db2.gz RTBIBQYDXSWGCB-CYBMUJFWSA-N 0 3 368.415 0.098 20 30 FCEDHN CCN(CC)CCN(C(=O)[C@@H](N)CCCC#N)[C@H]1CCS(=O)(=O)C1 ZINC000424194927 247176261 /nfs/dbraw/zinc/17/62/61/247176261.db2.gz SLQUTKCADMOIOO-GJZGRUSLSA-N 0 3 358.508 0.365 20 30 FCEDHN C[C@H](NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)c1ccc(C#N)cc1 ZINC000424542240 247256460 /nfs/dbraw/zinc/25/64/60/247256460.db2.gz FMQDIJZZJOOJBD-AFAVFJNCSA-N 0 3 366.425 0.422 20 30 FCEDHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000439628845 248136527 /nfs/dbraw/zinc/13/65/27/248136527.db2.gz NTYYFGIBKSYNKL-UHFFFAOYSA-N 0 3 366.393 0.035 20 30 FCEDHN Cc1c(C#N)cccc1NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000443123807 248308433 /nfs/dbraw/zinc/30/84/33/248308433.db2.gz OQJIXRUWRKAYRA-UHFFFAOYSA-N 0 3 357.458 0.947 20 30 FCEDHN CC(C)Oc1ccc(NC(=O)C(=O)NCCOCCN(C)C)cc1C#N ZINC000441845715 248263052 /nfs/dbraw/zinc/26/30/52/248263052.db2.gz ZNSZRSXNIIMSIS-UHFFFAOYSA-N 0 3 362.430 0.978 20 30 FCEDHN N#Cc1cnn(-c2ccc(C(=O)N[C@@H]3CCCN(CCCO)C3)cc2)c1N ZINC000452373851 249311571 /nfs/dbraw/zinc/31/15/71/249311571.db2.gz IGTGXRWYBMFYOC-MRXNPFEDSA-N 0 3 368.441 0.903 20 30 FCEDHN CN(C)CCOCCNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000471645246 250111603 /nfs/dbraw/zinc/11/16/03/250111603.db2.gz XTRBBMVUPMAQEN-UHFFFAOYSA-N 0 3 359.474 0.964 20 30 FCEDHN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCOCCN(C)C ZINC000471658450 250112942 /nfs/dbraw/zinc/11/29/42/250112942.db2.gz LYQKRSGXCHGQMU-AWEZNQCLSA-N 0 3 361.450 0.147 20 30 FCEDHN N#Cc1ccc(CC(C#N)C(=O)NCCN2CCS(=O)(=O)CC2)cc1 ZINC000471883893 250122991 /nfs/dbraw/zinc/12/29/91/250122991.db2.gz LONIFADCLCVRRR-INIZCTEOSA-N 0 3 360.439 0.087 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCC(=O)NC2)cc1 ZINC000480949989 250300179 /nfs/dbraw/zinc/30/01/79/250300179.db2.gz CLOLQVBIQHRROV-PWSUYJOCSA-N 0 3 350.400 0.772 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H]2CCNC2=O)cc1 ZINC000480963872 250302451 /nfs/dbraw/zinc/30/24/51/250302451.db2.gz OTXRWRHWLFJIGD-ZWNOBZJWSA-N 0 3 350.400 0.725 20 30 FCEDHN C[C@@H](NS(C)(=O)=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000074223398 208054624 /nfs/dbraw/zinc/05/46/24/208054624.db2.gz RJEUPWRKMBAWBE-CYBMUJFWSA-N 0 3 352.460 0.386 20 30 FCEDHN CN(C)CCN1C[C@H](C(=O)N[C@@]2(C#N)CCc3ccccc3C2)CC1=O ZINC000186886934 229237161 /nfs/dbraw/zinc/23/71/61/229237161.db2.gz JVSMKTNJIHRIFT-XLIONFOSSA-N 0 3 354.454 0.964 20 30 FCEDHN [NH2+]=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)N1CCOCC1 ZINC000262808751 229313606 /nfs/dbraw/zinc/31/36/06/229313606.db2.gz UMZSXAYQPLBTCU-UHFFFAOYSA-N 0 3 364.830 0.404 20 30 FCEDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Nc1ccn(CCC#N)n1 ZINC000266364589 229365543 /nfs/dbraw/zinc/36/55/43/229365543.db2.gz CQNGSPPMZJAUJZ-AWEZNQCLSA-N 0 3 361.450 0.861 20 30 FCEDHN Cn1ccnc(N2CCC[C@H](NC(=O)N[C@H]3CCN(C4CC4)C3)C2)c1=O ZINC000329229030 229695234 /nfs/dbraw/zinc/69/52/34/229695234.db2.gz JCCQKVUIKHBOBD-KBPBESRZSA-N 0 3 360.462 0.489 20 30 FCEDHN 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FCEDHN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000187386145 488409760 /nfs/dbraw/zinc/40/97/60/488409760.db2.gz AQGDCMMNBHZKCU-AWEZNQCLSA-N 0 3 357.458 0.947 20 30 FCEDHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000077538791 488415497 /nfs/dbraw/zinc/41/54/97/488415497.db2.gz KWXQZTYOOUNKGO-CYBMUJFWSA-N 0 3 361.421 0.778 20 30 FCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H]4OCC[C@@H]4C3)CC2)o1 ZINC000569840574 491197366 /nfs/dbraw/zinc/19/73/66/491197366.db2.gz HNXZISXTFGUOFM-ZBFHGGJFSA-N 0 3 359.430 0.614 20 30 FCEDHN Cn1c(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)c(C#N)c(=O)n(C)c1=O ZINC000089644935 488457455 /nfs/dbraw/zinc/45/74/55/488457455.db2.gz PNVOOBXWTVPYFS-CABCVRRESA-N 0 3 369.425 0.003 20 30 FCEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000248400710 488495308 /nfs/dbraw/zinc/49/53/08/488495308.db2.gz YAMDUUFXNXCPEC-XJKSGUPXSA-N 0 3 353.426 0.888 20 30 FCEDHN C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@](C)(O)CN(C)C)c1 ZINC000269965430 488514630 /nfs/dbraw/zinc/51/46/30/488514630.db2.gz YPUBRJQCYPTYKC-MRXNPFEDSA-N 0 3 355.460 0.193 20 30 FCEDHN CN(C)CCNC(=O)c1cccc(CNC(=O)C2(C#N)CCOCC2)c1 ZINC000109142363 488521779 /nfs/dbraw/zinc/52/17/79/488521779.db2.gz LEYAGSOKGDXIBG-UHFFFAOYSA-N 0 3 358.442 0.915 20 30 FCEDHN C#CCN1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2C(N)=O)CC1 ZINC000271855277 488550454 /nfs/dbraw/zinc/55/04/54/488550454.db2.gz WSWMBIILVKLDQF-UHFFFAOYSA-N 0 3 370.453 0.906 20 30 FCEDHN COCC1(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC[NH2+]CC1 ZINC000262145828 488553014 /nfs/dbraw/zinc/55/30/14/488553014.db2.gz ZLXIKJNEBXUFFK-UHFFFAOYSA-N 0 3 368.415 0.761 20 30 FCEDHN COC[C@]1(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CCC[NH2+]1 ZINC000262335043 488564751 /nfs/dbraw/zinc/56/47/51/488564751.db2.gz SANJQLGGLBJWEI-CQSZACIVSA-N 0 3 354.388 0.513 20 30 FCEDHN C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c1 ZINC000272374675 488576471 /nfs/dbraw/zinc/57/64/71/488576471.db2.gz BBGXURHLAZTWPS-PBHICJAKSA-N 0 3 361.467 0.764 20 30 FCEDHN CN(C)C[C@](C)(O)CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272842447 488610427 /nfs/dbraw/zinc/61/04/27/488610427.db2.gz RNUJXACQYUAWIO-QFBILLFUSA-N 0 3 373.457 0.665 20 30 FCEDHN COCCOCCON=C(N)c1ccccc1CN1CCC(O)CC1 ZINC000273425936 488650027 /nfs/dbraw/zinc/65/00/27/488650027.db2.gz JBEGFXVTLUTVHW-UHFFFAOYSA-N 0 3 351.447 0.943 20 30 FCEDHN CN(C)CCNC(=O)C1CCN(CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000264198284 488654423 /nfs/dbraw/zinc/65/44/23/488654423.db2.gz HYOAELVATQHGJZ-UHFFFAOYSA-N 0 3 371.485 0.564 20 30 FCEDHN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@](C)(O)CN(C)C ZINC000153020677 488726266 /nfs/dbraw/zinc/72/62/66/488726266.db2.gz GYKXLIVWTCRPGC-SFHVURJKSA-N 0 3 358.446 0.579 20 30 FCEDHN CCN1CCC(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000157797763 488773359 /nfs/dbraw/zinc/77/33/59/488773359.db2.gz CLOFPIAJTBWFIW-CYBMUJFWSA-N 0 3 364.471 0.826 20 30 FCEDHN CN(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000170817668 488816374 /nfs/dbraw/zinc/81/63/74/488816374.db2.gz 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490048495 /nfs/dbraw/zinc/04/84/95/490048495.db2.gz VMPQVPXDHNLBJK-GOSISDBHSA-N 0 3 357.433 0.736 20 30 FCEDHN N#CC(C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccncn1 ZINC000545446548 490138042 /nfs/dbraw/zinc/13/80/42/490138042.db2.gz MUZITSBRAXAKAE-HNNXBMFYSA-N 0 3 372.406 0.988 20 30 FCEDHN N#CCc1ccc(OC[C@@H](O)CNCCNC(=O)c2cccnc2)cc1 ZINC000571397003 491304586 /nfs/dbraw/zinc/30/45/86/491304586.db2.gz SRRKSRIDKDEJKL-KRWDZBQOSA-N 0 3 354.410 0.907 20 30 FCEDHN CN(C)C[C@H](O)CNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000520842918 490198289 /nfs/dbraw/zinc/19/82/89/490198289.db2.gz HJCMDDOUQZBJMJ-GFCCVEGCSA-N 0 3 350.444 0.670 20 30 FCEDHN C[C@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)NCCN(C)C ZINC000521368064 490253193 /nfs/dbraw/zinc/25/31/93/490253193.db2.gz DLLHWLOACRMAIV-LBPRGKRZSA-N 0 3 369.429 0.122 20 30 FCEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000498405726 490291444 /nfs/dbraw/zinc/29/14/44/490291444.db2.gz HRHZOLBAZJYDML-GFCCVEGCSA-N 0 3 374.484 0.542 20 30 FCEDHN CN(CCC#N)S(=O)(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000498563380 490313068 /nfs/dbraw/zinc/31/30/68/490313068.db2.gz YXAIKMFTUCGZNO-UHFFFAOYSA-N 0 3 366.491 0.274 20 30 FCEDHN CN(C)CCc1ccccc1NC(=O)C(=O)NCCn1cnc(C#N)n1 ZINC000508324124 490317060 /nfs/dbraw/zinc/31/70/60/490317060.db2.gz IJTPQVYRGCKJHF-UHFFFAOYSA-N 0 3 355.402 0.009 20 30 FCEDHN C[C@H]1CN(C(=O)C(=O)NCC(C)(C)CC#N)CCN1C1CCN(C)CC1 ZINC000422482874 490349812 /nfs/dbraw/zinc/34/98/12/490349812.db2.gz TVXUNBDHGCAZML-HNNXBMFYSA-N 0 3 363.506 0.669 20 30 FCEDHN CCO[C@@H]1COCC[C@H]1NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000484634676 490450862 /nfs/dbraw/zinc/45/08/62/490450862.db2.gz DHFHDJBZBLOCRU-BRWVUGGUSA-N 0 3 352.479 0.462 20 30 FCEDHN CS(=O)(=O)N1CCC[C@@H](NC[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000564845492 491330760 /nfs/dbraw/zinc/33/07/60/491330760.db2.gz BGKMWZDWNXTFLP-HZPDHXFCSA-N 0 3 367.471 0.506 20 30 FCEDHN CS(=O)(=O)N1CCC[C@H](NC[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000564845493 491330959 /nfs/dbraw/zinc/33/09/59/491330959.db2.gz BGKMWZDWNXTFLP-JKSUJKDBSA-N 0 3 367.471 0.506 20 30 FCEDHN C[C@H](NC[C@H](O)CN(C)CCC#N)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000564849064 491331556 /nfs/dbraw/zinc/33/15/56/491331556.db2.gz QERMEFXXHYUGJD-HOCLYGCPSA-N 0 3 368.503 0.794 20 30 FCEDHN N#Cc1ncn(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)n1 ZINC000536434981 490578295 /nfs/dbraw/zinc/57/82/95/490578295.db2.gz XHUVZVDIVDFTSF-HZPDHXFCSA-N 0 3 354.414 0.149 20 30 FCEDHN C=CCCC[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000487769242 490730172 /nfs/dbraw/zinc/73/01/72/490730172.db2.gz IXCVTJCALOAAHY-CVEARBPZSA-N 0 3 364.490 0.612 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC(CC(=O)OCC)CC2)CC1 ZINC000572068484 491346747 /nfs/dbraw/zinc/34/67/47/491346747.db2.gz YWCUMRZKRNMTPI-UHFFFAOYSA-N 0 3 365.474 0.945 20 30 FCEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000528659525 490818371 /nfs/dbraw/zinc/81/83/71/490818371.db2.gz INMBQQXRNWXTKU-OAHLLOKOSA-N 0 3 370.413 0.325 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(CCN(C)C)CCN(C)C ZINC000515582152 490832747 /nfs/dbraw/zinc/83/27/47/490832747.db2.gz POHFJUNHNGXQPL-CVEARBPZSA-N 0 3 354.495 0.036 20 30 FCEDHN Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CN(C4CC4)C[C@H]3C)CC2)c1C#N ZINC000530514169 490909910 /nfs/dbraw/zinc/90/99/10/490909910.db2.gz KVECOORRJWPEGF-CXAGYDPISA-N 0 3 371.489 0.915 20 30 FCEDHN N#CCCC[C@H](N)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000518368878 490937727 /nfs/dbraw/zinc/93/77/27/490937727.db2.gz LRJKBOXLGNGBPP-HNNXBMFYSA-N 0 3 365.459 0.004 20 30 FCEDHN COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)C(C)C#N)CC2)c1 ZINC000531291412 490950606 /nfs/dbraw/zinc/95/06/06/490950606.db2.gz WOBJIBPKFBPZDH-JTQLQIEISA-N 0 3 371.440 0.527 20 30 FCEDHN C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)C1=O ZINC000612481750 491924023 /nfs/dbraw/zinc/92/40/23/491924023.db2.gz FICYCEJKIIDKSN-JKSUJKDBSA-N 0 3 364.490 0.468 20 30 FCEDHN C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCN1C ZINC000554030770 491171886 /nfs/dbraw/zinc/17/18/86/491171886.db2.gz WLGCJTQLIQBQPD-GOEBONIOSA-N 0 3 370.457 0.201 20 30 FCEDHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCN1C ZINC000554030769 491171971 /nfs/dbraw/zinc/17/19/71/491171971.db2.gz WLGCJTQLIQBQPD-GDBMZVCRSA-N 0 3 370.457 0.201 20 30 FCEDHN Cc1nc([C@@H]2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)C2)n[nH]1 ZINC000562704472 491183252 /nfs/dbraw/zinc/18/32/52/491183252.db2.gz WSFMOXIAJAQYRK-CVEARBPZSA-N 0 3 359.478 0.595 20 30 FCEDHN Cc1nnc([C@@H]2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)C2)[nH]1 ZINC000562704472 491183254 /nfs/dbraw/zinc/18/32/54/491183254.db2.gz WSFMOXIAJAQYRK-CVEARBPZSA-N 0 3 359.478 0.595 20 30 FCEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CCCN(C)C1=O)C(C)C ZINC000572547302 491378334 /nfs/dbraw/zinc/37/83/34/491378334.db2.gz GNXGGNKKQRKHMH-JKSUJKDBSA-N 0 3 364.490 0.538 20 30 FCEDHN C=CCCOCCNC(=O)C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000572638624 491383601 /nfs/dbraw/zinc/38/36/01/491383601.db2.gz NJNCVSIVOMFPAA-UHFFFAOYSA-N 0 3 366.506 0.181 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(C)C[C@@H]2C(C)C)CC1 ZINC000557730926 491394019 /nfs/dbraw/zinc/39/40/19/491394019.db2.gz LZKUBQLDPJQUTP-QGZVFWFLSA-N 0 3 350.507 0.942 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCN(C3CCOCC3)CC2)CC1 ZINC000557732008 491394231 /nfs/dbraw/zinc/39/42/31/491394231.db2.gz KLASIMKWIKVQEO-UHFFFAOYSA-N 0 3 364.490 0.076 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(CC)[C@H](C)CS(C)(=O)=O)CC1 ZINC000557756544 491396500 /nfs/dbraw/zinc/39/65/00/491396500.db2.gz STGFDHLOXNZSMZ-CQSZACIVSA-N 0 3 373.519 0.425 20 30 FCEDHN CN(CCC#N)C[C@@H](O)CNC[C@@H](c1cccs1)N1CCOCC1 ZINC000565820746 491401430 /nfs/dbraw/zinc/40/14/30/491401430.db2.gz IHRSOPDWWBFQIC-HOTGVXAUSA-N 0 3 352.504 0.917 20 30 FCEDHN N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CN4CCN3CCC4)C2=O)cc1 ZINC000565986328 491410497 /nfs/dbraw/zinc/41/04/97/491410497.db2.gz AAGJPMYTEJFMLT-ZWKOTPCHSA-N 0 3 367.453 0.165 20 30 FCEDHN CCN1CCN(C(=O)CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000566285995 491432891 /nfs/dbraw/zinc/43/28/91/491432891.db2.gz ACGATYIYWJQJMF-QGZVFWFLSA-N 0 3 353.426 0.521 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCOC[C@H]2C)cc1 ZINC000574092862 491474302 /nfs/dbraw/zinc/47/43/02/491474302.db2.gz YUVPGDVQFOZVJR-NEPJUHHUSA-N 0 3 365.411 0.558 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000559705385 491492845 /nfs/dbraw/zinc/49/28/45/491492845.db2.gz SZDBVZBNBFAWJZ-WBVHZDCISA-N 0 3 366.506 0.226 20 30 FCEDHN Cc1ccc([C@H](CNC[C@H](O)CN(C)CCC#N)N2CCOCC2)o1 ZINC000567568393 491514201 /nfs/dbraw/zinc/51/42/01/491514201.db2.gz MWJRSGMDYCVMNP-IRXDYDNUSA-N 0 3 350.463 0.757 20 30 FCEDHN C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)C1=O ZINC000567657649 491520759 /nfs/dbraw/zinc/52/07/59/491520759.db2.gz CPOSYGKPUOWMBG-UONOGXRCSA-N 0 3 374.372 0.056 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC1 ZINC000560924295 491565346 /nfs/dbraw/zinc/56/53/46/491565346.db2.gz GZUYCBXISMJTKE-UHFFFAOYSA-N 0 3 374.441 0.646 20 30 FCEDHN CCS(=O)(=O)N1CCC([C@H](C)N(C)CC(=O)NC2(C#N)CCC2)CC1 ZINC000569287148 491648927 /nfs/dbraw/zinc/64/89/27/491648927.db2.gz RDIMNZKYOSGDCA-AWEZNQCLSA-N 0 3 370.519 0.931 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CCOC[C@@H]2C[C@H](C)O)CC1 ZINC000579246032 491693938 /nfs/dbraw/zinc/69/39/38/491693938.db2.gz XWLMVABKAPVRPX-HOCLYGCPSA-N 0 3 353.463 0.141 20 30 FCEDHN COc1ccc(CN2CC[C@@H](NC[C@@H](O)CN(C)CCC#N)C2=O)cc1 ZINC000579343706 491695949 /nfs/dbraw/zinc/69/59/49/491695949.db2.gz HHMGPQRJXHGRDH-SJLPKXTDSA-N 0 3 360.458 0.592 20 30 FCEDHN CN1CC[NH2+]C[C@H]1C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000579474048 491698582 /nfs/dbraw/zinc/69/85/82/491698582.db2.gz ZVYRYPRONKTMNE-JTQLQIEISA-N 0 3 373.276 0.503 20 30 FCEDHN CN1CCN(S(=O)(=O)c2cccc(Br)c2C#N)[C@@H](CN)C1 ZINC000579839508 491706601 /nfs/dbraw/zinc/70/66/01/491706601.db2.gz YRYOZBNONFSKJL-JTQLQIEISA-N 0 3 373.276 0.584 20 30 FCEDHN N#CCCCCNC(=O)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000579990759 491712911 /nfs/dbraw/zinc/71/29/11/491712911.db2.gz NHLBVHGKAWLUNG-QGZVFWFLSA-N 0 3 358.442 0.679 20 30 FCEDHN CN1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](CN)C1 ZINC000580941865 491752436 /nfs/dbraw/zinc/75/24/36/491752436.db2.gz FLMRPZMBRQSVTO-IRXDYDNUSA-N 0 3 370.457 0.338 20 30 FCEDHN CN1CCC[C@@H]1C(=O)N1CCN(c2nc3c(cc2C#N)COCC3)CC1 ZINC000590694704 491783625 /nfs/dbraw/zinc/78/36/25/491783625.db2.gz CRFRSQYHHUZTQP-QGZVFWFLSA-N 0 3 355.442 0.769 20 30 FCEDHN COC(=O)[C@@H]1CCC[C@@H]1NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000590752156 491785223 /nfs/dbraw/zinc/78/52/23/491785223.db2.gz NZPHCWWDQLEYMQ-PMPSAXMXSA-N 0 3 350.463 0.610 20 30 FCEDHN COC(=O)[C@H]1CN(C)CCN(C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000591044532 491794279 /nfs/dbraw/zinc/79/42/79/491794279.db2.gz BSUMPEBHNSXXOB-DLBZAZTESA-N 0 3 361.442 0.529 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@H](CNC(C)=O)C2)CC1 ZINC000582139500 491799690 /nfs/dbraw/zinc/79/96/90/491799690.db2.gz NDHLREQNCQRKGH-MRXNPFEDSA-N 0 3 364.490 0.518 20 30 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C[C@H](CC(=O)N1CCN[C@H](C)[C@H]1C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000843473748 670823864 /nfs/dbraw/zinc/82/38/64/670823864.db2.gz JLKXTXQBBBUSLG-JHJVBQTASA-N 0 3 364.471 0.713 20 30 FCEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000860463146 671889567 /nfs/dbraw/zinc/88/95/67/671889567.db2.gz OHBQNDRZDIBIEZ-KBPBESRZSA-N 0 3 373.475 0.298 20 30 FCEDHN CCCCCCCNC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000861786431 671995434 /nfs/dbraw/zinc/99/54/34/671995434.db2.gz WJSLBXXQUADVDV-OAHLLOKOSA-N 0 3 350.467 0.987 20 30 FCEDHN N#Cc1ccccc1OC[C@@H](O)CNCCS(=O)(=O)C1CCOCC1 ZINC000863557108 672139293 /nfs/dbraw/zinc/13/92/93/672139293.db2.gz JMHWXQSJPYKMOS-HNNXBMFYSA-N 0 3 368.455 0.481 20 30 FCEDHN C#CC[C@@H](CCOC)NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000875917833 672927741 /nfs/dbraw/zinc/92/77/41/672927741.db2.gz HDMVXIFMDYIDEU-HOTGVXAUSA-N 0 3 350.463 0.363 20 30 FCEDHN C=CCCN1CCN([C@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)CC1 ZINC001052042930 676113455 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Cc1[nH]cnc1CC(=O)N[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@@H]1O ZINC001044100408 675615954 /nfs/dbraw/zinc/61/59/54/675615954.db2.gz DQTJSUGVYSXMAY-MNOVXSKESA-N 0 3 366.834 0.608 20 30 FCEDHN Cc1[nH]cnc1CC(=O)N[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@@H]1O ZINC001044101271 675616136 /nfs/dbraw/zinc/61/61/36/675616136.db2.gz TZXMGGGUBWRFEW-ZJUUUORDSA-N 0 3 366.834 0.608 20 30 FCEDHN C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001047427705 675798987 /nfs/dbraw/zinc/79/89/87/675798987.db2.gz BYWQGTQKNNYSLQ-RVMXOQNASA-N 0 3 352.353 0.412 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)c3ncccn3)[C@@H]2C)CC1 ZINC000988507557 1192238944 /nfs/dbraw/zinc/23/89/44/1192238944.db2.gz VRYGQVDHUQYDER-ZBFHGGJFSA-N 0 3 355.442 0.541 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)Cn3ccnc3)[C@@H]2C)CC1 ZINC000988508022 1192239793 /nfs/dbraw/zinc/23/97/93/1192239793.db2.gz ZBCATKZLXFIXSV-WBVHZDCISA-N 0 3 357.458 0.334 20 30 FCEDHN C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@@H]1O ZINC000969418931 1167943674 /nfs/dbraw/zinc/94/36/74/1167943674.db2.gz SBKYZTQRHHUPIR-HBFSDRIKSA-N 0 3 369.465 0.239 20 30 FCEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2O)cc1 ZINC000969481369 1167979062 /nfs/dbraw/zinc/97/90/62/1167979062.db2.gz GIZKEORMNJLOTQ-MSOLQXFVSA-N 0 3 355.438 0.454 20 30 FCEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@H]2O)cc1 ZINC000969477630 1167982193 /nfs/dbraw/zinc/98/21/93/1167982193.db2.gz CSPQMMXEAAIZDN-QYZOEREBSA-N 0 3 369.465 0.842 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)C(C)(C)N3CCCC3)[C@@H](O)C2)cc1 ZINC000969511996 1167997553 /nfs/dbraw/zinc/99/75/53/1167997553.db2.gz GTNVCXNIZQPACX-MSOLQXFVSA-N 0 3 369.465 0.844 20 30 FCEDHN C#CCOc1cccc(NC(=O)C(=O)NCCCCN2CCN(C)CC2)c1 ZINC000077816594 1192395133 /nfs/dbraw/zinc/39/51/33/1192395133.db2.gz NWECRBRCGNZHKU-UHFFFAOYSA-N 0 3 372.469 0.781 20 30 FCEDHN C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001104335317 1170049470 /nfs/dbraw/zinc/04/94/70/1170049470.db2.gz JPRMNWQTFRZFAY-MGPQQGTHSA-N 0 3 359.430 0.008 20 30 FCEDHN C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1[n-]nnc1C)C2 ZINC001112506262 1170573506 /nfs/dbraw/zinc/57/35/06/1170573506.db2.gz BZAUFBNCSNMLQC-DEYYWGMASA-N 0 3 360.462 0.636 20 30 FCEDHN O=C(C#CC1CC1)N1C[C@@H]2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001022285313 1170829882 /nfs/dbraw/zinc/82/98/82/1170829882.db2.gz GIFMOONGPGHJBA-RQNXJZGISA-N 0 3 369.465 0.322 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@]2(CC)CCNC2=O)C[C@H]1c1cnn(C)c1 ZINC001691280322 1171027920 /nfs/dbraw/zinc/02/79/20/1171027920.db2.gz VIBIUZSPRQXSKM-FCEWJHQRSA-N 0 3 357.458 0.244 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1c1cnn(C)c1 ZINC001691286013 1171036579 /nfs/dbraw/zinc/03/65/79/1171036579.db2.gz MASRPESFRIAYAX-DLBZAZTESA-N 0 3 355.446 0.089 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnc(C3CC3)nc2)C[C@H]1C ZINC001691322231 1171091378 /nfs/dbraw/zinc/09/13/78/1171091378.db2.gz PADBXOUKMPFXSP-XJKCOSOUSA-N 0 3 355.442 0.542 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)[C@H]1OCC[C@H]1CC ZINC001691352534 1171184663 /nfs/dbraw/zinc/18/46/63/1171184663.db2.gz ZWCNZUJFJHYKRY-MJBXVCDLSA-N 0 3 354.451 0.250 20 30 FCEDHN C#CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)C(=O)Nc1ccccc1 ZINC001691363029 1171206195 /nfs/dbraw/zinc/20/61/95/1171206195.db2.gz WWOBETHRIFXMKG-WBVHZDCISA-N 0 3 370.453 0.591 20 30 FCEDHN COCC#CCNC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001691362153 1171206340 /nfs/dbraw/zinc/20/63/40/1171206340.db2.gz DYTROGZKMPMGKN-PMPSAXMXSA-N 0 3 356.488 0.288 20 30 FCEDHN C=CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1ccc2nnnn2c1 ZINC001691363397 1171209039 /nfs/dbraw/zinc/20/90/39/1171209039.db2.gz BWDNNEMKYSDOPT-HIFRSBDPSA-N 0 3 371.445 0.257 20 30 FCEDHN C#CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)CCc1ccccn1 ZINC001691365477 1171210412 /nfs/dbraw/zinc/21/04/12/1171210412.db2.gz BRXQGBBKMUZSOR-AEFFLSMTSA-N 0 3 356.470 0.980 20 30 FCEDHN C[C@@H]1CCN(C(=O)COc2cccnc2)[C@H](CNCC(=O)NCC#N)C1 ZINC001691374985 1171225195 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367.490 0.291 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@@H]1C[C@@]2(CN(C(C)=O)[C@H]2C(C)C)C[C@H]1O ZINC001105588164 1192835982 /nfs/dbraw/zinc/83/59/82/1192835982.db2.gz RZBYEUUCLGODFJ-FPAYPSAMSA-N 0 3 364.490 0.735 20 30 FCEDHN COCC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3C(C)C)C[C@@H]2C1 ZINC001691566484 1192881863 /nfs/dbraw/zinc/88/18/63/1192881863.db2.gz GUYGDHLIOYKBKJ-SQNIBIBYSA-N 0 3 361.486 0.816 20 30 FCEDHN C=CCCC(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC(=O)NCC#N)C2)[C@@H]1C(C)C ZINC001105602981 1192884432 /nfs/dbraw/zinc/88/44/32/1192884432.db2.gz BSIXOYFXUVRZQZ-LTDCPUDJSA-N 0 3 362.474 0.558 20 30 FCEDHN C=CCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC(=O)NCC#N)C2)[C@@H]1C(C)C ZINC001105602984 1192884518 /nfs/dbraw/zinc/88/45/18/1192884518.db2.gz BSIXOYFXUVRZQZ-VVWQDTPRSA-N 0 3 362.474 0.558 20 30 FCEDHN COCC#CCN[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1c1ccccc1 ZINC001211577962 1179033015 /nfs/dbraw/zinc/03/30/15/1179033015.db2.gz HQMGPLJXKWDSNM-DLBZAZTESA-N 0 3 369.425 0.218 20 30 FCEDHN 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/nfs/dbraw/zinc/86/78/78/1197867878.db2.gz CDJREIWBVXZVJO-WBVHZDCISA-N 0 3 357.410 0.617 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2NCc2cn(C)nn2)CC1 ZINC001085432724 1197898966 /nfs/dbraw/zinc/89/89/66/1197898966.db2.gz MYVPLSFZVDTOFC-QZTJIDSGSA-N 0 3 358.490 0.677 20 30 FCEDHN C[C@@H](O)C(=O)N1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000766266543 1198074174 /nfs/dbraw/zinc/07/41/74/1198074174.db2.gz DSYAAONFUWDLEC-CHWSQXEVSA-N 0 3 372.450 0.998 20 30 FCEDHN CC(C)NC(=O)C(C#N)C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O ZINC000741429619 1198097184 /nfs/dbraw/zinc/09/71/84/1198097184.db2.gz FJIGKLNQOANWJQ-GFCCVEGCSA-N 0 3 366.418 0.299 20 30 FCEDHN COCCCNC(=O)C(C#N)C(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000744024491 1198303568 /nfs/dbraw/zinc/30/35/68/1198303568.db2.gz YNMKUWUDHLKQHN-JKSUJKDBSA-N 0 3 372.425 0.795 20 30 FCEDHN C#CCNC(=O)CC(=O)N[C@@H]1CN(Cc2c(C)cc(C)cc2C)C[C@@H]1O ZINC001219487381 1224484478 /nfs/dbraw/zinc/48/44/78/1224484478.db2.gz ORUSAFYGGFHXFE-MSOLQXFVSA-N 0 3 357.454 0.413 20 30 FCEDHN C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)Cc1ccccc1 ZINC001109171030 1200079060 /nfs/dbraw/zinc/07/90/60/1200079060.db2.gz BFZJMOLZZRLNJL-XWSJACJDSA-N 0 3 369.465 0.451 20 30 FCEDHN CN(C)[C@H](C(=O)N[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@@H]1O)C1CC1 ZINC001219803843 1224622704 /nfs/dbraw/zinc/62/27/04/1224622704.db2.gz GTEPOFQOXGHNFF-SQNIBIBYSA-N 0 3 360.433 0.699 20 30 FCEDHN CC(C)[C@@H](C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O)N1CCCC1 ZINC001090432314 1200695437 /nfs/dbraw/zinc/69/54/37/1200695437.db2.gz BLTZJSFBDIRAFQ-INMHGKMJSA-N 0 3 358.446 0.134 20 30 FCEDHN N#CC(C(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)NCc1ccc(F)c(F)c1 ZINC000786572016 1200843616 /nfs/dbraw/zinc/84/36/16/1200843616.db2.gz URJYDSLWJGDRGL-SECBINFHSA-N 0 3 364.268 0.490 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NCCNc2ncccc2C#N)CC1 ZINC000787773542 1200907755 /nfs/dbraw/zinc/90/77/55/1200907755.db2.gz APWPCYOQMAZSKY-UHFFFAOYSA-N 0 3 356.430 0.248 20 30 FCEDHN COCCN(C)c1ccc(CNCCNC(=O)C2N=CC=CC2=O)cn1 ZINC000790965616 1201118897 /nfs/dbraw/zinc/11/88/97/1201118897.db2.gz UGUVXGSQLSDLRL-ISLYRVAYSA-N 0 3 359.430 0.780 20 30 FCEDHN C#CCN1CCN(C(=O)CN[C@H](C)[C@H](Cc2ccccc2)C(=O)OC)CC1 ZINC000792935933 1201219442 /nfs/dbraw/zinc/21/94/42/1201219442.db2.gz SGKKEJJWGJSDNL-MJGOQNOKSA-N 0 3 371.481 0.774 20 30 FCEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001086612819 1201233881 /nfs/dbraw/zinc/23/38/81/1201233881.db2.gz KSFLZDDVHDTHMF-HRCADAONSA-N 0 3 354.410 0.192 20 30 FCEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001086613019 1201234388 /nfs/dbraw/zinc/23/43/88/1201234388.db2.gz VTJVTMSXMUWEFK-HRCADAONSA-N 0 3 356.426 0.745 20 30 FCEDHN C=CCOCC(=O)N1C[C@@H](NC[C@@H](O)c2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129681287 1201369043 /nfs/dbraw/zinc/36/90/43/1201369043.db2.gz NEUXJJHOJBEYHL-FGTMMUONSA-N 0 3 371.441 0.556 20 30 FCEDHN C=CCCO[C@H](C)C(=O)N1C[C@@H](NCCOCC=C)[C@@H](n2ccnn2)C1 ZINC001129675586 1201374280 /nfs/dbraw/zinc/37/42/80/1201374280.db2.gz SWAPIXZPJFIVKP-ZACQAIPSSA-N 0 3 363.462 0.803 20 30 FCEDHN C=CCOCCCC(=O)N1C[C@@H](NCCOCC=C)[C@@H](n2ccnn2)C1 ZINC001129733116 1201380835 /nfs/dbraw/zinc/38/08/35/1201380835.db2.gz OPJJIJSRWIQMMY-SJORKVTESA-N 0 3 363.462 0.805 20 30 FCEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001129780359 1201395585 /nfs/dbraw/zinc/39/55/85/1201395585.db2.gz SPZNDCRHSVFCAA-NXHRZFHOSA-N 0 3 357.454 0.998 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@@H]1n1ccnn1 ZINC001129803270 1201397166 /nfs/dbraw/zinc/39/71/66/1201397166.db2.gz CVYZHCUHAYCDED-CABCVRRESA-N 0 3 359.434 0.178 20 30 FCEDHN CC(C)C#CC(=O)N1C[C@@H](NCCc2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001129822114 1201401654 /nfs/dbraw/zinc/40/16/54/1201401654.db2.gz GCDWZSCVEBSZCF-SJORKVTESA-N 0 3 355.446 0.255 20 30 FCEDHN C#CCOCCC(=O)N1C[C@@H](NCc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129845183 1201404102 /nfs/dbraw/zinc/40/41/02/1201404102.db2.gz OBEPXFQBIXPAQQ-MSOLQXFVSA-N 0 3 353.426 0.860 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)C2(CCOC)CC2)C[C@@H]1n1ccnn1 ZINC001129890505 1201414369 /nfs/dbraw/zinc/41/43/69/1201414369.db2.gz LQFQLYQRWUQSEC-CVEARBPZSA-N 0 3 363.462 0.639 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@]2(CC(C)C)CCNC2=O)C[C@@H]1n1ccnn1 ZINC001129899616 1201432207 /nfs/dbraw/zinc/43/22/07/1201432207.db2.gz BQCVDAXXIJLYJC-RVKKMQEKSA-N 0 3 360.462 0.358 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)[C@H](OC)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129952138 1201448417 /nfs/dbraw/zinc/44/84/17/1201448417.db2.gz JPNXUAWHILBKPH-IXDOHACOSA-N 0 3 363.462 0.637 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)CCCCc2c[nH]nn2)C[C@@H]1n1ccnn1 ZINC001129943314 1201453335 /nfs/dbraw/zinc/45/33/35/1201453335.db2.gz WMRPQMXBRIRPKN-CVEARBPZSA-N 0 3 356.434 0.174 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)CCCCc2cn[nH]n2)C[C@@H]1n1ccnn1 ZINC001129943314 1201453338 /nfs/dbraw/zinc/45/33/38/1201453338.db2.gz WMRPQMXBRIRPKN-CVEARBPZSA-N 0 3 356.434 0.174 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCCOC(C)C)[C@@H](n2ccnn2)C1 ZINC001130009550 1201477707 /nfs/dbraw/zinc/47/77/07/1201477707.db2.gz VHVMLNIGUVYDBJ-NCOADZHNSA-N 0 3 363.462 0.636 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2[nH]cnc2CC)C[C@@H]1n1ccnn1 ZINC001130109760 1201503661 /nfs/dbraw/zinc/50/36/61/1201503661.db2.gz GBWWOOPTEAHZAI-CABCVRRESA-N 0 3 359.434 0.422 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)Cc2ccc(C)nc2)C[C@@H]1n1ccnn1 ZINC001130125451 1201506388 /nfs/dbraw/zinc/50/63/88/1201506388.db2.gz OSJGGSCGPGLNKV-MSOLQXFVSA-N 0 3 370.457 0.768 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2oc(C)nc2C)[n-]1 ZINC001130195848 1201531320 /nfs/dbraw/zinc/53/13/20/1201531320.db2.gz GCMLAOHEWURMNL-STQMWFEESA-N 0 3 358.402 0.435 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=Cc2ccc[nH]2)[n-]1 ZINC001130204843 1201540405 /nfs/dbraw/zinc/54/04/05/1201540405.db2.gz MOXFCZXMCUCILM-MIVXPEEVSA-N 0 3 368.441 0.948 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)cc(C)n2)[n-]1 ZINC001130220527 1201543747 /nfs/dbraw/zinc/54/37/47/1201543747.db2.gz BOELQSGTHUKRSD-HOCLYGCPSA-N 0 3 368.441 0.842 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2ccncc2C)[n-]1 ZINC001130212966 1201544924 /nfs/dbraw/zinc/54/49/24/1201544924.db2.gz NBBXKXKRQMNPGH-HOTGVXAUSA-N 0 3 368.441 0.462 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](OCC)C2CC2)[n-]1 ZINC001130213067 1201545254 /nfs/dbraw/zinc/54/52/54/1201545254.db2.gz RWVZDYNBJGXWEE-OFQRWUPVSA-N 0 3 361.446 0.331 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cn2cc(C)cn2)[n-]1 ZINC001130200909 1201548700 /nfs/dbraw/zinc/54/87/00/1201548700.db2.gz ZTMNKDQIYXJWCA-GJZGRUSLSA-N 0 3 371.445 0.111 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2occc2CC)[n-]1 ZINC001130239932 1201549680 /nfs/dbraw/zinc/54/96/80/1201549680.db2.gz DHITWCSCJYUHBM-KBPBESRZSA-N 0 3 357.414 0.985 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnn(C)c2CC)[n-]1 ZINC001130223662 1201553012 /nfs/dbraw/zinc/55/30/12/1201553012.db2.gz ZYOHMZGREMTGJW-WFASDCNBSA-N 0 3 371.445 0.126 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(F)c[nH]2)[n-]1 ZINC001130225095 1201554059 /nfs/dbraw/zinc/55/40/59/1201554059.db2.gz RZXTXGXDWWFOFP-JSGCOSHPSA-N 0 3 360.393 0.687 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c[nH]c(=O)cc2C)[n-]1 ZINC001130235216 1201559494 /nfs/dbraw/zinc/55/94/94/1201559494.db2.gz ZEVHXFXQXPXDDD-JSGCOSHPSA-N 0 3 370.413 0.239 20 30 FCEDHN C=CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@H](C)C(N)=O)[n-]1 ZINC001130237842 1201559754 /nfs/dbraw/zinc/55/97/54/1201559754.db2.gz GBWXFWSASXYBTI-AGIUHOORSA-N 0 3 364.450 0.113 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cn2ccc(C)n2)[n-]1 ZINC001130237783 1201560698 /nfs/dbraw/zinc/56/06/98/1201560698.db2.gz DPGIRXASMFVUQN-GJZGRUSLSA-N 0 3 371.445 0.111 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnn(CC)c2C)[n-]1 ZINC001130242271 1201562822 /nfs/dbraw/zinc/56/28/22/1201562822.db2.gz PARSFPURKFNNLV-ZFWWWQNUSA-N 0 3 371.445 0.355 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCn2cccn2)CC1 ZINC001130274659 1201575300 /nfs/dbraw/zinc/57/53/00/1201575300.db2.gz XQDYGMHQJFGMCY-XLIONFOSSA-N 0 3 371.485 0.772 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CO[C@@H]2CCOC2)CC1 ZINC001130288431 1201577362 /nfs/dbraw/zinc/57/73/62/1201577362.db2.gz PDFOQCKOEMPWSH-MDZRGWNJSA-N 0 3 365.474 0.453 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](OC)C2CC2)CC1 ZINC001130288052 1201577775 /nfs/dbraw/zinc/57/77/75/1201577775.db2.gz IQJBMLBTMSCBRU-NEWSRXKRSA-N 0 3 361.486 0.910 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(CC#CC)CC1 ZINC001130290697 1201578132 /nfs/dbraw/zinc/57/81/32/1201578132.db2.gz KHCSDDYGCVEADU-WDYCEAGBSA-N 0 3 359.470 0.523 20 30 FCEDHN C#CCOCCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(CC#CC)CC1 ZINC001130291116 1201578593 /nfs/dbraw/zinc/57/85/93/1201578593.db2.gz XTTRWGLYBRDTDJ-XLIONFOSSA-N 0 3 359.470 0.525 20 30 FCEDHN C=CCCCCCN1C[C@@H](NC(=O)c2cnc3c(c2)nnn3C)[C@@H](O)C1 ZINC001220026311 1224732130 /nfs/dbraw/zinc/73/21/30/1224732130.db2.gz JAIKFTPYKJIYFJ-CVEARBPZSA-N 0 3 358.446 0.885 20 30 FCEDHN CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCc2cnn(C)c2)C1 ZINC001130583564 1202722605 /nfs/dbraw/zinc/72/26/05/1202722605.db2.gz GHEOFGRMDZDGDT-FUHWJXTLSA-N 0 3 354.458 0.897 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccnn3C)n[n-]2)O1 ZINC001130762013 1202778216 /nfs/dbraw/zinc/77/82/16/1202778216.db2.gz LQBXHWNHWXDPCW-GXTWGEPZSA-N 0 3 357.418 0.301 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3ccnn3C)n2)O1 ZINC001130762013 1202778221 /nfs/dbraw/zinc/77/82/21/1202778221.db2.gz LQBXHWNHWXDPCW-GXTWGEPZSA-N 0 3 357.418 0.301 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CCCCO3)n[n-]2)O1 ZINC001130775223 1202782817 /nfs/dbraw/zinc/78/28/17/1202782817.db2.gz PQTGIEQGXNRVMZ-RRFJBIMHSA-N 0 3 361.446 0.823 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@H]3CCCCO3)n2)O1 ZINC001130775223 1202782821 /nfs/dbraw/zinc/78/28/21/1202782821.db2.gz PQTGIEQGXNRVMZ-RRFJBIMHSA-N 0 3 361.446 0.823 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cncnc3C)n[n-]2)O1 ZINC001130767549 1202785299 /nfs/dbraw/zinc/78/52/99/1202785299.db2.gz LAIDZGOOZDKSHY-GXTWGEPZSA-N 0 3 355.402 0.276 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cncnc3C)n2)O1 ZINC001130767549 1202785300 /nfs/dbraw/zinc/78/53/00/1202785300.db2.gz LAIDZGOOZDKSHY-GXTWGEPZSA-N 0 3 355.402 0.276 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccncc3F)n[n-]2)O1 ZINC001130769596 1202786599 /nfs/dbraw/zinc/78/65/99/1202786599.db2.gz LHBXSMZWMNBGPX-SMDDNHRTSA-N 0 3 358.377 0.712 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3ccncc3F)n2)O1 ZINC001130769596 1202786603 /nfs/dbraw/zinc/78/66/03/1202786603.db2.gz LHBXSMZWMNBGPX-SMDDNHRTSA-N 0 3 358.377 0.712 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnccc3C)n[n-]2)O1 ZINC001130772472 1202787633 /nfs/dbraw/zinc/78/76/33/1202787633.db2.gz ONKCHUVKHGCFRA-DZGCQCFKSA-N 0 3 354.414 0.881 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cnccc3C)n2)O1 ZINC001130772472 1202787634 /nfs/dbraw/zinc/78/76/34/1202787634.db2.gz ONKCHUVKHGCFRA-DZGCQCFKSA-N 0 3 354.414 0.881 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3ccncc3C)n[n-]2)O1 ZINC001130785275 1202788889 /nfs/dbraw/zinc/78/88/89/1202788889.db2.gz JAHHRUPPRKRLCK-JKSUJKDBSA-N 0 3 368.441 0.810 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCc3ccncn3)n[n-]2)O1 ZINC001130785043 1202788908 /nfs/dbraw/zinc/78/89/08/1202788908.db2.gz BRKWIKFKXXWZJB-LSDHHAIUSA-N 0 3 369.429 0.287 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)CCc3ccncn3)n2)O1 ZINC001130785043 1202788912 /nfs/dbraw/zinc/78/89/12/1202788912.db2.gz BRKWIKFKXXWZJB-LSDHHAIUSA-N 0 3 369.429 0.287 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCOCC(F)F)n[n-]2)O1 ZINC001130785085 1202788959 /nfs/dbraw/zinc/78/89/59/1202788959.db2.gz DDKKILBGEGKFHW-NWDGAFQWSA-N 0 3 371.388 0.536 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)CCOCC(F)F)n2)O1 ZINC001130785085 1202788965 /nfs/dbraw/zinc/78/89/65/1202788965.db2.gz DDKKILBGEGKFHW-NWDGAFQWSA-N 0 3 371.388 0.536 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC3OCCCO3)n[n-]2)O1 ZINC001130778363 1202791566 /nfs/dbraw/zinc/79/15/66/1202791566.db2.gz TZSQZJJJFRZVMG-QWHCGFSZSA-N 0 3 363.418 0.017 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)CC3OCCCO3)n2)O1 ZINC001130778363 1202791572 /nfs/dbraw/zinc/79/15/72/1202791572.db2.gz TZSQZJJJFRZVMG-QWHCGFSZSA-N 0 3 363.418 0.017 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3ccn(C)n3)n[n-]2)O1 ZINC001130780806 1202792186 /nfs/dbraw/zinc/79/21/86/1202792186.db2.gz DQJOHOSJEMTHLV-LSDHHAIUSA-N 0 3 371.445 0.230 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)Cc3ccn(C)n3)n2)O1 ZINC001130780806 1202792188 /nfs/dbraw/zinc/79/21/88/1202792188.db2.gz DQJOHOSJEMTHLV-LSDHHAIUSA-N 0 3 371.445 0.230 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3c[nH]nc3CC)n[n-]2)O1 ZINC001130792788 1202799903 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C#CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC1CCC1 ZINC001225779172 1225822847 /nfs/dbraw/zinc/82/28/47/1225822847.db2.gz KYDOUXLNBJKZIW-HZPDHXFCSA-N 0 3 362.474 0.059 20 30 FCEDHN C#CCCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N[C@@H](C)C(=O)N(C)C ZINC001225928492 1225829156 /nfs/dbraw/zinc/82/91/56/1225829156.db2.gz GLSDZWGOBWIWPQ-ARFHVFGLSA-N 0 3 364.490 0.400 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1[nH]ccc1C ZINC001225960309 1225829386 /nfs/dbraw/zinc/82/93/86/1225829386.db2.gz CPZSJZNFKZBVBX-ZIAGYGMSSA-N 0 3 361.446 0.966 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2cnn(C)c2)CC1 ZINC001096608575 1218575844 /nfs/dbraw/zinc/57/58/44/1218575844.db2.gz YWHUNVZJHSPIBQ-QYZOEREBSA-N 0 3 355.486 0.987 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@@H](C)C(=O)N(C)C)CC1 ZINC001096605387 1218576419 /nfs/dbraw/zinc/57/64/19/1218576419.db2.gz MOFOOMUDLYAZIF-RANZSIQMSA-N 0 3 360.502 0.530 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCN2CCCC2=O)CC1 ZINC001096605401 1218576579 /nfs/dbraw/zinc/57/65/79/1218576579.db2.gz NHFHOCARVOYQCP-QYZOEREBSA-N 0 3 372.513 0.676 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2nncn2C)CC1 ZINC001096607434 1218576644 /nfs/dbraw/zinc/57/66/44/1218576644.db2.gz BTIUGLDSGGHOHA-IKGGRYGDSA-N 0 3 356.474 0.382 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@H]2CCCN(C)C2=O)CC1 ZINC001096608391 1218576800 /nfs/dbraw/zinc/57/68/00/1218576800.db2.gz WDDXQVNLMSQOLO-XWSJACJDSA-N 0 3 372.513 0.674 20 30 FCEDHN C#CCOCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NCC=C ZINC001226178347 1225834950 /nfs/dbraw/zinc/83/49/50/1225834950.db2.gz MWGKKOPIODSODL-HUUCEWRRSA-N 0 3 364.446 0.055 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnn(C2CCC2)c1 ZINC001226251791 1225837655 /nfs/dbraw/zinc/83/76/55/1225837655.db2.gz YPEKKGQWHWSHAI-IAGOWNOFSA-N 0 3 357.458 0.988 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cccn2nnnc12 ZINC001226442267 1225844242 /nfs/dbraw/zinc/84/42/42/1225844242.db2.gz SKKZHCVFQYOXGG-ZIAGYGMSSA-N 0 3 357.418 0.057 20 30 FCEDHN N#Cc1cccc(OCC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1 ZINC000748544621 1218789011 /nfs/dbraw/zinc/78/90/11/1218789011.db2.gz KQLPCNNFAMWJTB-KRWDZBQOSA-N 0 3 356.426 0.878 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)N[C@@H](C)CC)CC1 ZINC001111455315 1218847279 /nfs/dbraw/zinc/84/72/79/1218847279.db2.gz XMANRXDXKKWNMO-AITUJVMLSA-N 0 3 374.529 0.968 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC2CC2)CC1 ZINC001111455314 1218847453 /nfs/dbraw/zinc/84/74/53/1218847453.db2.gz XKQMLASMSBKWMQ-QRVBRYPASA-N 0 3 372.513 0.579 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc(NC(C)=O)cn1 ZINC001226656703 1225850357 /nfs/dbraw/zinc/85/03/57/1225850357.db2.gz KEZRFLOIMNNHOI-HZPDHXFCSA-N 0 3 371.441 0.420 20 30 FCEDHN CC(C)(C)n1cc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)nn1 ZINC001226666585 1225851063 /nfs/dbraw/zinc/85/10/63/1225851063.db2.gz RBQBEQLDYPTPJE-CHWSQXEVSA-N 0 3 361.450 0.303 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccnc2ccnn21 ZINC001226748808 1225853648 /nfs/dbraw/zinc/85/36/48/1225853648.db2.gz OVDSUKNWXGGPAY-ZIAGYGMSSA-N 0 3 354.414 0.109 20 30 FCEDHN CC#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1)C2 ZINC001054196423 1218899915 /nfs/dbraw/zinc/89/99/15/1218899915.db2.gz HAZXRPLNFALJIJ-SQGPQFPESA-N 0 3 361.486 0.960 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccnn1CCOC ZINC001226972881 1225859767 /nfs/dbraw/zinc/85/97/67/1225859767.db2.gz HGGIKCWHKWZBID-HUUCEWRRSA-N 0 3 363.462 0.462 20 30 FCEDHN COc1ccncc1CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N ZINC001227028100 1225861115 /nfs/dbraw/zinc/86/11/15/1225861115.db2.gz AKCTWAQWHCGSCC-HUUCEWRRSA-N 0 3 359.430 0.289 20 30 FCEDHN C=CCCC(=O)NCCN1CCC(NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001055538826 1219072163 /nfs/dbraw/zinc/07/21/63/1219072163.db2.gz NHBKDCHJBPDBSL-NVXWUHKLSA-N 0 3 366.506 0.369 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001227363284 1225871548 /nfs/dbraw/zinc/87/15/48/1225871548.db2.gz VKSKATXKFJBOML-RBSFLKMASA-N 0 3 365.478 0.096 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H]2CCN(C(C)=O)C2)[C@@H](n2ccnn2)C1 ZINC001070085899 1219156526 /nfs/dbraw/zinc/15/65/26/1219156526.db2.gz YBNHTGVFQIXAMT-BBWFWOEESA-N 0 3 360.462 0.454 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)Cn2ccccc2=O)[C@@H](n2ccnn2)C1 ZINC001070093861 1219163875 /nfs/dbraw/zinc/16/38/75/1219163875.db2.gz KPJBPBDPMHJEAG-CVEARBPZSA-N 0 3 356.430 0.448 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccn(CCOC)n1 ZINC001227413127 1225873547 /nfs/dbraw/zinc/87/35/47/1225873547.db2.gz JSPHEOIPOGHRQP-HUUCEWRRSA-N 0 3 363.462 0.462 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CCCC[C@H]1NC(=O)c1cn(C)ccc1=O ZINC001227419321 1225873906 /nfs/dbraw/zinc/87/39/06/1225873906.db2.gz QEGNNHFMTCLBFW-NUEKZKHPSA-N 0 3 360.458 0.707 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1nnc2ccccc2n1 ZINC001227543605 1225878436 /nfs/dbraw/zinc/87/84/36/1225878436.db2.gz LNXATXHGRWKATR-ZIAGYGMSSA-N 0 3 368.441 0.958 20 30 FCEDHN N#Cc1cc(C(=O)N2C[C@@H](NCCn3cccn3)[C@@H](n3ccnn3)C2)c[nH]1 ZINC001070178813 1219272017 /nfs/dbraw/zinc/27/20/17/1219272017.db2.gz LJXCAGMVVCLRBT-CVEARBPZSA-N 0 3 365.401 0.030 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cc(C(F)(F)F)nn2C)C[C@@H]1n1ccnn1 ZINC001070201782 1219290336 /nfs/dbraw/zinc/29/03/36/1219290336.db2.gz ZYKXQPAVNBSZCQ-PWSUYJOCSA-N 0 3 369.351 0.872 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C[C@@H]1n1ccnn1 ZINC001070206211 1219292413 /nfs/dbraw/zinc/29/24/13/1219292413.db2.gz MYTXGMGDQMHKCA-OAGGEKHMSA-N 0 3 360.462 0.310 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2c(C)oc3nc[nH]c(=O)c32)C[C@@H]1n1ccnn1 ZINC001070209018 1219294650 /nfs/dbraw/zinc/29/46/50/1219294650.db2.gz IWYAAQWMMGZCIL-NEPJUHHUSA-N 0 3 369.385 0.670 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cc2cnn3ccccc23)C[C@@H]1n1ccnn1 ZINC001070210438 1219295335 /nfs/dbraw/zinc/29/53/35/1219295335.db2.gz FGSJPORWVDNKNA-WBVHZDCISA-N 0 3 351.414 0.696 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C)c1cnn(C)c1 ZINC001227681220 1225882150 /nfs/dbraw/zinc/88/21/50/1225882150.db2.gz RPQQFQGBXKEWGW-DJIMGWMZSA-N 0 3 359.474 0.680 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cccc3oc(=O)[nH]c32)C[C@@H]1n1ccnn1 ZINC001070233437 1219310468 /nfs/dbraw/zinc/31/04/68/1219310468.db2.gz RHLXOSWVNRUGDF-OLZOCXBDSA-N 0 3 354.370 0.966 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cn(C)nc2[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001070242594 1219313663 /nfs/dbraw/zinc/31/36/63/1219313663.db2.gz JHKCMODRLPXJMA-BMFZPTHFSA-N 0 3 371.445 0.357 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](OC)c1cnn(C)c1 ZINC001227751219 1225883468 /nfs/dbraw/zinc/88/34/68/1225883468.db2.gz YHFZTCJGEBXSSM-BFYDXBDKSA-N 0 3 363.462 0.427 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C2CCN(CC(F)F)CC2)C[C@@H]1n1ccnn1 ZINC001070259466 1219329521 /nfs/dbraw/zinc/32/95/21/1219329521.db2.gz RIJVDCKBHDEZIL-CABCVRRESA-N 0 3 368.432 0.783 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cccc(-n3cncn3)c2)C[C@@H]1n1ccnn1 ZINC001070270987 1219339400 /nfs/dbraw/zinc/33/94/00/1219339400.db2.gz VWHLCMQEVHWCGL-SJORKVTESA-N 0 3 364.413 0.700 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cccn(CC(C)C)c2=O)C[C@@H]1n1ccnn1 ZINC001070289476 1219351788 /nfs/dbraw/zinc/35/17/88/1219351788.db2.gz DRQPJLIEXSVXEE-SJORKVTESA-N 0 3 370.457 0.937 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C[C@@H]1n1ccnn1 ZINC001070294505 1219355250 /nfs/dbraw/zinc/35/52/50/1219355250.db2.gz WSVVDILWUTVRBY-WCXIOVBPSA-N 0 3 371.445 0.107 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cn2ncc3ccccc32)C[C@@H]1n1ccnn1 ZINC001070297523 1219356770 /nfs/dbraw/zinc/35/67/70/1219356770.db2.gz AWZZWKHLMXESQU-WBVHZDCISA-N 0 3 351.414 0.856 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CCc2ccccc2C(N)=O)C[C@@H]1n1ccnn1 ZINC001070309748 1219367830 /nfs/dbraw/zinc/36/78/30/1219367830.db2.gz ADPCWFDOXYIUPP-SJORKVTESA-N 0 3 368.441 0.537 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CN2Cc3ccccc3C2=O)C[C@@H]1n1ccnn1 ZINC001070313390 1219370268 /nfs/dbraw/zinc/37/02/68/1219370268.db2.gz LJURDSCULJVYSG-SJORKVTESA-N 0 3 366.425 0.462 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cccc(NC(N)=O)c2)C[C@@H]1n1ccnn1 ZINC001070324673 1219375883 /nfs/dbraw/zinc/37/58/83/1219375883.db2.gz ZPNPVARQICBNOS-CABCVRRESA-N 0 3 355.402 0.610 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCC3)C[C@@H]1n1ccnn1 ZINC001070328082 1219379335 /nfs/dbraw/zinc/37/93/35/1219379335.db2.gz MNPWFQNLIJPMKN-CVEARBPZSA-N 0 3 354.414 0.709 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cc2c[nH]c3ncccc23)C[C@@H]1n1ccnn1 ZINC001070334882 1219383672 /nfs/dbraw/zinc/38/36/72/1219383672.db2.gz VDZJBMRVNBRWSM-CVEARBPZSA-N 0 3 351.414 0.925 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2c[nH]nc2C)CC1 ZINC001070375981 1219404089 /nfs/dbraw/zinc/40/40/89/1219404089.db2.gz BPZNFAKKLIEVNT-AEFFLSMTSA-N 0 3 357.458 0.830 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2nc(C)c[nH]2)CC1 ZINC001070380556 1219406073 /nfs/dbraw/zinc/40/60/73/1219406073.db2.gz MJRFUJFCPGJHQP-WBVHZDCISA-N 0 3 357.458 0.830 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2ccn(C)n2)CC1 ZINC001070382872 1219407828 /nfs/dbraw/zinc/40/78/28/1219407828.db2.gz WEQRGIBFBMBAFB-QAPCUYQASA-N 0 3 357.458 0.532 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C(C)C)C2)C[C@H]1c1cn(C)cn1 ZINC001070497564 1219440071 /nfs/dbraw/zinc/44/00/71/1219440071.db2.gz IIIBXDAXWQWFQI-HLLBOEOZSA-N 0 3 359.474 0.747 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2CCc3nccn3C2)C[C@H]1c1cn(C)cn1 ZINC001070506617 1219444414 /nfs/dbraw/zinc/44/44/14/1219444414.db2.gz JPXDYCFNHBMRQC-HLLBOEOZSA-N 0 3 354.458 0.949 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cc(C(N)=O)cn2C)C[C@H]1c1cn(C)cn1 ZINC001070510116 1219446750 /nfs/dbraw/zinc/44/67/50/1219446750.db2.gz QBXJAIPSLLYBIL-DZGCQCFKSA-N 0 3 356.430 0.241 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2CCCN(C(C)=O)C2)C[C@H]1c1cn(C)cn1 ZINC001070509647 1219446786 /nfs/dbraw/zinc/44/67/86/1219446786.db2.gz GELJQAJOPWDQSC-XYJFISCASA-N 0 3 359.474 0.749 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@H]1c1cn(C)cn1 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FCEDHN C=CCNC(=O)CNCCN(CCc1ccccc1)C(=O)[C@]12C[C@H]1COC2 ZINC001162817011 1223219945 /nfs/dbraw/zinc/21/99/45/1223219945.db2.gz LDMGWTICURXVQV-RXVVDRJESA-N 0 3 371.481 0.986 20 30 FCEDHN C#CCN1CCC2(CN(C(=O)CCCn3ccnn3)[C@@H]3COC[C@@H]32)CC1 ZINC001205502861 1223328717 /nfs/dbraw/zinc/32/87/17/1223328717.db2.gz RKDUMWHBPRGFEF-DLBZAZTESA-N 0 3 357.458 0.631 20 30 FCEDHN CN(C)C(=O)CCN1CC[C@]2(CCN(Cc3cncc(C#N)c3)C2)C1=O ZINC001276487409 1223349598 /nfs/dbraw/zinc/34/95/98/1223349598.db2.gz RTQQBBGHTRSHIL-IBGZPJMESA-N 0 3 355.442 0.856 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CCOCCNC(C)=O)C[C@H]1C ZINC001206986360 1223402294 /nfs/dbraw/zinc/40/22/94/1223402294.db2.gz BQNVWDBTEUWRBJ-DDBAPUKQSA-N 0 3 367.490 0.557 20 30 FCEDHN Cn1cc(CN2Cc3nccn3C[C@@H](CN3CCN(C)CC3)C2)cc1C#N ZINC001207105793 1223417082 /nfs/dbraw/zinc/41/70/82/1223417082.db2.gz ARAUZBLWZGUVCU-SFHVURJKSA-N 0 3 367.501 0.973 20 30 FCEDHN C=CCn1cccc1C(=O)N[C@@H]1CN(C[C@H](O)COCCOC)C[C@H]1C ZINC001207553364 1223455884 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C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1C ZINC001214212793 1223896013 /nfs/dbraw/zinc/89/60/13/1223896013.db2.gz NEJJZCIUSKXGJH-GDBMZVCRSA-N 0 3 362.474 0.150 20 30 FCEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CN(C(=O)CNC(=O)OC)C[C@H]1C ZINC001214222939 1223896993 /nfs/dbraw/zinc/89/69/93/1223896993.db2.gz UNNRANAALVCTNH-QLFBSQMISA-N 0 3 368.478 0.592 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@H]1C ZINC001214238249 1223897930 /nfs/dbraw/zinc/89/79/30/1223897930.db2.gz OBNCAFMALXAKKI-HZPDHXFCSA-N 0 3 360.462 0.390 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)OCCCC)C[C@H]1C ZINC001214282457 1223899632 /nfs/dbraw/zinc/89/96/32/1223899632.db2.gz HTMHCLSOGPRMSQ-RBSFLKMASA-N 0 3 368.478 0.640 20 30 FCEDHN CCNC(=O)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N(CC)CCC#N)C1 ZINC001214317626 1223900839 /nfs/dbraw/zinc/90/08/39/1223900839.db2.gz LWAUIIIDZFUCGE-HUUCEWRRSA-N 0 3 365.478 0.101 20 30 FCEDHN COC[C@H](C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#Cc2ccccc2)C1 ZINC001214324686 1223901421 /nfs/dbraw/zinc/90/14/21/1223901421.db2.gz JWPKSJXGRSATHT-ZIFCJYIRSA-N 0 3 371.481 0.873 20 30 FCEDHN C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#Cc2ccccc2)C1 ZINC001214338441 1223901970 /nfs/dbraw/zinc/90/19/70/1223901970.db2.gz RBLFUTROUBMCEV-LZLYRXPVSA-N 0 3 352.438 0.750 20 30 FCEDHN C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NCc2ccco2)C1 ZINC001214338269 1223902357 /nfs/dbraw/zinc/90/23/57/1223902357.db2.gz NKXYOXXMFRGQIJ-YRGRVCCFSA-N 0 3 361.402 0.202 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)C(=O)C(C)(C)C)C[C@H]1C ZINC001214358666 1223903895 /nfs/dbraw/zinc/90/38/95/1223903895.db2.gz KBMFIIQGQGISFL-FRRDWIJNSA-N 0 3 366.462 0.438 20 30 FCEDHN COCCCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C ZINC001214406922 1223908064 /nfs/dbraw/zinc/90/80/64/1223908064.db2.gz LKTXABKMXJSXAK-DVOMOZLQSA-N 0 3 361.446 0.478 20 30 FCEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1C ZINC001214428564 1223908968 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3 365.478 0.101 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)c2ccnn2CC)C[C@H]1C ZINC001214495950 1223915356 /nfs/dbraw/zinc/91/53/56/1223915356.db2.gz QWLVDBMIDZASFB-HUUCEWRRSA-N 0 3 360.462 0.715 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)CC2OCCCO2)C[C@H]1C ZINC001214508210 1223917070 /nfs/dbraw/zinc/91/70/70/1223917070.db2.gz GJSZNXRBTUETGS-HUUCEWRRSA-N 0 3 366.462 0.338 20 30 FCEDHN C#CCCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)N[C@H](C)COC)C1 ZINC001214514406 1223917765 /nfs/dbraw/zinc/91/77/65/1223917765.db2.gz WZHYYZLDDKOITF-RBSFLKMASA-N 0 3 366.462 0.087 20 30 FCEDHN C=C[C@](C)(O)CC(=O)N1C[C@@H](C)[C@H](NCC(=O)Nc2cc(C)nn2C)C1 ZINC001214535302 1223919298 /nfs/dbraw/zinc/91/92/98/1223919298.db2.gz NZSITPLSCJKCMY-DFHBCGBQSA-N 0 3 363.462 0.431 20 30 FCEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)c2cnnn2CC)C[C@H]1C ZINC001214561755 1223921890 /nfs/dbraw/zinc/92/18/90/1223921890.db2.gz BUGCVDDYASTQEV-HUUCEWRRSA-N 0 3 360.462 0.549 20 30 FCEDHN 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ZINC001214692731 1223933279 /nfs/dbraw/zinc/93/32/79/1223933279.db2.gz HMVNZIBKVWADGO-IUODEOHRSA-N 0 3 362.430 0.057 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CNC(=O)C2CCCC2)C[C@H]1C ZINC001214692589 1223933314 /nfs/dbraw/zinc/93/33/14/1223933314.db2.gz CSUDCDGDUZWQAO-IIAWOOMASA-N 0 3 364.490 0.420 20 30 FCEDHN COc1cccc2c1n[nH]c2C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1 ZINC001214734575 1223936896 /nfs/dbraw/zinc/93/68/96/1223936896.db2.gz NUHSSRCBFGUJGZ-DGCLKSJQSA-N 0 3 370.413 0.261 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cnc3cc[nH]cc-3c2=O)C[C@H]1C ZINC001214735215 1223937204 /nfs/dbraw/zinc/93/72/04/1223937204.db2.gz XRTCIZBHCBOCPK-MLGOLLRUSA-N 0 3 369.425 0.275 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ccnn2CC(C)C)C[C@H]1C ZINC001214741426 1223937590 /nfs/dbraw/zinc/93/75/90/1223937590.db2.gz KWGXNZKOIFEZON-BZUAXINKSA-N 0 3 359.474 0.727 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C2C=CC=CC=C2)C[C@H]1C ZINC001214736984 1223937731 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C=CCCCCCN1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129271978 1259362196 /nfs/dbraw/zinc/36/21/96/1259362196.db2.gz UATXVVZVTATDCF-QXSJWSMHSA-N 0 3 360.462 0.487 20 30 FCEDHN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1n1ccnn1 ZINC001129307785 1259370014 /nfs/dbraw/zinc/37/00/14/1259370014.db2.gz OHTMUDLQIAXEAD-ZACQAIPSSA-N 0 3 360.462 0.501 20 30 FCEDHN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CN(CCCC)C[C@@H]1n1ccnn1 ZINC001129307730 1259370093 /nfs/dbraw/zinc/37/00/93/1259370093.db2.gz MCVGWFIKJRBKPG-ZACQAIPSSA-N 0 3 362.478 0.891 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCn2cc(C)cn2)[n-]1 ZINC001130251125 1259376106 /nfs/dbraw/zinc/37/61/06/1259376106.db2.gz CORSTKFBVXVNHH-GJZGRUSLSA-N 0 3 371.445 0.111 20 30 FCEDHN CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCCO[C@H](CNCC(=O)NCC#N)C1 ZINC001200548832 1259416158 /nfs/dbraw/zinc/41/61/58/1259416158.db2.gz WSMYKQRGNBSBFX-ARFHVFGLSA-N 0 3 364.490 0.906 20 30 FCEDHN COCC#CCN[C@@H]1CN(C(=O)[C@H](COC)OC)C[C@H]1c1ccccc1 ZINC001211670831 1259425679 /nfs/dbraw/zinc/42/56/79/1259425679.db2.gz KZUDERRUAGWMHW-OTWHNJEPSA-N 0 3 360.454 0.882 20 30 FCEDHN COCC#CCN[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1c1ccccc1 ZINC001211675742 1259426567 /nfs/dbraw/zinc/42/65/67/1259426567.db2.gz YJAMFNVBYUBVHP-UEXGIBASSA-N 0 3 369.465 0.747 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C2(CC#C)CCOCC2)C[C@H]1C ZINC001214831451 1259533731 /nfs/dbraw/zinc/53/37/31/1259533731.db2.gz CVFRGAUCHMTINR-BRWVUGGUSA-N 0 3 359.470 0.381 20 30 FCEDHN C#CCC1(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(=O)NCC)C2)CCC1 ZINC001214831904 1259534015 /nfs/dbraw/zinc/53/40/15/1259534015.db2.gz WAVRGHMAKJWPNL-QLFBSQMISA-N 0 3 362.474 0.851 20 30 FCEDHN N#Cc1cc(CN2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)ccn1 ZINC001237463113 1259599478 /nfs/dbraw/zinc/59/94/78/1259599478.db2.gz KFTPPPGTJTXVBU-LMMKCTJWSA-N 0 3 370.453 0.897 20 30 FCEDHN C#CCOC[C@@H](O)CN1CCC(NC(=O)c2cccc(C(=O)OC)c2)CC1 ZINC001251832520 1259762799 /nfs/dbraw/zinc/76/27/99/1259762799.db2.gz LPEWGCSFLARTET-SFHVURJKSA-N 0 3 374.437 0.678 20 30 FCEDHN C#CCOC[C@H](O)CN1C[C@@H](NC(=O)c2cccnc2)[C@H]2OCCC[C@H]2C1 ZINC001251840086 1259764528 /nfs/dbraw/zinc/76/45/28/1259764528.db2.gz LZPBCRSZNDVXLH-MANSERQUSA-N 0 3 373.453 0.302 20 30 FCEDHN C#CCOC[C@@H](O)CN1CC[C@H]2O[C@@H](C(=O)N(C)Cc3ccccn3)C[C@H]21 ZINC001251844486 1259765650 /nfs/dbraw/zinc/76/56/50/1259765650.db2.gz RSXHQEIKEQEVCP-WJFTUGDTSA-N 0 3 373.453 0.283 20 30 FCEDHN C=C[C@H](O)CN1CCC2(CN(C(=O)N(C)C)C[C@]23CCN(C)C3=O)CC1 ZINC001253575668 1259843967 /nfs/dbraw/zinc/84/39/67/1259843967.db2.gz BEERYINWIFSMTK-KXBFYZLASA-N 0 3 364.490 0.461 20 30 FCEDHN CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN([C@H]1CC[C@@H](C#N)C1)C2 ZINC001254663241 1259891857 /nfs/dbraw/zinc/89/18/57/1259891857.db2.gz PFKAMTOQKPXTGD-JTDSTZFVSA-N 0 3 370.457 0.752 20 30 FCEDHN COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2C(=O)N([O-])C[C@@H]2C)CCN1C(=O)OC(C)(C)C ZINC001256500401 1259953416 /nfs/dbraw/zinc/95/34/16/1259953416.db2.gz JDKIGEJCRPZCKP-RNJOBUHISA-N 0 3 371.434 0.753 20 30 FCEDHN C=C[C@H]1CCCCN1C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC001257795860 1260030092 /nfs/dbraw/zinc/03/00/92/1260030092.db2.gz ATJLNIZSJULIKY-HOTGVXAUSA-N 0 3 364.490 0.612 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N(C)C2CCC(NC(C)=O)CC2)CC1 ZINC001258212466 1260038513 /nfs/dbraw/zinc/03/85/13/1260038513.db2.gz XKBMWVYNSPWUNA-UHFFFAOYSA-N 0 3 364.490 0.659 20 30 FCEDHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCc1cccc(OCC#N)c1 ZINC001261380204 1260129756 /nfs/dbraw/zinc/12/97/56/1260129756.db2.gz ZFSZKIMEEPMQHL-WFASDCNBSA-N 0 3 360.414 0.434 20 30 FCEDHN CC(C)N(CCN(C)C)C(=O)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 ZINC001261899068 1260211913 /nfs/dbraw/zinc/21/19/13/1260211913.db2.gz RMPLONZEORDUQK-UHFFFAOYSA-N 0 3 372.473 0.400 20 30 FCEDHN Cn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1C(C)(C)CC#N ZINC001338248315 1260598967 /nfs/dbraw/zinc/59/89/67/1260598967.db2.gz STDOFGKOPSEXMJ-UHFFFAOYSA-N 0 3 359.478 0.751 20 30 FCEDHN C[C@H]1CN2CCN1C[C@H]2C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001345550181 1261737198 /nfs/dbraw/zinc/73/71/98/1261737198.db2.gz ZBXBTTDWPKUPDQ-PXNSSMCTSA-N 0 3 367.497 0.981 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)[C@@H](CC)N(C)C)[C@H](OC)C2)cn1 ZINC001289503296 1262227748 /nfs/dbraw/zinc/22/77/48/1262227748.db2.gz PHCHLVIDIGNMHL-BRWVUGGUSA-N 0 3 358.442 0.359 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)Cc2occc2C)C[C@H]1C ZINC001316596704 1263383144 /nfs/dbraw/zinc/38/31/44/1263383144.db2.gz JVJKWPDBPWYTAW-ZIAGYGMSSA-N 0 3 362.430 0.579 20 30 FCEDHN CNC(=O)NCC(=O)N1C[C@H]2CCN(Cc3ccc(C#N)cc3)C[C@H]2C1 ZINC001316754766 1263458079 /nfs/dbraw/zinc/45/80/79/1263458079.db2.gz ZTHDAPBLNLGDRF-SJORKVTESA-N 0 3 355.442 0.768 20 30 FCEDHN COCCN(CCN(C)C)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 ZINC001318315000 1263561758 /nfs/dbraw/zinc/56/17/58/1263561758.db2.gz WTCLCPSECUVLQO-INIZCTEOSA-N 0 3 358.442 0.948 20 30 FCEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC001321584576 1264001656 /nfs/dbraw/zinc/00/16/56/1264001656.db2.gz NTNYLHOVABGVND-DLBZAZTESA-N 0 3 366.506 0.228 20 30 FCEDHN COCCN1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 ZINC001322564575 1264219116 /nfs/dbraw/zinc/21/91/16/1264219116.db2.gz ATAWQPNSWFKKDU-HZPDHXFCSA-N 0 3 356.426 0.748 20 30 FCEDHN C#CCOCCNC(=O)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC001323027007 1264320394 /nfs/dbraw/zinc/32/03/94/1264320394.db2.gz OLJOVNCYUHBIAK-OAHLLOKOSA-N 0 3 358.442 0.489 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC001323247219 1264378130 /nfs/dbraw/zinc/37/81/30/1264378130.db2.gz RQPFWQNKNPBSNF-AWEZNQCLSA-N 0 3 362.474 0.270 20 30 FCEDHN C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC[C@@H]1O ZINC001324793137 1264701881 /nfs/dbraw/zinc/70/18/81/1264701881.db2.gz JOPICVBJUCZCFN-YJBOKZPZSA-N 0 3 372.469 0.678 20 30 FCEDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 ZINC001326248025 1265083915 /nfs/dbraw/zinc/08/39/15/1265083915.db2.gz FSZPBZQAOAWFKP-XLIONFOSSA-N 0 3 370.453 0.596 20 30 FCEDHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)c1ccc(C#N)[nH]1 ZINC001580407597 1278245018 /nfs/dbraw/zinc/24/50/18/1278245018.db2.gz LXTWLKBTGAQGCZ-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)c1ccc(C#N)[nH]1 ZINC001580407597 1278245027 /nfs/dbraw/zinc/24/50/27/1278245027.db2.gz LXTWLKBTGAQGCZ-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN N#Cc1ccc(N2C[C@H](C(=O)N[C@H](CO)CN3CCCCC3)CC2=O)cc1 ZINC001327375665 1265294879 /nfs/dbraw/zinc/29/48/79/1265294879.db2.gz IKYCWNNKFADDBK-SJORKVTESA-N 0 3 370.453 0.874 20 30 FCEDHN COCCn1c(C2CCN(C)CC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001514747693 1265371555 /nfs/dbraw/zinc/37/15/55/1265371555.db2.gz LECTUHKIIQDMSO-QGZVFWFLSA-N 0 3 373.505 0.910 20 30 FCEDHN C=CCn1c(-c2ccc(=O)[nH]n2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001338871418 1268110851 /nfs/dbraw/zinc/11/08/51/1268110851.db2.gz QPYMNYMHOGPNHF-UHFFFAOYSA-N 0 3 371.445 0.928 20 30 FCEDHN Cn1c(C#N)ccc1-c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C ZINC001339838675 1268342718 /nfs/dbraw/zinc/34/27/18/1268342718.db2.gz HRRJHKJRZAREGM-AWEZNQCLSA-N 0 3 355.446 0.851 20 30 FCEDHN Cn1c(C#N)ccc1-c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1C ZINC001339838677 1268342844 /nfs/dbraw/zinc/34/28/44/1268342844.db2.gz HRRJHKJRZAREGM-CQSZACIVSA-N 0 3 355.446 0.851 20 30 FCEDHN C=CCn1c(N2CCN(C[C@H]3CCOC3)CC2)nnc1[C@]1(O)CCOC1 ZINC001340770538 1268650321 /nfs/dbraw/zinc/65/03/21/1268650321.db2.gz CPHJCMTUAKDZHD-QAPCUYQASA-N 0 3 363.462 0.231 20 30 FCEDHN C=CCCC[C@@H](N)C(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC001341697453 1269156532 /nfs/dbraw/zinc/15/65/32/1269156532.db2.gz QCUBGCWDWZRBMA-QGZVFWFLSA-N 0 3 369.473 0.990 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC[C@@H](c3nc(C)no3)C2)CC1 ZINC001341899811 1269259004 /nfs/dbraw/zinc/25/90/04/1269259004.db2.gz VOPFMWREDUMKQZ-CQSZACIVSA-N 0 3 361.446 0.851 20 30 FCEDHN C=CCn1c(Cn2cnc(C#N)n2)nnc1N1CCN(CC(C)C)CC1 ZINC001342426260 1269466722 /nfs/dbraw/zinc/46/67/22/1269466722.db2.gz DTBXIWOTDUGKFO-UHFFFAOYSA-N 0 3 355.450 0.754 20 30 FCEDHN COCCn1c(C2CCN(CCO)CC2)nnc1N(C)C[C@@H](C)C#N ZINC001342758109 1269593771 /nfs/dbraw/zinc/59/37/71/1269593771.db2.gz OVAVIIURNIHOQI-AWEZNQCLSA-N 0 3 350.467 0.692 20 30 FCEDHN C=C(C)Cn1c([C@@H](C)O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001342777205 1269602495 /nfs/dbraw/zinc/60/24/95/1269602495.db2.gz AXLFZWHCXUIPPG-HUUCEWRRSA-N 0 3 362.478 0.650 20 30 FCEDHN Cn1ncc2c1nc(CCC(=O)C(C#N)C(=O)NC1CCCC1)[nH]c2=O ZINC001343983156 1270067747 /nfs/dbraw/zinc/06/77/47/1270067747.db2.gz QBKKWFGLHNOZJW-LLVKDONJSA-N 0 3 356.386 0.769 20 30 FCEDHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NCCCC#N)CC1 ZINC001345009901 1270298163 /nfs/dbraw/zinc/29/81/63/1270298163.db2.gz FVZDWALZMVFOEM-UHFFFAOYSA-N 0 3 371.485 0.860 20 30 FCEDHN C=CCn1c(C2CCCC2)nnc1N1C[C@@H]2[C@H](N)CS(=O)(=O)[C@@H]2C1 ZINC001574952677 1271685025 /nfs/dbraw/zinc/68/50/25/1271685025.db2.gz VOBVBRBDBQCADE-MGPQQGTHSA-N 0 3 351.476 0.682 20 30 FCEDHN C=C(C)CN1CCN(CCNC(=O)c2ccc(-c3c[nH]nn3)nc2)CC1 ZINC001575049170 1271700362 /nfs/dbraw/zinc/70/03/62/1271700362.db2.gz XQFYXNYPMUMMIW-UHFFFAOYSA-N 0 3 355.446 0.790 20 30 FCEDHN C=C(Cl)CNC[C@H](O)CNC(=O)c1ccc(OCc2cn[nH]n2)cc1 ZINC001575059732 1271703691 /nfs/dbraw/zinc/70/36/91/1271703691.db2.gz PFMXNWREFUDZKJ-AWEZNQCLSA-N 0 3 365.821 0.817 20 30 FCEDHN C=CCN1CC[C@H](N2CCC[C@@H]2CNC(=O)CCCc2cn[nH]n2)C1=O ZINC001575103416 1271719527 /nfs/dbraw/zinc/71/95/27/1271719527.db2.gz BSECRUJLULSMCZ-CVEARBPZSA-N 0 3 360.462 0.495 20 30 FCEDHN C=CCN1CC[C@H](N2CCC[C@@H]2CNC(=O)CCCc2c[nH]nn2)C1=O ZINC001575103416 1271719534 /nfs/dbraw/zinc/71/95/34/1271719534.db2.gz BSECRUJLULSMCZ-CVEARBPZSA-N 0 3 360.462 0.495 20 30 FCEDHN C=CCNC(=O)CNC[C@H](C)N(C)C(=O)c1ccc(-c2c[nH]nn2)cn1 ZINC001575108027 1271721215 /nfs/dbraw/zinc/72/12/15/1271721215.db2.gz DFENXTBTLHEZAA-LBPRGKRZSA-N 0 3 357.418 0.219 20 30 FCEDHN CC#CCN1CCC(N(Cc2cn[nH]n2)C(=O)Cc2cnn(C)c2C)CC1 ZINC001575123652 1271733907 /nfs/dbraw/zinc/73/39/07/1271733907.db2.gz UPQADVJHLDHFGM-UHFFFAOYSA-N 0 3 369.473 0.906 20 30 FCEDHN CC#CCN1CCC(N(Cc2cn[nH]n2)C(=O)[C@@H]2C[C@@H]2C(=O)OC)CC1 ZINC001575123155 1271734711 /nfs/dbraw/zinc/73/47/11/1271734711.db2.gz OGJFYXITGLYOET-CVEARBPZSA-N 0 3 359.430 0.430 20 30 FCEDHN CN(CC(=O)NCc1c[nH]nn1)[C@@H]1CCCN(C(=O)C#CC(C)(C)C)C1 ZINC001576761913 1273636137 /nfs/dbraw/zinc/63/61/37/1273636137.db2.gz NUCVSJWZNNGLFX-OAHLLOKOSA-N 0 3 360.462 0.393 20 30 FCEDHN CN(CC(=O)NCc1c[nH]nn1)[C@H]1CCCN(C(=O)C#CC(C)(C)C)C1 ZINC001576761912 1273637688 /nfs/dbraw/zinc/63/76/88/1273637688.db2.gz NUCVSJWZNNGLFX-HNNXBMFYSA-N 0 3 360.462 0.393 20 30 FCEDHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)c1cc(C#N)c[nH]1 ZINC001580274377 1278068908 /nfs/dbraw/zinc/06/89/08/1278068908.db2.gz SLFRDANDZDGFGD-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)c1cc(C#N)c[nH]1 ZINC001580274377 1278068918 /nfs/dbraw/zinc/06/89/18/1278068918.db2.gz SLFRDANDZDGFGD-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN N#Cc1ccc(C[NH2+]C[C@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)s1 ZINC001581871947 1280626819 /nfs/dbraw/zinc/62/68/19/1280626819.db2.gz BRMFMVSRMMKRMS-JTQLQIEISA-N 0 3 372.414 0.008 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588355660 1282456073 /nfs/dbraw/zinc/45/60/73/1282456073.db2.gz LBMZLKWYLKJSMK-RHSMWYFYSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588355660 1282456078 /nfs/dbraw/zinc/45/60/78/1282456078.db2.gz LBMZLKWYLKJSMK-RHSMWYFYSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588356498 1282460787 /nfs/dbraw/zinc/46/07/87/1282460787.db2.gz XVEFFHONRVTVDQ-CQSZACIVSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@H](C)C(=O)NCCC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588356807 1282460860 /nfs/dbraw/zinc/46/08/60/1282460860.db2.gz GIRJFNZPBVMLTN-GFCCVEGCSA-N 0 3 360.393 0.640 20 30 FCEDHN C#CCO[C@H](C)C(=O)NCCC[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588356807 1282460867 /nfs/dbraw/zinc/46/08/67/1282460867.db2.gz GIRJFNZPBVMLTN-GFCCVEGCSA-N 0 3 360.393 0.640 20 30 FCEDHN C#CCO[C@H](C)C(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588358012 1282466198 /nfs/dbraw/zinc/46/61/98/1282466198.db2.gz RWGPZEXVROEXRQ-UONOGXRCSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@H](C)C(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588358012 1282466200 /nfs/dbraw/zinc/46/62/00/1282466200.db2.gz RWGPZEXVROEXRQ-UONOGXRCSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@H](C)C(=O)N(CC)CC[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001588358448 1282468883 /nfs/dbraw/zinc/46/88/83/1282468883.db2.gz SHPMUFCPVGQGDL-CQSZACIVSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCO[C@H](C)C(=O)N(CC)CC[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001588358448 1282468890 /nfs/dbraw/zinc/46/88/90/1282468890.db2.gz SHPMUFCPVGQGDL-CQSZACIVSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCOCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588359654 1282476127 /nfs/dbraw/zinc/47/61/27/1282476127.db2.gz WBVAFOGVMWQQDC-RHSMWYFYSA-N 0 3 368.441 0.843 20 30 FCEDHN C#CCOCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001588359654 1282476129 /nfs/dbraw/zinc/47/61/29/1282476129.db2.gz WBVAFOGVMWQQDC-RHSMWYFYSA-N 0 3 368.441 0.843 20 30 FCEDHN C=C(C)C[C@H](CO)NCCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC001588404171 1282499563 /nfs/dbraw/zinc/49/95/63/1282499563.db2.gz DSLCXDNXRVAYOU-CYBMUJFWSA-N 0 3 351.432 0.557 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)NCCC[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588504051 1282541997 /nfs/dbraw/zinc/54/19/97/1282541997.db2.gz IHJKIAQLZCFILN-QGZVFWFLSA-N 0 3 362.409 0.929 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)NCCC[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588504051 1282542006 /nfs/dbraw/zinc/54/20/06/1282542006.db2.gz IHJKIAQLZCFILN-QGZVFWFLSA-N 0 3 362.409 0.929 20 30 FCEDHN C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001588577008 1282573598 /nfs/dbraw/zinc/57/35/98/1282573598.db2.gz AEQCHODGKZCSNG-QWHCGFSZSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001588577008 1282573610 /nfs/dbraw/zinc/57/36/10/1282573610.db2.gz AEQCHODGKZCSNG-QWHCGFSZSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001588601153 1282580153 /nfs/dbraw/zinc/58/01/53/1282580153.db2.gz WKIFEBCSEDMZRP-CQSZACIVSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCCC[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001588601153 1282580165 /nfs/dbraw/zinc/58/01/65/1282580165.db2.gz WKIFEBCSEDMZRP-CQSZACIVSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001588601153 1282580174 /nfs/dbraw/zinc/58/01/74/1282580174.db2.gz WKIFEBCSEDMZRP-CQSZACIVSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCCC[N@H+]1CCCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001588601153 1282580183 /nfs/dbraw/zinc/58/01/83/1282580183.db2.gz WKIFEBCSEDMZRP-CQSZACIVSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001588600575 1282580544 /nfs/dbraw/zinc/58/05/44/1282580544.db2.gz HEBWRULPDFMSEE-SWLSCSKDSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001588600575 1282580552 /nfs/dbraw/zinc/58/05/52/1282580552.db2.gz HEBWRULPDFMSEE-SWLSCSKDSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001588601145 1282581535 /nfs/dbraw/zinc/58/15/35/1282581535.db2.gz WIESLHZDXWMYDN-DOMZBBRYSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001588601145 1282581549 /nfs/dbraw/zinc/58/15/49/1282581549.db2.gz WIESLHZDXWMYDN-DOMZBBRYSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCN1CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1=O ZINC001588657840 1282607446 /nfs/dbraw/zinc/60/74/46/1282607446.db2.gz YCAQBMKNADKLJT-DGCLKSJQSA-N 0 3 372.433 0.032 20 30 FCEDHN C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](C)C1 ZINC001588660150 1282612467 /nfs/dbraw/zinc/61/24/67/1282612467.db2.gz WVURJUIYQSXTHU-NWDGAFQWSA-N 0 3 372.433 0.080 20 30 FCEDHN C=CCNC(=O)C[NH2+]C1CCC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001588660094 1282612983 /nfs/dbraw/zinc/61/29/83/1282612983.db2.gz WDBGBEFEYSMCNF-UHFFFAOYSA-N 0 3 372.433 0.128 20 30 FCEDHN C=CCOCC[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](C)C1 ZINC001588682161 1282641494 /nfs/dbraw/zinc/64/14/94/1282641494.db2.gz CFDGWYBUQIXVJX-QWHCGFSZSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](C)C1 ZINC001588682161 1282641509 /nfs/dbraw/zinc/64/15/09/1282641509.db2.gz CFDGWYBUQIXVJX-QWHCGFSZSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC[C@H]21 ZINC001588682528 1282642796 /nfs/dbraw/zinc/64/27/96/1282642796.db2.gz HLKWTJONUXBFJV-CZUORRHYSA-N 0 3 371.445 0.934 20 30 FCEDHN C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC[C@H]21 ZINC001588682528 1282642806 /nfs/dbraw/zinc/64/28/06/1282642806.db2.gz HLKWTJONUXBFJV-CZUORRHYSA-N 0 3 371.445 0.934 20 30 FCEDHN C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC[C@H]21 ZINC001588682528 1282642826 /nfs/dbraw/zinc/64/28/26/1282642826.db2.gz HLKWTJONUXBFJV-CZUORRHYSA-N 0 3 371.445 0.934 20 30 FCEDHN C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC[C@H]21 ZINC001588682528 1282642848 /nfs/dbraw/zinc/64/28/48/1282642848.db2.gz HLKWTJONUXBFJV-CZUORRHYSA-N 0 3 371.445 0.934 20 30 FCEDHN CC#CCCCC(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001588740854 1282682652 /nfs/dbraw/zinc/68/26/52/1282682652.db2.gz YIGYCFMPLUGMCW-OAHLLOKOSA-N 0 3 374.420 0.766 20 30 FCEDHN CC#CCCCC(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001588740854 1282682660 /nfs/dbraw/zinc/68/26/60/1282682660.db2.gz YIGYCFMPLUGMCW-OAHLLOKOSA-N 0 3 374.420 0.766 20 30 FCEDHN CC(C)C#CC(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001589380055 1282854528 /nfs/dbraw/zinc/85/45/28/1282854528.db2.gz KWSJTFKMFZVMND-INIZCTEOSA-N 0 3 370.457 0.777 20 30 FCEDHN CC(C)C#CC(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001589380055 1282854537 /nfs/dbraw/zinc/85/45/37/1282854537.db2.gz KWSJTFKMFZVMND-INIZCTEOSA-N 0 3 370.457 0.777 20 30 FCEDHN CC(C)C#CC(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001589380055 1282854546 /nfs/dbraw/zinc/85/45/46/1282854546.db2.gz KWSJTFKMFZVMND-INIZCTEOSA-N 0 3 370.457 0.777 20 30 FCEDHN CC(C)C#CC(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001589380055 1282854551 /nfs/dbraw/zinc/85/45/51/1282854551.db2.gz KWSJTFKMFZVMND-INIZCTEOSA-N 0 3 370.457 0.777 20 30 FCEDHN CN(CCOCC[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C(=O)C#CC1CC1 ZINC001591112944 1284188250 /nfs/dbraw/zinc/18/82/50/1284188250.db2.gz RYDCFDIDJOTUNU-UHFFFAOYSA-N 0 3 368.441 0.845 20 30 FCEDHN CN(CCOCC[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C(=O)C#CC1CC1 ZINC001591112944 1284188254 /nfs/dbraw/zinc/18/82/54/1284188254.db2.gz RYDCFDIDJOTUNU-UHFFFAOYSA-N 0 3 368.441 0.845 20 30 FCEDHN COC(=O)[C@H]1CCN(C(=O)C(C#N)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591252571 1284409572 /nfs/dbraw/zinc/40/95/72/1284409572.db2.gz LQGLBSAIZHCMBK-KBPBESRZSA-N 0 3 354.370 0.570 20 30 FCEDHN COCC#CC[NH2+]C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001591360394 1284495829 /nfs/dbraw/zinc/49/58/29/1284495829.db2.gz CBCXWTROJGCGHR-AWEZNQCLSA-N 0 3 359.434 0.579 20 30 FCEDHN COCC#CC[NH2+]C1CC2(CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001591360723 1284496156 /nfs/dbraw/zinc/49/61/56/1284496156.db2.gz GCWPKNWIEMYAPT-UHFFFAOYSA-N 0 3 369.429 0.475 20 30 FCEDHN COCC#CC[NH2+]C1CC2(CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001591360723 1284496161 /nfs/dbraw/zinc/49/61/61/1284496161.db2.gz GCWPKNWIEMYAPT-UHFFFAOYSA-N 0 3 369.429 0.475 20 30 FCEDHN COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@@H]1C ZINC001591360453 1284496262 /nfs/dbraw/zinc/49/62/62/1284496262.db2.gz DAYOBUFNQXINCA-DZGCQCFKSA-N 0 3 371.445 0.532 20 30 FCEDHN COCC#CC[NH2+]C1(C)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001591362829 1284499003 /nfs/dbraw/zinc/49/90/03/1284499003.db2.gz XZLYAGVELRWTLG-UHFFFAOYSA-N 0 3 357.418 0.429 20 30 FCEDHN COCC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001591362721 1284499407 /nfs/dbraw/zinc/49/94/07/1284499407.db2.gz WRETTXAMFVLUCS-QWHCGFSZSA-N 0 3 357.418 0.285 20 30 FCEDHN COCC#CC[NH2+]CC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCCC1 ZINC001591362734 1284499677 /nfs/dbraw/zinc/49/96/77/1284499677.db2.gz WVOYWSQMVIBIBT-UHFFFAOYSA-N 0 3 371.445 0.867 20 30 FCEDHN COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C12CCC2 ZINC001591362788 1284500037 /nfs/dbraw/zinc/50/00/37/1284500037.db2.gz XQYZEYQWZXIIRK-LSDHHAIUSA-N 0 3 369.429 0.475 20 30 FCEDHN N#Cc1c[nH]c(C(=O)NCC[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001592686839 1285582475 /nfs/dbraw/zinc/58/24/75/1285582475.db2.gz VNYJJMKROYKNSO-UHFFFAOYSA-N 0 3 354.349 0.725 20 30 FCEDHN N#Cc1c[nH]c(C(=O)NCC[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001592686839 1285582479 /nfs/dbraw/zinc/58/24/79/1285582479.db2.gz VNYJJMKROYKNSO-UHFFFAOYSA-N 0 3 354.349 0.725 20 30 FCEDHN N#Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4-c4nnn[n-]4)C[C@H]32)c[nH]1 ZINC001592688011 1285583328 /nfs/dbraw/zinc/58/33/28/1285583328.db2.gz RWZOTVCUWBCWGI-FVQHAEBGSA-N 0 3 374.408 0.927 20 30 FCEDHN N#Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4-c4nnn[n-]4)C[C@H]32)c[nH]1 ZINC001592688011 1285583337 /nfs/dbraw/zinc/58/33/37/1285583337.db2.gz RWZOTVCUWBCWGI-FVQHAEBGSA-N 0 3 374.408 0.927 20 30 FCEDHN N#Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4-c4nn[n-]n4)C[C@H]32)c[nH]1 ZINC001592688011 1285583342 /nfs/dbraw/zinc/58/33/42/1285583342.db2.gz RWZOTVCUWBCWGI-FVQHAEBGSA-N 0 3 374.408 0.927 20 30 FCEDHN N#Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4-c4nn[n-]n4)C[C@H]32)c[nH]1 ZINC001592688011 1285583348 /nfs/dbraw/zinc/58/33/48/1285583348.db2.gz 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C=CCC1(O)CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC001350388993 866582111 /nfs/dbraw/zinc/58/21/11/866582111.db2.gz UFHCGDHRVPOZGB-MRXNPFEDSA-N 0 3 355.504 0.470 20 30 FCEDHN COC(=O)[C@@]1(CN[C@@H](C)CC2(C#N)CCOCC2)C[C@@H]1S(C)(=O)=O ZINC001308924132 866723373 /nfs/dbraw/zinc/72/33/73/866723373.db2.gz SJYSRXOGLCOKRF-HEHGZKQESA-N 0 3 358.460 0.651 20 30 FCEDHN COc1cc(NC(=O)NCCN(C)CCOCCO)c(F)cc1C#N ZINC001311033729 867066273 /nfs/dbraw/zinc/06/62/73/867066273.db2.gz SNLFYHQRAYALEI-UHFFFAOYSA-N 0 3 354.382 0.768 20 30 FCEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCCNC(=O)C1)C(C)C ZINC001352422401 867132695 /nfs/dbraw/zinc/13/26/95/867132695.db2.gz KFILARUHYKONEK-HNNXBMFYSA-N 0 3 350.463 0.150 20 30 FCEDHN CN(C)CC#CCNC(=O)N1CCN(CCCOCC(F)(F)F)CC1 ZINC001313437462 867280936 /nfs/dbraw/zinc/28/09/36/867280936.db2.gz AXQRESQMHNYXTR-UHFFFAOYSA-N 0 3 364.412 0.848 20 30 FCEDHN C=CC[C@@H](CC)NC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC001322821228 868959076 /nfs/dbraw/zinc/95/90/76/868959076.db2.gz QQGMXFVMGICUDE-OAHLLOKOSA-N 0 3 352.479 0.470 20 30 FCEDHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CC[C@](F)(C#N)C2)CC1 ZINC001323277872 869131605 /nfs/dbraw/zinc/13/16/05/869131605.db2.gz QWWXKZGRGORJHD-KRWDZBQOSA-N 0 3 354.426 0.456 20 30 FCEDHN N#CCCC[C@H](N)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC001326040030 870149832 /nfs/dbraw/zinc/14/98/32/870149832.db2.gz YGTINUWXRWOODD-JTQLQIEISA-N 0 3 356.370 0.438 20 30 FCEDHN C[NH2+][C@H](C)CCNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001326833373 870520154 /nfs/dbraw/zinc/52/01/54/870520154.db2.gz WKFMLTDKSYYEDQ-NEPJUHHUSA-N 0 3 352.460 0.618 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC001328668296 871569813 /nfs/dbraw/zinc/56/98/13/871569813.db2.gz AIKCDCPOVFQGSX-QAPCUYQASA-N 0 3 351.447 0.207 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC001328668294 871570204 /nfs/dbraw/zinc/57/02/04/871570204.db2.gz AIKCDCPOVFQGSX-CRAIPNDOSA-N 0 3 351.447 0.207 20 30 FCEDHN C#C[C@H](CC)NS(=O)(=O)CCCS(=O)(=O)Nc1cc(C)nc(C)c1 ZINC001330021903 872425693 /nfs/dbraw/zinc/42/56/93/872425693.db2.gz BWYOCKPXGDEMPG-CQSZACIVSA-N 0 3 373.500 0.583 20 30 FCEDHN C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)C1 ZINC001573282700 946695623 /nfs/dbraw/zinc/69/56/23/946695623.db2.gz NFJUISAHCKZNQC-HNNXBMFYSA-N 0 3 368.445 0.050 20 30 FCEDHN C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)C1 ZINC001573282700 946695628 /nfs/dbraw/zinc/69/56/28/946695628.db2.gz NFJUISAHCKZNQC-HNNXBMFYSA-N 0 3 368.445 0.050 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573285007 946764707 /nfs/dbraw/zinc/76/47/07/946764707.db2.gz BRGMCSFFMWCKSW-KBPBESRZSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573285007 946764709 /nfs/dbraw/zinc/76/47/09/946764709.db2.gz BRGMCSFFMWCKSW-KBPBESRZSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573285007 946764718 /nfs/dbraw/zinc/76/47/18/946764718.db2.gz BRGMCSFFMWCKSW-KBPBESRZSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573285007 946764727 /nfs/dbraw/zinc/76/47/27/946764727.db2.gz BRGMCSFFMWCKSW-KBPBESRZSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CC[NH2+]C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C(F)(F)F ZINC001573285222 946771340 /nfs/dbraw/zinc/77/13/40/946771340.db2.gz FJMFJBGHEHHEFA-UWVGGRQHSA-N 0 3 367.335 0.668 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573285245 946774307 /nfs/dbraw/zinc/77/43/07/946774307.db2.gz FZORPTQJHUNIQT-GDBMZVCRSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573285245 946774314 /nfs/dbraw/zinc/77/43/14/946774314.db2.gz FZORPTQJHUNIQT-GDBMZVCRSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@H](C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573285755 946787425 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N#Cc1cc(N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc(N)c1[N+](=O)[O-] ZINC000367325235 216106418 /nfs/dbraw/zinc/10/64/18/216106418.db2.gz BHFVXPQBFBNOAV-HNNXBMFYSA-N 0 3 358.402 0.967 20 30 FCEDHN CC(C)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(C#N)o3)C2)CC1 ZINC000367757466 216158041 /nfs/dbraw/zinc/15/80/41/216158041.db2.gz UQGNOFVIADGZCR-CQSZACIVSA-N 0 3 352.460 0.940 20 30 FCEDHN COCCN(C)CCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000277070381 212325823 /nfs/dbraw/zinc/32/58/23/212325823.db2.gz BMCLQPGZRALZKR-KRWDZBQOSA-N 0 3 373.457 0.537 20 30 FCEDHN CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)c1cccnc1C#N ZINC000277121678 212331877 /nfs/dbraw/zinc/33/18/77/212331877.db2.gz ZEGWCWLREARDPS-OAHLLOKOSA-N 0 3 365.503 0.990 20 30 FCEDHN N#Cc1ccc(OC2CCC(NC(=O)C(=O)N[C@@H](CN)C3CC3)CC2)nc1 ZINC000419609042 246217136 /nfs/dbraw/zinc/21/71/36/246217136.db2.gz DIIVQMCENDAXHG-GPANFISMSA-N 0 3 371.441 0.613 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000419722632 246270684 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FCEDHN COc1ccc([C@@H]2CCNC[C@H]2NS(=O)(=O)N(C)CCC#N)cc1 ZINC000440856248 248219666 /nfs/dbraw/zinc/21/96/66/248219666.db2.gz PXUKZWXZFSGCHY-JKSUJKDBSA-N 0 3 352.460 0.821 20 30 FCEDHN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000452981280 249337903 /nfs/dbraw/zinc/33/79/03/249337903.db2.gz WSUSPMINVQWUJD-DUVNUKRYSA-N 0 3 362.455 0.388 20 30 FCEDHN CC1CCN(C[C@@H](O)CNC(=O)C(=O)Nc2cccc(CC#N)c2)CC1 ZINC000453670398 249353283 /nfs/dbraw/zinc/35/32/83/249353283.db2.gz JXCYVCTVDRJUAS-KRWDZBQOSA-N 0 3 358.442 0.900 20 30 FCEDHN N#Cc1ccc2c(c1)N(C(=O)C(=O)NC[C@@H]1CCCN1CCCO)CC2 ZINC000453811120 249371747 /nfs/dbraw/zinc/37/17/47/249371747.db2.gz ZMLQWABAQISADN-INIZCTEOSA-N 0 3 356.426 0.410 20 30 FCEDHN C[C@H](CNC(=O)C(=O)N1CCc2ccc(C#N)cc21)CN1CCN(C)CC1 ZINC000270263370 211177148 /nfs/dbraw/zinc/17/71/48/211177148.db2.gz ZMUTVUDJAVEOKG-OAHLLOKOSA-N 0 3 369.469 0.447 20 30 FCEDHN COC(=O)Cn1cc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)nn1 ZINC000471053840 250087769 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FCEDHN CN1CCN(CCCCNC(=O)C(=O)Nc2ccc(C#N)cc2F)CC1 ZINC000533226137 490198402 /nfs/dbraw/zinc/19/84/02/490198402.db2.gz OGHNUJZWZHKHDX-UHFFFAOYSA-N 0 3 361.421 0.780 20 30 FCEDHN N#Cc1ncn(CC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC000564626241 491317163 /nfs/dbraw/zinc/31/71/63/491317163.db2.gz DFHDRVQYKYZYRO-MRXNPFEDSA-N 0 3 354.414 0.557 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@]2(CO)CCOC2)cc1 ZINC000483572993 490331824 /nfs/dbraw/zinc/33/18/24/490331824.db2.gz HPWYGYNHLRPYTM-XHDPSFHLSA-N 0 3 353.400 0.645 20 30 FCEDHN CC(C)NS(=O)(=O)c1cccc(CNC[C@@H](O)CN(C)CCC#N)c1 ZINC000564845174 491330878 /nfs/dbraw/zinc/33/08/78/491330878.db2.gz RJYAZGLOWZKQLI-MRXNPFEDSA-N 0 3 368.503 0.669 20 30 FCEDHN C[C@H](CC#N)N(C)S(=O)(=O)Nc1ccc(OC[C@@H](O)CN(C)C)cc1 ZINC000510239632 490499996 /nfs/dbraw/zinc/49/99/96/490499996.db2.gz JPLRSVWSJAWJMJ-HIFRSBDPSA-N 0 3 370.475 0.879 20 30 FCEDHN CC(C#N)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000510383643 490512134 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CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cc(F)cc(C#N)c2)CC1 ZINC000602019222 491956981 /nfs/dbraw/zinc/95/69/81/491956981.db2.gz IYUJNXYQWBWVEB-ZDUSSCGKSA-N 0 3 361.421 0.778 20 30 FCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@H]3CCN(C(C)C)C3)CC2)o1 ZINC000562727735 491184493 /nfs/dbraw/zinc/18/44/93/491184493.db2.gz JFUKZHPKSMQOIJ-INIZCTEOSA-N 0 3 374.489 0.918 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC([C@@H](C)NC(C)=O)CC2)CC1 ZINC000557731242 491394252 /nfs/dbraw/zinc/39/42/52/491394252.db2.gz LYMPHDXBQUYHOQ-CQSZACIVSA-N 0 3 364.490 0.516 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCO[C@]3(CCO[C@@H]3C)C2)CC1 ZINC000557732308 491394269 /nfs/dbraw/zinc/39/42/69/491394269.db2.gz ZGXLYCRFEYFQGF-RDTXWAMCSA-N 0 3 351.447 0.159 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)CC1 ZINC000557730534 491394310 /nfs/dbraw/zinc/39/43/10/491394310.db2.gz BEJACVIWXALJHL-HNNXBMFYSA-N 0 3 366.506 0.057 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(CC)[C@@H](C)CS(C)(=O)=O)CC1 ZINC000557756542 491396577 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Cc1csc(C(C#N)C(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)n1 ZINC000567330576 491499665 /nfs/dbraw/zinc/49/96/65/491499665.db2.gz QWUVSXAIGJJDIE-SNVBAGLBSA-N 0 3 357.395 0.831 20 30 FCEDHN CCNS(=O)(=O)c1ccc(CNC[C@H](O)CN(C)CCC#N)cc1 ZINC000567605124 491517112 /nfs/dbraw/zinc/51/71/12/491517112.db2.gz DLPZQEINRHDZRQ-HNNXBMFYSA-N 0 3 354.476 0.281 20 30 FCEDHN Cc1cc(S(=O)(=O)NCCNC[C@@H](O)CN(C)CCC#N)c(C)s1 ZINC000567687499 491523277 /nfs/dbraw/zinc/52/32/77/491523277.db2.gz MUXLBSVBXIEEJN-CQSZACIVSA-N 0 3 374.532 0.439 20 30 FCEDHN CN1CCC(n2ccc(NC(=O)C(=O)N3CCC(CC#N)CC3)n2)CC1 ZINC000574862678 491524754 /nfs/dbraw/zinc/52/47/54/491524754.db2.gz YADUFRPKWUHIJB-UHFFFAOYSA-N 0 3 358.446 1.241 20 30 FCEDHN CN(CCC#N)C[C@@H](O)CNCCN(C)S(=O)(=O)c1cccs1 ZINC000568254706 491562822 /nfs/dbraw/zinc/56/28/22/491562822.db2.gz JMELGGRIDPJWML-ZDUSSCGKSA-N 0 3 360.505 0.165 20 30 FCEDHN N#CCNC(=O)CNC[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000584525607 491600895 /nfs/dbraw/zinc/60/08/95/491600895.db2.gz 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DSIMKCNGLDJXQH-CQSZACIVSA-N 0 3 352.412 0.845 20 30 FCEDHN CCc1ccc(OCC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 ZINC000732909622 666910728 /nfs/dbraw/zinc/91/07/28/666910728.db2.gz DWDZDVKNWJNGET-OAHLLOKOSA-N 0 3 364.423 0.594 20 30 FCEDHN N#CC(C(=O)COc1cccc(Cl)c1)C(=O)N1CCS(=O)(=O)CC1 ZINC000732909872 666911267 /nfs/dbraw/zinc/91/12/67/666911267.db2.gz HMWVXAMKTHREIM-CYBMUJFWSA-N 0 3 370.814 0.685 20 30 FCEDHN COc1ccc(NC(=O)C(C#N)C(=O)CN(C)S(C)(=O)=O)cc1OC ZINC000916935823 667038157 /nfs/dbraw/zinc/03/81/57/667038157.db2.gz VGLMDLHHCHHZOM-NSHDSACASA-N 0 3 369.399 0.243 20 30 FCEDHN C#CCN1CCC(C(=O)NCCS(=O)(=O)NCc2ccccc2)CC1 ZINC000919967016 667209700 /nfs/dbraw/zinc/20/97/00/667209700.db2.gz JEBRQHFRLRUXHY-UHFFFAOYSA-N 0 3 363.483 0.567 20 30 FCEDHN COCCNC(=O)C(C#N)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000921132319 667269141 /nfs/dbraw/zinc/26/91/41/667269141.db2.gz PQACIAAFXMKJFN-NSHDSACASA-N 0 3 351.315 0.454 20 30 FCEDHN C#CCN(C)CCCNC(=O)NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000838323841 667930715 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C#CCN(C)CCCNC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 ZINC000818599378 668919156 /nfs/dbraw/zinc/91/91/56/668919156.db2.gz NEHWKYXCQXBOEF-UHFFFAOYSA-N 0 3 371.434 0.096 20 30 FCEDHN N#Cc1ccc([C@H](O)CNCCS(=O)(=O)NC[C@@H]2CCCCO2)cc1 ZINC000819052524 668974170 /nfs/dbraw/zinc/97/41/70/668974170.db2.gz FTRIGMXNKQFZNI-DLBZAZTESA-N 0 3 367.471 0.670 20 30 FCEDHN CCN(CC)CC(=O)N1CCN(Cn2nc(CC#N)n(C)c2=S)CC1 ZINC000794626233 668986686 /nfs/dbraw/zinc/98/66/86/668986686.db2.gz OYJDVBPEMPOEQL-UHFFFAOYSA-N 0 3 365.507 0.461 20 30 FCEDHN C#CCNC(=O)CCNCc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000819191095 668987293 /nfs/dbraw/zinc/98/72/93/668987293.db2.gz NJBINXKCOGPCGW-UHFFFAOYSA-N 0 3 363.483 0.841 20 30 FCEDHN Cc1nn(C)c(N2CCOCC2)c1C=NNCCCN1CCOCC1 ZINC000799489522 669301938 /nfs/dbraw/zinc/30/19/38/669301938.db2.gz WJNGVAUQRDMWOZ-UHFFFAOYSA-N 0 3 350.467 0.211 20 30 FCEDHN C#CCN(C)CCCNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C ZINC000823187835 669325654 /nfs/dbraw/zinc/32/56/54/669325654.db2.gz KDSQROWPHWHBHY-OAHLLOKOSA-N 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C[C@H](CNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)C[NH+](C)C ZINC000816830994 669981592 /nfs/dbraw/zinc/98/15/92/669981592.db2.gz BCYCXRGVSLVHSS-CHWSQXEVSA-N 0 3 366.487 0.818 20 30 FCEDHN C#CCN(C)CCCNC(=O)N1CCN(CC(=O)N[C@H](C)CC)CC1 ZINC000836487698 670051405 /nfs/dbraw/zinc/05/14/05/670051405.db2.gz IZCYNIOSZQWQEY-MRXNPFEDSA-N 0 3 351.495 0.183 20 30 FCEDHN C#CCN(C)CCCNC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000836488858 670051570 /nfs/dbraw/zinc/05/15/70/670051570.db2.gz POFCVJZJMAUKKN-UHFFFAOYSA-N 0 3 356.492 0.197 20 30 FCEDHN N#CCCC[C@H](N)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000818116606 670067569 /nfs/dbraw/zinc/06/75/69/670067569.db2.gz MVFJTZQDXWHCHO-NSHDSACASA-N 0 3 370.397 0.685 20 30 FCEDHN C#CCN(C)CCCNC(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000818589378 670115892 /nfs/dbraw/zinc/11/58/92/670115892.db2.gz ZYHHLPJGGZFOAB-UHFFFAOYSA-N 0 3 351.472 0.551 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H](F)C(C)C)C[C@@H]2O)CC1 ZINC000966006802 675121245 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C#CC[C@@H](CCOC)NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000859023339 671789606 /nfs/dbraw/zinc/78/96/06/671789606.db2.gz XITNVUULEBWXHR-INIZCTEOSA-N 0 3 350.463 0.364 20 30 FCEDHN C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877397067 673012495 /nfs/dbraw/zinc/01/24/95/673012495.db2.gz CTIYDNKNCQOUDG-YLVFBTJISA-N 0 3 362.455 0.514 20 30 FCEDHN Cc1nsc(N2C[C@@H](NC(=O)[C@@H]3CCCN3C(C)C)[C@@H](O)C2)c1C#N ZINC001044191647 675621086 /nfs/dbraw/zinc/62/10/86/675621086.db2.gz MUCIECMDQHNGMC-ILXRZTDVSA-N 0 3 363.487 0.862 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]cnc3C)[C@@H]2C)CC1 ZINC000988506727 1192237998 /nfs/dbraw/zinc/23/79/98/1192237998.db2.gz NVPUABAVWPLHJE-WBVHZDCISA-N 0 3 371.485 0.711 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)C[C@@H]3CCOC3)[C@@H]2C)CC1 ZINC000988506021 1192238528 /nfs/dbraw/zinc/23/85/28/1192238528.db2.gz IIVRIIUCEQFFNQ-RYRKJORJSA-N 0 3 361.486 0.864 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)Cn3nccc3C)[C@@H]2C)CC1 ZINC000988507399 1192238737 /nfs/dbraw/zinc/23/87/37/1192238737.db2.gz SNQSFKWGXPCYOM-AEFFLSMTSA-N 0 3 371.485 0.642 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3cnc[nH]3)[C@@H]2C)CC1 ZINC000988507518 1192238911 /nfs/dbraw/zinc/23/89/11/1192238911.db2.gz VGNQWVGUTLZKAT-PBHICJAKSA-N 0 3 357.458 0.403 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)c3cnccn3)[C@@H]2C)CC1 ZINC000988507382 1192239987 /nfs/dbraw/zinc/23/99/87/1192239987.db2.gz DNEPAVWGTKTGRG-ZBFHGGJFSA-N 0 3 355.442 0.541 20 30 FCEDHN C=C[C@@H](C(=O)N1C[C@@H](NC(=O)Cc2nc[nH]c2C)[C@@H](O)C1)c1ccccc1 ZINC000969418377 1167942589 /nfs/dbraw/zinc/94/25/89/1167942589.db2.gz HZVAOIJMLUAORB-NXHRZFHOSA-N 0 3 368.437 0.918 20 30 FCEDHN C[C@@H]1CN(C(=O)c2ccnc3[n-]cnc32)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104246780 1168466268 /nfs/dbraw/zinc/46/62/68/1168466268.db2.gz FWKZBUUXDBDCSX-CHWSQXEVSA-N 0 3 369.429 0.285 20 30 FCEDHN C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCN3CCC)C[C@@H]2O)c1 ZINC000970408719 1168844679 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N#Cc1cccc(CN2C[C@@H](NC(=O)c3[nH]nc4c3CCC4)[C@@H](O)C2)c1 ZINC001083597485 1195625806 /nfs/dbraw/zinc/62/58/06/1195625806.db2.gz YBHSVQSYGDBPOW-SJORKVTESA-N 0 3 351.410 0.745 20 30 FCEDHN Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)nn1CCC#N ZINC000594325379 1196710804 /nfs/dbraw/zinc/71/08/04/1196710804.db2.gz DRCFCMQLJQTIPG-HUUCEWRRSA-N 0 3 358.446 1.177 20 30 FCEDHN COC(=O)c1ccc(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c(C#N)n1 ZINC000594566064 1196728366 /nfs/dbraw/zinc/72/83/66/1196728366.db2.gz ABHZJHKKOLQSPW-MRXNPFEDSA-N 0 3 357.414 0.658 20 30 FCEDHN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NCCNCC(=O)NCC#N)c1 ZINC001127189776 1196805815 /nfs/dbraw/zinc/80/58/15/1196805815.db2.gz OMUKOHMJZZFDHS-DZGCQCFKSA-N 0 3 360.414 0.153 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(Cc3nnnn3C3CC3)[C@@H]2C)CC1 ZINC001089059825 1196879606 /nfs/dbraw/zinc/87/96/06/1196879606.db2.gz DFFYARWYEBWHNT-PBHICJAKSA-N 0 3 371.489 0.432 20 30 FCEDHN CCN(CC)CC(=O)N1C[C@@H](Nc2ccc(C#N)cn2)[C@@H](n2ccnn2)C1 ZINC001089089685 1196894415 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358.490 0.677 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2NCc2nnn(C)n2)CC1 ZINC001085432854 1197899563 /nfs/dbraw/zinc/89/95/63/1197899563.db2.gz SYPLOXAVOMKMIR-HZPDHXFCSA-N 0 3 359.478 0.072 20 30 FCEDHN C#CCN1CCN(C(=O)CN[C@H](C)c2ccc(OCC(=O)OC)cc2)CC1 ZINC000767875043 1200031974 /nfs/dbraw/zinc/03/19/74/1200031974.db2.gz IRVOHROTTLBGGB-MRXNPFEDSA-N 0 3 373.453 0.666 20 30 FCEDHN C=CCN1CC[C@@H](N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2nc[nH]n2)C3)C1=O ZINC001109137599 1200063605 /nfs/dbraw/zinc/06/36/05/1200063605.db2.gz OVKUOLUDXLZKRF-CBBWQLFWSA-N 0 3 358.446 0.246 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)C2(C(=O)N(C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129385465 1200100002 /nfs/dbraw/zinc/10/00/02/1200100002.db2.gz NUZZEQWFKLYJQI-CABCVRRESA-N 0 3 360.462 0.454 20 30 FCEDHN CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)C(C#N)C(=O)NC1CC1)C2=O ZINC000768764312 1200216076 /nfs/dbraw/zinc/21/60/76/1200216076.db2.gz BYRMJOUYGBQVKS-KZULUSFZSA-N 0 3 360.414 0.865 20 30 FCEDHN CCN(CCO)CCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000769518536 1200321004 /nfs/dbraw/zinc/32/10/04/1200321004.db2.gz ANLOBZLIOGOPCJ-KBPBESRZSA-N 0 3 369.466 0.359 20 30 FCEDHN CCOC(=O)CON=C(C(=O)N[C@@H](C)CN1CCCCC1)c1cc[nH]n1 ZINC000770836635 1200502354 /nfs/dbraw/zinc/50/23/54/1200502354.db2.gz ZBGQLNXBAOIOKX-ZDUSSCGKSA-N 0 3 365.434 0.684 20 30 FCEDHN CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N ZINC001109798710 1200524029 /nfs/dbraw/zinc/52/40/29/1200524029.db2.gz OPIIYTBDDNHYPK-LTIDMASMSA-N 0 3 361.490 0.611 20 30 FCEDHN N#Cc1cccnc1NCCNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000787756473 1200903358 /nfs/dbraw/zinc/90/33/58/1200903358.db2.gz ZKKNVSUITQKRSL-OAHLLOKOSA-N 0 3 356.430 0.178 20 30 FCEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC(=O)N(C)C[C@H]1C)C(C)C ZINC000788442029 1200958747 /nfs/dbraw/zinc/95/87/47/1200958747.db2.gz BZPCELIPDSWAAK-HZPDHXFCSA-N 0 3 364.490 0.490 20 30 FCEDHN COCCN(C)c1ccc(CNCCNC(=O)C2N=CC=CC2=O)cn1 ZINC000790965617 1201119430 /nfs/dbraw/zinc/11/94/30/1201119430.db2.gz UGUVXGSQLSDLRL-ZCXUNETKSA-N 0 3 359.430 0.780 20 30 FCEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001086603052 1201163570 /nfs/dbraw/zinc/16/35/70/1201163570.db2.gz GLRQRVZIVHTKEV-ZWKOTPCHSA-N 0 3 356.470 0.579 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)[C@H](NC(C)=O)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129397632 1201296444 /nfs/dbraw/zinc/29/64/44/1201296444.db2.gz WQHXNMWHEIFWSM-IXDOHACOSA-N 0 3 362.478 0.747 20 30 FCEDHN C#CCNC(=O)C1CCN(c2nc(NCCO)nc(NC(C)C)n2)CC1 ZINC000804397344 1201304355 /nfs/dbraw/zinc/30/43/55/1201304355.db2.gz RLZSIWODGJQQDJ-UHFFFAOYSA-N 0 3 361.450 0.062 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](n2ccnn2)C1 ZINC001129496315 1201334116 /nfs/dbraw/zinc/33/41/16/1201334116.db2.gz KZNPGSGQLDCPRY-CVEARBPZSA-N 0 3 358.450 0.347 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H](CC(C)C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129496294 1201334728 /nfs/dbraw/zinc/33/47/28/1201334728.db2.gz JUULWCNWMRKVQZ-XHSDSOJGSA-N 0 3 362.478 0.733 20 30 FCEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001086622974 1201336879 /nfs/dbraw/zinc/33/68/79/1201336879.db2.gz CZXVIIQLQXTXLW-DLBZAZTESA-N 0 3 353.422 0.743 20 30 FCEDHN C=CCCC(=O)N1C[C@@H](NCCOC[C@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001129671699 1201365419 /nfs/dbraw/zinc/36/54/19/1201365419.db2.gz WYCAGTRZSWKXDG-ZACQAIPSSA-N 0 3 363.462 0.781 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2cnn(CC)c2)C[C@@H]1n1ccnn1 ZINC001129699077 1201372966 /nfs/dbraw/zinc/37/29/66/1201372966.db2.gz GMEHCHFDJWDFHH-CVEARBPZSA-N 0 3 359.434 0.352 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)CC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001129708613 1201382904 /nfs/dbraw/zinc/38/29/04/1201382904.db2.gz RQNDCPFAPALFIV-SJORKVTESA-N 0 3 363.462 0.639 20 30 FCEDHN CC(C)COCCN[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1n1ccnn1 ZINC001129778280 1201395458 /nfs/dbraw/zinc/39/54/58/1201395458.db2.gz RJJMXLROAINNQJ-SJORKVTESA-N 0 3 371.445 0.806 20 30 FCEDHN Cc1cc(C)n(CCN[C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2n2ccnn2)n1 ZINC001129822295 1201401291 /nfs/dbraw/zinc/40/12/91/1201401291.db2.gz OSDFHYFQVYUIFN-MSOLQXFVSA-N 0 3 369.473 0.793 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2ccc(C)nn2)C[C@@H]1n1ccnn1 ZINC001129822336 1201401613 /nfs/dbraw/zinc/40/16/13/1201401613.db2.gz QQGOEVOLYDSPER-CVEARBPZSA-N 0 3 357.418 0.234 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1C[C@@H](NCCOCC(C)C)[C@@H](n2ccnn2)C1 ZINC001129829729 1201402721 /nfs/dbraw/zinc/40/27/21/1201402721.db2.gz NMAKPHWUAYFETA-ZACQAIPSSA-N 0 3 363.462 0.331 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@@H]1n1ccnn1 ZINC001129856113 1201405643 /nfs/dbraw/zinc/40/56/43/1201405643.db2.gz XNNWLTHGVMBYAY-ZBFHGGJFSA-N 0 3 371.445 0.279 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2cc3n(n2)CCC3)C[C@@H]1n1ccnn1 ZINC001129881842 1201412070 /nfs/dbraw/zinc/41/20/70/1201412070.db2.gz VLOQUIHDRCBECT-SJORKVTESA-N 0 3 371.445 0.279 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H](NC(C)=O)C2CCCC2)C[C@@H]1n1ccnn1 ZINC001129927193 1201444701 /nfs/dbraw/zinc/44/47/01/1201444701.db2.gz PRMIYFLAOMUXMR-IXDOHACOSA-N 0 3 360.462 0.501 20 30 FCEDHN C=C(C)C[C@H](C)C(=O)N1C[C@@H](NCCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001129976260 1201463707 /nfs/dbraw/zinc/46/37/07/1201463707.db2.gz KFDUDWIEIBYURN-XHSDSOJGSA-N 0 3 358.450 0.514 20 30 FCEDHN C=C(C)C[C@@H](C)C(=O)N1C[C@@H](NCCOCCOC)[C@@H](n2ccnn2)C1 ZINC001129976212 1201463827 /nfs/dbraw/zinc/46/38/27/1201463827.db2.gz IHSWMRHFHGMZRE-ZACQAIPSSA-N 0 3 365.478 0.885 20 30 FCEDHN C#Cc1cncc(C(=O)N2C[C@@H](NCCOC(C)C)[C@@H](n3ccnn3)C2)c1 ZINC001129997680 1201465968 /nfs/dbraw/zinc/46/59/68/1201465968.db2.gz WYQMLVCAKJGOJK-MSOLQXFVSA-N 0 3 368.441 0.735 20 30 FCEDHN C=C[C@](C)(CC)C(=O)N1C[C@@H](NCCOCCOC)[C@@H](n2ccnn2)C1 ZINC001129996023 1201466003 /nfs/dbraw/zinc/46/60/03/1201466003.db2.gz XFNBNPOFPZGAIA-SOLBZPMBSA-N 0 3 365.478 0.885 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC[C@@H](c3nccn3C)C2)CC1 ZINC000804890915 1201469020 /nfs/dbraw/zinc/46/90/20/1201469020.db2.gz BLAZNRXGNVGHDO-OAHLLOKOSA-N 0 3 359.474 0.893 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@@H](NCCOC(C)C)[C@@H](n3ccnn3)C2)cn1 ZINC001130091126 1201497509 /nfs/dbraw/zinc/49/75/09/1201497509.db2.gz BNMKSNMSQCUTTO-MSOLQXFVSA-N 0 3 368.441 0.735 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2cnn3cc[nH]c23)C[C@@H]1n1ccnn1 ZINC001130102079 1201500912 /nfs/dbraw/zinc/50/09/12/1201500912.db2.gz GFVWFQMHLFGSLJ-CABCVRRESA-N 0 3 370.417 0.112 20 30 FCEDHN C#Cc1ccccc1CC(=O)N1C[C@@H](NCCOC)[C@@H](n2ccnn2)C1 ZINC001130109957 1201503689 /nfs/dbraw/zinc/50/36/89/1201503689.db2.gz MWEBOYIPZKMWRW-MSOLQXFVSA-N 0 3 353.426 0.490 20 30 FCEDHN C=CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@@H](CC)C(N)=O)[n-]1 ZINC001130193388 1201531744 /nfs/dbraw/zinc/53/17/44/1201531744.db2.gz VGZJMRIQEXJWIP-AVGNSLFASA-N 0 3 364.450 0.113 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnccc2C)[n-]1 ZINC001130195877 1201532852 /nfs/dbraw/zinc/53/28/52/1201532852.db2.gz GZFKJDLYDPJBPT-HOCLYGCPSA-N 0 3 368.441 0.924 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(=O)C(C)(C)C)[n-]1 ZINC001130198663 1201534720 /nfs/dbraw/zinc/53/47/20/1201534720.db2.gz UCMVMBGRGUXZJZ-STQMWFEESA-N 0 3 361.446 0.522 20 30 FCEDHN CCCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#CCOC)[n-]1 ZINC001130185075 1201538007 /nfs/dbraw/zinc/53/80/07/1201538007.db2.gz VWWCMGVNXLNQHT-GJZGRUSLSA-N 0 3 363.462 0.723 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC2(COC)CC2)[n-]1 ZINC001130207622 1201541877 /nfs/dbraw/zinc/54/18/77/1201541877.db2.gz JISMHJWHOZZHBO-KBPBESRZSA-N 0 3 361.446 0.333 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCOCC2CC2)[n-]1 ZINC001130207562 1201542361 /nfs/dbraw/zinc/54/23/61/1201542361.db2.gz GMHCFUVRVIHCRC-GJZGRUSLSA-N 0 3 361.446 0.333 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCCOCC2)[n-]1 ZINC001130207608 1201542219 /nfs/dbraw/zinc/54/22/19/1201542219.db2.gz IWWCFIUPLROYOX-KKUMJFAQSA-N 0 3 361.446 0.333 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(CC)o2)[n-]1 ZINC001130220525 1201544450 /nfs/dbraw/zinc/54/44/50/1201544450.db2.gz BKPGWJBQSLKDNF-ZFWWWQNUSA-N 0 3 357.414 0.985 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)n2cccc2)[n-]1 ZINC001130200798 1201548689 /nfs/dbraw/zinc/54/86/89/1201548689.db2.gz WZCQIDRQVCLFEZ-JYJNAYRXSA-N 0 3 370.457 0.969 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2ccccc2)[n-]1 ZINC001130220698 1201550464 /nfs/dbraw/zinc/55/04/64/1201550464.db2.gz JIZBUFVQRJHRRJ-HOTGVXAUSA-N 0 3 353.426 0.759 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccncc2CC)[n-]1 ZINC001130222943 1201552635 /nfs/dbraw/zinc/55/26/35/1201552635.db2.gz JFWYPIFYNHIHQK-HOTGVXAUSA-N 0 3 368.441 0.787 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c[nH]nc2C)[n-]1 ZINC001130225096 1201553750 /nfs/dbraw/zinc/55/37/50/1201553750.db2.gz SBUJWKUFRNOOGT-JSGCOSHPSA-N 0 3 357.418 0.252 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccnc2C)[n-]1 ZINC001130232229 1201557445 /nfs/dbraw/zinc/55/74/45/1201557445.db2.gz DODFYBYTJKXKIS-GJZGRUSLSA-N 0 3 354.414 0.533 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccn(CC)n2)[n-]1 ZINC001130242061 1201561997 /nfs/dbraw/zinc/56/19/97/1201561997.db2.gz CLZFYQHUXQKQCT-ZFWWWQNUSA-N 0 3 371.445 0.437 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)Cc2ccco2)[n-]1 ZINC001130242294 1201562433 /nfs/dbraw/zinc/56/24/33/1201562433.db2.gz QAVITZLTBDCHFL-BPUTZDHNSA-N 0 3 371.441 0.988 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccnn2)[n-]1 ZINC001130242237 1201563107 /nfs/dbraw/zinc/56/31/07/1201563107.db2.gz NLIQMNJWTRWPLQ-JSGCOSHPSA-N 0 3 355.402 0.010 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccnc(C)c2)[n-]1 ZINC001130244252 1201563588 /nfs/dbraw/zinc/56/35/88/1201563588.db2.gz FRCXHFZEYQFWLI-HOTGVXAUSA-N 0 3 368.441 0.924 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H](C)n2cccn2)[n-]1 ZINC001130247075 1201567582 /nfs/dbraw/zinc/56/75/82/1201567582.db2.gz SXWIHKCZNSXNLR-ILXRZTDVSA-N 0 3 371.445 0.364 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCn2cccc2)[n-]1 ZINC001130251321 1201570005 /nfs/dbraw/zinc/57/00/05/1201570005.db2.gz NIIVNMLOEZPLSS-HOTGVXAUSA-N 0 3 370.457 0.798 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)[n-]1 ZINC001130253763 1201571128 /nfs/dbraw/zinc/57/11/28/1201571128.db2.gz OLNPSKMFIWZYII-SOBDKHKFSA-N 0 3 369.469 0.808 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC(=O)NCC)CC1 ZINC001130285949 1201577068 /nfs/dbraw/zinc/57/70/68/1201577068.db2.gz QMYDWQKHOCJJCE-BEFAXECRSA-N 0 3 362.474 0.011 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COCCCOC)CC1 ZINC001130307508 1201582547 /nfs/dbraw/zinc/58/25/47/1201582547.db2.gz SFDXVOLAVAJYST-APWZRJJASA-N 0 3 367.490 0.701 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCCC(N)=O)CC1 ZINC001130310409 1201582980 /nfs/dbraw/zinc/58/29/80/1201582980.db2.gz GKQUCOKGMSZBEF-BEFAXECRSA-N 0 3 362.474 0.141 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCOCCOC)CC1 ZINC001130312790 1201583074 /nfs/dbraw/zinc/58/30/74/1201583074.db2.gz CVXQCQQVUNYQRA-APWZRJJASA-N 0 3 367.490 0.701 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCc2cccnc2)C1 ZINC001130592813 1202726781 /nfs/dbraw/zinc/72/67/81/1202726781.db2.gz FWNMZQZMOGKFEI-HHXXYDBFSA-N 0 3 367.453 0.938 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cccnc3)n[n-]2)O1 ZINC001130774746 1202782954 /nfs/dbraw/zinc/78/29/54/1202782954.db2.gz BGBTUCKRAAJLLM-LSDHHAIUSA-N 0 3 354.414 0.502 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@H]3CCCO3)n[n-]2)O1 ZINC001130765395 1202784642 /nfs/dbraw/zinc/78/46/42/1202784642.db2.gz QFUBKCCEMSERGH-QLFBSQMISA-N 0 3 361.446 0.823 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)C[C@H]3CCCO3)n2)O1 ZINC001130765395 1202784644 /nfs/dbraw/zinc/78/46/44/1202784644.db2.gz QFUBKCCEMSERGH-QLFBSQMISA-N 0 3 361.446 0.823 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[C@@H]3CCOC3)n[n-]2)O1 ZINC001130772211 1202787247 /nfs/dbraw/zinc/78/72/47/1202787247.db2.gz DFCAENFXFIXTQL-QLFBSQMISA-N 0 3 361.446 0.681 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)CC[C@@H]3CCOC3)n2)O1 ZINC001130772211 1202787248 /nfs/dbraw/zinc/78/72/48/1202787248.db2.gz DFCAENFXFIXTQL-QLFBSQMISA-N 0 3 361.446 0.681 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3coc(CC)n3)n[n-]2)O1 ZINC001130777167 1202791163 /nfs/dbraw/zinc/79/11/63/1202791163.db2.gz UTYVHNSIJYLOOV-WCQYABFASA-N 0 3 358.402 0.728 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3coc(CC)n3)n2)O1 ZINC001130777167 1202791165 /nfs/dbraw/zinc/79/11/65/1202791165.db2.gz UTYVHNSIJYLOOV-WCQYABFASA-N 0 3 358.402 0.728 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCc3ccccn3)n[n-]2)O1 ZINC001130794019 1202795207 /nfs/dbraw/zinc/79/52/07/1202795207.db2.gz IEJGCRLXEHFPNZ-JKSUJKDBSA-N 0 3 368.441 0.892 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)CCc3ccccn3)n2)O1 ZINC001130794019 1202795209 /nfs/dbraw/zinc/79/52/09/1202795209.db2.gz IEJGCRLXEHFPNZ-JKSUJKDBSA-N 0 3 368.441 0.892 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3onc(C)c3C)n[n-]2)O1 ZINC001130790285 1202798971 /nfs/dbraw/zinc/79/89/71/1202798971.db2.gz QXSYPAYAEISBSK-QWHCGFSZSA-N 0 3 358.402 0.782 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3onc(C)c3C)n2)O1 ZINC001130790285 1202798972 /nfs/dbraw/zinc/79/89/72/1202798972.db2.gz QXSYPAYAEISBSK-QWHCGFSZSA-N 0 3 358.402 0.782 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@]34CCC[C@H]3OCC4)n[n-]2)O1 ZINC001130792582 1202800087 /nfs/dbraw/zinc/80/00/87/1202800087.db2.gz LFGIBFSPEZTMEC-HRLGVUPISA-N 0 3 373.457 0.823 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@]34CCC[C@H]3OCC4)n2)O1 ZINC001130792582 1202800088 /nfs/dbraw/zinc/80/00/88/1202800088.db2.gz LFGIBFSPEZTMEC-HRLGVUPISA-N 0 3 373.457 0.823 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CCO[C@H]3C3CC3)n[n-]2)O1 ZINC001130792381 1202800202 /nfs/dbraw/zinc/80/02/02/1202800202.db2.gz AVZRJQUQZGUREA-HWMZRRJGSA-N 0 3 373.457 0.679 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@@H]3CCO[C@H]3C3CC3)n2)O1 ZINC001130792381 1202800203 /nfs/dbraw/zinc/80/02/03/1202800203.db2.gz AVZRJQUQZGUREA-HWMZRRJGSA-N 0 3 373.457 0.679 20 30 FCEDHN COCC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCCF)n[n-]2)O1 ZINC001130799745 1202803270 /nfs/dbraw/zinc/80/32/70/1202803270.db2.gz WCORMHPHEHFIFJ-UONOGXRCSA-N 0 3 367.425 0.630 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccn(C)c3C)n[n-]2)O1 ZINC001130802487 1202803741 /nfs/dbraw/zinc/80/37/41/1202803741.db2.gz WEUCQPZXSWJVIJ-DZGCQCFKSA-N 0 3 356.430 0.825 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3ccn(C)c3C)n2)O1 ZINC001130802487 1202803744 /nfs/dbraw/zinc/80/37/44/1202803744.db2.gz WEUCQPZXSWJVIJ-DZGCQCFKSA-N 0 3 356.430 0.825 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cccnn3)n[n-]2)O1 ZINC001130811708 1202804584 /nfs/dbraw/zinc/80/45/84/1202804584.db2.gz FRPWXTWMFPYHQT-GXTWGEPZSA-N 0 3 355.402 0.358 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cccnn3)n2)O1 ZINC001130811708 1202804588 /nfs/dbraw/zinc/80/45/88/1202804588.db2.gz FRPWXTWMFPYHQT-GXTWGEPZSA-N 0 3 355.402 0.358 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCc3ncccn3)n[n-]2)O1 ZINC001130811818 1202805160 /nfs/dbraw/zinc/80/51/60/1202805160.db2.gz LPXHGFCSNSFCBG-UONOGXRCSA-N 0 3 369.429 0.287 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)CCc3ncccn3)n2)O1 ZINC001130811818 1202805161 /nfs/dbraw/zinc/80/51/61/1202805161.db2.gz LPXHGFCSNSFCBG-UONOGXRCSA-N 0 3 369.429 0.287 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C(C)(C)CCOC)n[n-]2)O1 ZINC001130816107 1202806846 /nfs/dbraw/zinc/80/68/46/1202806846.db2.gz LDZPFVMRMBZLLC-UONOGXRCSA-N 0 3 363.462 0.927 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)C(C)(C)CCOC)n2)O1 ZINC001130816107 1202806850 /nfs/dbraw/zinc/80/68/50/1202806850.db2.gz LDZPFVMRMBZLLC-UONOGXRCSA-N 0 3 363.462 0.927 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3c[nH]nc3C3CC3)n[n-]2)O1 ZINC001130816346 1202807047 /nfs/dbraw/zinc/80/70/47/1202807047.db2.gz RXVZOWXVUNSTQK-GXTWGEPZSA-N 0 3 369.429 0.778 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccn(C)n3)n[n-]2)O1 ZINC001130817723 1202808472 /nfs/dbraw/zinc/80/84/72/1202808472.db2.gz WYERSCGIJZJESK-GXTWGEPZSA-N 0 3 357.418 0.301 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3ccn(C)n3)n2)O1 ZINC001130817723 1202808473 /nfs/dbraw/zinc/80/84/73/1202808473.db2.gz WYERSCGIJZJESK-GXTWGEPZSA-N 0 3 357.418 0.301 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccnc(C)n3)n[n-]2)O1 ZINC001130820089 1202809107 /nfs/dbraw/zinc/80/91/07/1202809107.db2.gz NLXXQXGBUAANMX-GXTWGEPZSA-N 0 3 355.402 0.276 20 30 FCEDHN 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ZINC001058170018 1216639414 /nfs/dbraw/zinc/63/94/14/1216639414.db2.gz UKJLDTVSDWXIRU-ULQDDVLXSA-N 0 3 369.506 0.635 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)C[C@@H](NC(=O)CN(CC)CC)CO2 ZINC001068878206 1216763657 /nfs/dbraw/zinc/76/36/57/1216763657.db2.gz DJEILSSPXWQEJR-OAGGEKHMSA-N 0 3 365.474 0.405 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)C[C@H]2CCN(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001069953447 1216864353 /nfs/dbraw/zinc/86/43/53/1216864353.db2.gz FUDCIVJRNNVDIS-OAGGEKHMSA-N 0 3 360.462 0.454 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)[C@@H]2CCn3cncc3C2)[C@@H](n2ccnn2)C1 ZINC001069962145 1216868805 /nfs/dbraw/zinc/86/88/05/1216868805.db2.gz HICBQHZOZTWTAY-OIISXLGYSA-N 0 3 355.446 0.655 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccc(=O)n(C)c2)[C@@H](n2ccnn2)C1 ZINC001069967227 1216873727 /nfs/dbraw/zinc/87/37/27/1216873727.db2.gz UHGMGGJMMIVIKR-CVEARBPZSA-N 0 3 356.430 0.598 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)c2ccc3n[nH]c(=O)n3c2)[C@@H](n2ccnn2)C1 ZINC001070051943 1216929506 /nfs/dbraw/zinc/92/95/06/1216929506.db2.gz ZCIHIQKJAOIPRJ-KGLIPLIRSA-N 0 3 368.401 0.258 20 30 FCEDHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ncc(C#N)cc2F)C[C@H]1O ZINC001041403150 1217314367 /nfs/dbraw/zinc/31/43/67/1217314367.db2.gz HQCYFMMQPYPTMD-OWCLPIDISA-N 0 3 361.421 0.632 20 30 FCEDHN C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001042680670 1217444778 /nfs/dbraw/zinc/44/47/78/1217444778.db2.gz IZFZXJFZJCLKCD-FYQILQCXSA-N 0 3 368.441 0.152 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(c3cnc(F)cn3)C[C@H]2OC)CC1 ZINC001042842796 1217480997 /nfs/dbraw/zinc/48/09/97/1217480997.db2.gz GFDHTCJWZXCPQF-HUUCEWRRSA-N 0 3 361.421 0.281 20 30 FCEDHN CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)[C@H]1CCCN1C(C)C ZINC001042894396 1217502189 /nfs/dbraw/zinc/50/21/89/1217502189.db2.gz YBUGPELCPACDRV-BZUAXINKSA-N 0 3 358.446 0.541 20 30 FCEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)CN(CC)CC)C1 ZINC001043159853 1217581771 /nfs/dbraw/zinc/58/17/71/1217581771.db2.gz KALQESIJDHPQCQ-RDJZCZTQSA-N 0 3 367.490 0.389 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(O)(CNC(=O)C(C)(C)N(C)CC)C1 ZINC001043613898 1217684427 /nfs/dbraw/zinc/68/44/27/1217684427.db2.gz ZDMHBAQSATZTHI-CABCVRRESA-N 0 3 367.490 0.387 20 30 FCEDHN CC#CCN1CC[C@@H]2CCN(C(=O)CCNC(=O)c3cnccn3)C[C@@H]21 ZINC001224184036 1225763873 /nfs/dbraw/zinc/76/38/73/1225763873.db2.gz QFSHYAKEBGSBTI-WBVHZDCISA-N 0 3 355.442 0.543 20 30 FCEDHN Cc1cc(C#N)nc(N2C[C@H]3OCCN(C(=O)CN4CC[C@H](C)C4)[C@H]3C2)n1 ZINC001043790597 1217744340 /nfs/dbraw/zinc/74/43/40/1217744340.db2.gz FQKMPZLIIUTXEJ-RRQGHBQHSA-N 0 3 370.457 0.415 20 30 FCEDHN C[C@H]1CCN(CC(=O)N2CCO[C@@H]3CN(c4nccnc4C#N)C[C@@H]32)C1 ZINC001043790215 1217744499 /nfs/dbraw/zinc/74/44/99/1217744499.db2.gz DGHLKEGKQLPFBI-CWRNSKLLSA-N 0 3 356.430 0.106 20 30 FCEDHN C[C@@H]1CCN(CC(=O)N2CCO[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]32)C1 ZINC001043791528 1217745213 /nfs/dbraw/zinc/74/52/13/1217745213.db2.gz RRWBBSRVCTXZJM-VNQPRFMTSA-N 0 3 356.430 0.106 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(c3nc(C)ccc3C#N)C[C@@H]2O)CC1 ZINC001043989046 1217787459 /nfs/dbraw/zinc/78/74/59/1217787459.db2.gz LMFXGAWBZCMAAJ-MSOLQXFVSA-N 0 3 367.453 0.273 20 30 FCEDHN CN(C)Cc1ccccc1C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1O ZINC001043993245 1217788311 /nfs/dbraw/zinc/78/83/11/1217788311.db2.gz SORADKUWGQADCW-MOPGFXCFSA-N 0 3 365.437 0.994 20 30 FCEDHN C[C@@H](C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O)N1CCCCCC1 ZINC001044198537 1217816846 /nfs/dbraw/zinc/81/68/46/1217816846.db2.gz SCJYSWPLIXUODL-UAGQMJEPSA-N 0 3 357.458 0.883 20 30 FCEDHN CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O ZINC001044778804 1217879793 /nfs/dbraw/zinc/87/97/93/1217879793.db2.gz LFDMCBGEUWIZMI-ILXRZTDVSA-N 0 3 358.446 0.134 20 30 FCEDHN CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O ZINC001044779243 1217880005 /nfs/dbraw/zinc/88/00/05/1217880005.db2.gz XLWGKFZRQKYMKZ-OAGGEKHMSA-N 0 3 358.446 0.134 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1CNCc1cc(=O)n2nccc2[nH]1 ZINC001045208383 1217911567 /nfs/dbraw/zinc/91/15/67/1217911567.db2.gz CXRQXCLXRLVMOA-XHSDSOJGSA-N 0 3 371.441 0.694 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NC1(C)CCN(CCN2CCNC2=O)CC1 ZINC001045442278 1217928653 /nfs/dbraw/zinc/92/86/53/1217928653.db2.gz DMSWABLUNYRLSI-CVEARBPZSA-N 0 3 364.490 0.964 20 30 FCEDHN CCO[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1CNc1ccncc1C#N ZINC001047938601 1218203846 /nfs/dbraw/zinc/20/38/46/1218203846.db2.gz JTAFRPZIBJYIFU-KVSKMBFKSA-N 0 3 371.485 0.992 20 30 FCEDHN CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CNc1cc(C)ncc1C#N ZINC001047956239 1218205319 /nfs/dbraw/zinc/20/53/19/1218205319.db2.gz XAEUBZZBYVODLO-CRAIPNDOSA-N 0 3 368.441 0.925 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccnn1C ZINC001225201904 1225804347 /nfs/dbraw/zinc/80/43/47/1225804347.db2.gz MRZWSRRXTHHEKG-CHWSQXEVSA-N 0 3 362.434 0.063 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001048995635 1218362592 /nfs/dbraw/zinc/36/25/92/1218362592.db2.gz ICSJZZNBZVOYDF-XAJHFOFHSA-N 0 3 367.490 0.194 20 30 FCEDHN C#CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCc1cccc(OC)n1 ZINC001225778980 1225822414 /nfs/dbraw/zinc/82/24/14/1225822414.db2.gz FYSWTCVXIXWDCY-HZPDHXFCSA-N 0 3 358.442 0.747 20 30 FCEDHN CN(C)[C@H](C(=O)N1C[C@H]2CCN(c3cncc(C#N)n3)C[C@H]2C1)C1CC1 ZINC001049533381 1218477384 /nfs/dbraw/zinc/47/73/84/1218477384.db2.gz UEYQAMOJZRDNNV-VKJFTORMSA-N 0 3 354.458 0.973 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NCCC ZINC001225947630 1225829572 /nfs/dbraw/zinc/82/95/72/1225829572.db2.gz ZEPFAQIAUFHEMK-HBUWYVDXSA-N 0 3 368.478 0.566 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)N2CCC2)CC1 ZINC001096607838 1218576531 /nfs/dbraw/zinc/57/65/31/1218576531.db2.gz KAUYFDFLDSEDBH-SQNIBIBYSA-N 0 3 358.486 0.285 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)C1CCCC1 ZINC001226382205 1225842076 /nfs/dbraw/zinc/84/20/76/1225842076.db2.gz BZCZJFGFQAEKFR-HZPDHXFCSA-N 0 3 364.490 0.612 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Cn1ccc(C)n1 ZINC001226442689 1225844454 /nfs/dbraw/zinc/84/44/54/1225844454.db2.gz ZHOBBLVZECQVKI-DJIMGWMZSA-N 0 3 359.474 0.594 20 30 FCEDHN CC(C)Cn1ccc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)n1 ZINC001226533306 1225846009 /nfs/dbraw/zinc/84/60/09/1225846009.db2.gz VADDIEWRCVQJEW-HUUCEWRRSA-N 0 3 360.462 0.809 20 30 FCEDHN C#CCN1CCN(C(=O)CN2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)CC1 ZINC000748812239 1218825083 /nfs/dbraw/zinc/82/50/83/1218825083.db2.gz ASKNBECDRALSNX-KDURUIRLSA-N 0 3 352.482 0.832 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCCCC)CC1 ZINC001111454912 1218846521 /nfs/dbraw/zinc/84/65/21/1218846521.db2.gz DAQAXTSNAFOJPV-QRVBRYPASA-N 0 3 374.529 0.969 20 30 FCEDHN Cn1ncc(C2CC2)c1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N ZINC001226713921 1225852715 /nfs/dbraw/zinc/85/27/15/1225852715.db2.gz LKCVZAGMZSZOIA-HUUCEWRRSA-N 0 3 358.446 0.568 20 30 FCEDHN C#CCC1(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)CCOCC1 ZINC001226696063 1225852754 /nfs/dbraw/zinc/85/27/54/1225852754.db2.gz DQHUCUUSLKPKRY-HZPDHXFCSA-N 0 3 360.458 0.463 20 30 FCEDHN COc1cc(C)cnc1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N ZINC001226837459 1225855562 /nfs/dbraw/zinc/85/55/62/1225855562.db2.gz JQCGTSCQHSCHDH-ZIAGYGMSSA-N 0 3 359.430 0.669 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1nccc2cccnc21 ZINC001226844983 1225855583 /nfs/dbraw/zinc/85/55/83/1225855583.db2.gz WJNPTOHUXDXEQO-HUUCEWRRSA-N 0 3 366.425 0.900 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnc2cc[nH]c2c1 ZINC001226983597 1225859864 /nfs/dbraw/zinc/85/98/64/1225859864.db2.gz HHNPUCZFANUYFW-UKRRQHHQSA-N 0 3 354.414 0.833 20 30 FCEDHN Cn1cnc2cccc(C(=O)N[C@@H]3CCCC[C@H]3NCC(=O)NCC#N)c21 ZINC001227149671 1225864619 /nfs/dbraw/zinc/86/46/19/1225864619.db2.gz CARPPSZREKGTGU-HUUCEWRRSA-N 0 3 368.441 0.844 20 30 FCEDHN C=CCN1CC[C@@]2(CCCN(Cc3cn(C)c(=O)n(C)c3=O)CC2)C1=O ZINC001277177908 1225862524 /nfs/dbraw/zinc/86/25/24/1225862524.db2.gz JOTINBMHBICPKN-IBGZPJMESA-N 0 3 360.458 0.475 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2cncc2C1 ZINC001227128778 1225864090 /nfs/dbraw/zinc/86/40/90/1225864090.db2.gz ZBYWQPIWHFGLLE-FVQBIDKESA-N 0 3 358.446 0.102 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn(C)nc1COC ZINC001227135213 1225864427 /nfs/dbraw/zinc/86/44/27/1225864427.db2.gz GOIBJUIEAMEFHQ-HUUCEWRRSA-N 0 3 363.462 0.499 20 30 FCEDHN C=CCN1C[C@@H](NC(=O)c2[nH]nc3c2C[C@@H](C)CC3)[C@@H](n2ccnn2)C1 ZINC001070067838 1219131067 /nfs/dbraw/zinc/13/10/67/1219131067.db2.gz QUOMALULQWEASQ-MAZHCROVSA-N 0 3 355.446 0.967 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(C(N)=O)cn1C ZINC001227320096 1225870446 /nfs/dbraw/zinc/87/04/46/1225870446.db2.gz OTFOKIWLLZUMMX-ZIAGYGMSSA-N 0 3 361.446 0.057 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H]2CCc3nncn3C2)[C@@H](n2ccnn2)C1 ZINC001070102593 1219177763 /nfs/dbraw/zinc/17/77/63/1219177763.db2.gz SAGAYIFQZGDZLO-OAGGEKHMSA-N 0 3 370.461 0.440 20 30 FCEDHN N#Cc1cccc(CN[C@@H]2CN(C(=O)c3ccn[nH]3)C[C@@H]2n2ccnn2)c1 ZINC001070146824 1219227576 /nfs/dbraw/zinc/22/75/76/1219227576.db2.gz HOLGVFYLGKHSNM-SJORKVTESA-N 0 3 362.397 0.728 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnc2nccn2c1 ZINC001227483827 1225877104 /nfs/dbraw/zinc/87/71/04/1225877104.db2.gz VQBBPOYYJVMVLI-HUUCEWRRSA-N 0 3 356.430 0.662 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001227654988 1225880947 /nfs/dbraw/zinc/88/09/47/1225880947.db2.gz AQMKJKSXUJIYNB-KLHDSHLOSA-N 0 3 359.474 0.843 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)C[C@H](C)n2ccnc2CC)C[C@@H]1n1ccnn1 ZINC001070196767 1219287818 /nfs/dbraw/zinc/28/78/18/1219287818.db2.gz KORCBVRPEHVKBX-XHSDSOJGSA-N 0 3 355.446 0.663 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cccc3c2OCCO3)C[C@@H]1n1ccnn1 ZINC001070206293 1219292243 /nfs/dbraw/zinc/29/22/43/1219292243.db2.gz SLHIWJVVHUHJJM-CABCVRRESA-N 0 3 355.398 0.891 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc(NC(C)=O)cn2)C[C@@H]1n1ccnn1 ZINC001070206736 1219292989 /nfs/dbraw/zinc/29/29/89/1219292989.db2.gz QUNPQXLPTHZODM-CVEARBPZSA-N 0 3 355.402 0.473 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ncn(C)c32)C[C@@H]1n1ccnn1 ZINC001070207877 1219294202 /nfs/dbraw/zinc/29/42/02/1219294202.db2.gz SZCHHKMDOFHQRP-OLZOCXBDSA-N 0 3 368.401 0.107 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cccc3c2NC(=O)CO3)C[C@@H]1n1ccnn1 ZINC001070210558 1219295483 /nfs/dbraw/zinc/29/54/83/1219295483.db2.gz NUCNLDGQBVRQPH-KGLIPLIRSA-N 0 3 368.397 0.450 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cn3c(n2)C[C@H](C)CC3)C[C@@H]1n1ccnn1 ZINC001070217536 1219299426 /nfs/dbraw/zinc/29/94/26/1219299426.db2.gz HNBPCBOBVFJTTO-FMKPAKJESA-N 0 3 355.446 0.898 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2CCCc3nn(C)cc32)C[C@@H]1n1ccnn1 ZINC001070259173 1219328814 /nfs/dbraw/zinc/32/88/14/1219328814.db2.gz ANAGESDKACXRGX-XKQJLSEDSA-N 0 3 355.446 0.659 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cc(-n3ccnc3)ccn2)C[C@@H]1n1ccnn1 ZINC001070306457 1219364220 /nfs/dbraw/zinc/36/42/20/1219364220.db2.gz 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CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2ccc(=O)[nH]n2)CC1 ZINC001070364492 1219397651 /nfs/dbraw/zinc/39/76/51/1219397651.db2.gz MGYOWGPZSRVNSP-KDOFPFPSSA-N 0 3 371.441 0.295 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2nccnc2N)CC1 ZINC001070367393 1219399509 /nfs/dbraw/zinc/39/95/09/1219399509.db2.gz SFORQXKNCWAGLV-ZBFHGGJFSA-N 0 3 370.457 0.171 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2nccc(C)n2)CC1 ZINC001070369709 1219400597 /nfs/dbraw/zinc/40/05/97/1219400597.db2.gz LZVWVKADDMQZLU-AEFFLSMTSA-N 0 3 369.469 0.897 20 30 FCEDHN C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001070373060 1219402792 /nfs/dbraw/zinc/40/27/92/1219402792.db2.gz XHAKIEOEZSHDJX-NNFUDEMPSA-N 0 3 369.469 0.622 20 30 FCEDHN CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2[n-]nnc2C)CC1 ZINC001070376330 1219404171 /nfs/dbraw/zinc/40/41/71/1219404171.db2.gz XIDAIAPHKCYUFL-PBHICJAKSA-N 0 3 358.446 0.225 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2[nH]cnc2C)CC1 ZINC001070383578 1219407713 /nfs/dbraw/zinc/40/77/13/1219407713.db2.gz IEGIZXDBSXALAS-QAPCUYQASA-N 0 3 357.458 0.830 20 30 FCEDHN CC#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001070412536 1219409836 /nfs/dbraw/zinc/40/98/36/1219409836.db2.gz CANIVSHXHYBKLY-HLLBOEOZSA-N 0 3 359.474 0.558 20 30 FCEDHN Cn1cnc([C@@H]2CN(C(=O)CC(N)=O)C[C@H]2NCc2cccc(C#N)c2)c1 ZINC001070477842 1219428527 /nfs/dbraw/zinc/42/85/27/1219428527.db2.gz WMQLPEFABMQQTL-DOTOQJQBSA-N 0 3 366.425 0.251 20 30 FCEDHN Cn1cnc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2NCc2cnn(C)c2)c1 ZINC001070491839 1219437484 /nfs/dbraw/zinc/43/74/84/1219437484.db2.gz IAKLITYWANIXPM-FUHWJXTLSA-N 0 3 352.442 0.651 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cnn3ncccc23)C[C@H]1c1cn(C)cn1 ZINC001070500704 1219441104 /nfs/dbraw/zinc/44/11/04/1219441104.db2.gz CVIZQGZYXSCJPW-GOEBONIOSA-N 0 3 351.414 0.847 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@H]2CCc3nccn3C2)C[C@H]1c1cn(C)cn1 ZINC001070506432 1219443345 /nfs/dbraw/zinc/44/33/45/1219443345.db2.gz ANJVRPXTGZNTQL-YQQAZPJKSA-N 0 3 352.442 0.396 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cc2ccccc2C(N)=O)C[C@H]1c1cn(C)cn1 ZINC001070520773 1219450566 /nfs/dbraw/zinc/45/05/66/1219450566.db2.gz HGZUNHUMFKGXPC-FUHWJXTLSA-N 0 3 367.453 0.832 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)Cn2ccnc2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001070539853 1219459338 /nfs/dbraw/zinc/45/93/38/1219459338.db2.gz OAGXBAOVPDLQLX-DOTOQJQBSA-N 0 3 354.458 0.957 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CC)C[C@H]1c1cn(C)cn1 ZINC001070551669 1219465758 /nfs/dbraw/zinc/46/57/58/1219465758.db2.gz AEGRWTMXQDFJAD-HLLBOEOZSA-N 0 3 359.474 0.891 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc(N(C)C)nn2)C[C@H]1c1cn(C)cn1 ZINC001070555830 1219468367 /nfs/dbraw/zinc/46/83/67/1219468367.db2.gz VXJMRWHJHDWBMJ-XJKSGUPXSA-N 0 3 355.446 0.660 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cc2ccc(C(N)=O)cc2)C[C@H]1c1cn(C)cn1 ZINC001070569216 1219473815 /nfs/dbraw/zinc/47/38/15/1219473815.db2.gz YQFYDYNINVRKLH-FUHWJXTLSA-N 0 3 367.453 0.832 20 30 FCEDHN C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c(C)nc[n-]c1=O ZINC001228138202 1225896991 /nfs/dbraw/zinc/89/69/91/1225896991.db2.gz QGOHKJTYURENAF-MGPQQGTHSA-N 0 3 361.446 0.812 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnc2n1CCCC2 ZINC001228150430 1225897422 /nfs/dbraw/zinc/89/74/22/1225897422.db2.gz FVLKVMOPJUIGNF-ZIAGYGMSSA-N 0 3 358.446 0.490 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@H]1c1cncn1C ZINC001070660376 1219512468 /nfs/dbraw/zinc/51/24/68/1219512468.db2.gz BBEAWZNOZALIMN-HZPDHXFCSA-N 0 3 351.410 0.350 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3O2)C[C@H]1c1cncn1C ZINC001070665640 1219516006 /nfs/dbraw/zinc/51/60/06/1219516006.db2.gz KWMYHQMYENAQPW-MDZRGWNJSA-N 0 3 350.422 0.941 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)Cc2ccn(C(C)C)n2)C[C@H]1c1cncn1C ZINC001070671255 1219518218 /nfs/dbraw/zinc/51/82/18/1219518218.db2.gz FOKSLQBDKCAMFC-IAGOWNOFSA-N 0 3 354.458 0.957 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2ccc3nonc3c2)C[C@H]1c1cncn1C ZINC001070684646 1219524081 /nfs/dbraw/zinc/52/40/81/1219524081.db2.gz SLZPUPSABQGQAI-CZUORRHYSA-N 0 3 350.382 0.787 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCC)C2)C[C@H]1c1cncn1C ZINC001070696275 1219530431 /nfs/dbraw/zinc/53/04/31/1219530431.db2.gz KATCNKDIWDUSHL-ARFHVFGLSA-N 0 3 357.458 0.196 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cnccc2N(C)C)C[C@H]1c1cncn1C ZINC001070710708 1219537997 /nfs/dbraw/zinc/53/79/97/1219537997.db2.gz OUTGPRBSIQAQMF-HZPDHXFCSA-N 0 3 352.442 0.712 20 30 FCEDHN C=CCn1cccc1C(=O)N1CCC([C@@H]2OCC[C@H]2NCC(N)=O)CC1 ZINC001071061959 1219597321 /nfs/dbraw/zinc/59/73/21/1219597321.db2.gz BKAWEODIJVOOQO-QAPCUYQASA-N 0 3 360.458 0.759 20 30 FCEDHN N#CCN1CCN(Cc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)CC1 ZINC001074112417 1219684761 /nfs/dbraw/zinc/68/47/61/1219684761.db2.gz YJBGZWKGMCSIPW-IAGOWNOFSA-N 0 3 357.414 0.609 20 30 FCEDHN COCC#CCN(CCO)C1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC001098432052 1219779306 /nfs/dbraw/zinc/77/93/06/1219779306.db2.gz JQBHUBCKBPJYRI-YTQUADARSA-N 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N#Cc1ccc(N2C[C@]3(COCCN(C(=O)C4(N)CC4)C3)OCC2=O)cc1 ZINC001158942028 1223113524 /nfs/dbraw/zinc/11/35/24/1223113524.db2.gz NSJHKVVZKMCHPX-GOSISDBHSA-N 0 3 370.409 0.010 20 30 FCEDHN C=CCN1C(=O)CC[C@]12CCCN(C(=O)[C@H](N)CCCNC(N)=O)CC2 ZINC001159653226 1223132305 /nfs/dbraw/zinc/13/23/05/1223132305.db2.gz QYWKMWWWAWWYNL-KDOFPFPSSA-N 0 3 365.478 0.322 20 30 FCEDHN C#CCNC(=O)CNCCN(CCc1ccccc1)C(=O)[C@H]1CC[C@@H](C)O1 ZINC001162940081 1223222167 /nfs/dbraw/zinc/22/21/67/1223222167.db2.gz PGVLIWBHGYBRTR-IEBWSBKVSA-N 0 3 371.481 0.964 20 30 FCEDHN C=CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)CCc2cn[nH]n2)C1 ZINC001205188159 1223315287 /nfs/dbraw/zinc/31/52/87/1223315287.db2.gz BBDIZQMIGWFGJO-QZTJIDSGSA-N 0 3 355.442 0.997 20 30 FCEDHN C=CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)CCc2c[nH]nn2)C1 ZINC001205188159 1223315290 /nfs/dbraw/zinc/31/52/90/1223315290.db2.gz BBDIZQMIGWFGJO-QZTJIDSGSA-N 0 3 355.442 0.997 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)Cn2ncnn2)CC[C@H]1c1ccc(F)cc1 ZINC001205282756 1223319338 /nfs/dbraw/zinc/31/93/38/1223319338.db2.gz LNTBHAIRWOPRSL-DLBZAZTESA-N 0 3 356.405 0.810 20 30 FCEDHN C#CCN1CCC2(CN(C(=O)CCC(=O)NCCC)[C@@H]3COC[C@@H]32)CC1 ZINC001205516677 1223329736 /nfs/dbraw/zinc/32/97/36/1223329736.db2.gz QBVGCYABILLKKL-DLBZAZTESA-N 0 3 361.486 0.865 20 30 FCEDHN C#CCNC(=O)CC(=O)N[C@@H]1CN(CCOc2ccc(C)cc2)C[C@H]1C ZINC001206892697 1223379835 /nfs/dbraw/zinc/37/98/35/1223379835.db2.gz CPOICEVFGNPLDZ-SJLPKXTDSA-N 0 3 357.454 0.950 20 30 FCEDHN Cn1cnnc1CN1CC[C@]2(CCN(Cc3ccc(C#N)cn3)C2)C1=O ZINC001276503794 1223408012 /nfs/dbraw/zinc/40/80/12/1223408012.db2.gz RXKPTFFBCXZCBU-SFHVURJKSA-N 0 3 351.414 0.706 20 30 FCEDHN C#CCC1(C(=O)N[C@@H]2CN(CCCN3C(=O)CNC3=O)C[C@H]2C)CCC1 ZINC001207521818 1223451387 /nfs/dbraw/zinc/45/13/87/1223451387.db2.gz JAZAUHQSKKFHDU-HUUCEWRRSA-N 0 3 360.458 0.558 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 ZINC001208068112 1223512488 /nfs/dbraw/zinc/51/24/88/1223512488.db2.gz XHODSOKXVLKXEU-LMMKCTJWSA-N 0 3 370.453 0.489 20 30 FCEDHN C#Cc1ccc(CN2CC[C@@]3(C2)CN([C@H](CC)C(N)=O)C(=O)CO3)cc1 ZINC001276558581 1223518986 /nfs/dbraw/zinc/51/89/86/1223518986.db2.gz RPLXSFUSBGVEGD-YLJYHZDGSA-N 0 3 355.438 0.735 20 30 FCEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@H](O)COCCOC)C[C@H]2C)cc1 ZINC001208275793 1223528923 /nfs/dbraw/zinc/52/89/23/1223528923.db2.gz XRZWCERWJNTQND-AYOQOUSVSA-N 0 3 360.454 0.742 20 30 FCEDHN CCN(CCC#N)C(=O)CN1C[C@@H](C)[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001208590050 1223559597 /nfs/dbraw/zinc/55/95/97/1223559597.db2.gz ANDIQSVFLGRVHB-GVDBMIGSSA-N 0 3 363.506 0.527 20 30 FCEDHN C#CCNC(=O)CN1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001208598106 1223561651 /nfs/dbraw/zinc/56/16/51/1223561651.db2.gz XOBDCPYKGWYXPD-CLCXKQKWSA-N 0 3 366.481 0.385 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H](C)[C@H](NC(=O)CN(CC)CC)C1 ZINC001209649568 1223637558 /nfs/dbraw/zinc/63/75/58/1223637558.db2.gz RIZYAJIVNILAPD-QLFBSQMISA-N 0 3 367.494 0.165 20 30 FCEDHN 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ZINC001211350075 1223736253 /nfs/dbraw/zinc/73/62/53/1223736253.db2.gz OJPSBRXIALFYOU-GPMSIDNRSA-N 0 3 370.497 0.936 20 30 FCEDHN C=CCO[C@@H](C)C(=O)N[C@@H]1CN(CCCCCn2cncn2)C[C@H]1OC ZINC001213963388 1223878339 /nfs/dbraw/zinc/87/83/39/1223878339.db2.gz BMZZBVUSPYEQEK-GVDBMIGSSA-N 0 3 365.478 0.855 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)/C=C\c2ccco2)C[C@H]1C ZINC001214054266 1223887801 /nfs/dbraw/zinc/88/78/01/1223887801.db2.gz JIAGVKHLHIETHN-ONHQGNBLSA-N 0 3 360.414 0.741 20 30 FCEDHN C=CCCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NCC=C)C1 ZINC001214282613 1223899943 /nfs/dbraw/zinc/89/99/43/1223899943.db2.gz KRVSLXDYIDHBRP-QLFBSQMISA-N 0 3 366.462 0.416 20 30 FCEDHN C=CCCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)N2CCC(C(N)=O)CC2)C1 ZINC001214305736 1223900208 /nfs/dbraw/zinc/90/02/08/1223900208.db2.gz LCRUTJUMOAXNLA-IIAWOOMASA-N 0 3 364.490 0.502 20 30 FCEDHN C=CCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC[C@@H](NC(C)=O)C2)C1 ZINC001214304419 1223900230 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C=CCCCN1C[C@@H](NC(=O)c2cccc(=O)n2C)[C@@H](n2ccnn2)C1 ZINC001129248398 1259354004 /nfs/dbraw/zinc/35/40/04/1259354004.db2.gz HFRUZSWBAIKVSW-ZBFHGGJFSA-N 0 3 356.430 0.598 20 30 FCEDHN Cc1cn2ccc(C(=O)N3C[C@@H](C)[C@H](NCC(=O)NCC#N)C3)cc2n1 ZINC001215536551 1259534726 /nfs/dbraw/zinc/53/47/26/1259534726.db2.gz RZHFRDLVGHOHIB-IUODEOHRSA-N 0 3 354.414 0.333 20 30 FCEDHN C#CCN1CCC[C@H](NC(=O)/C=C(/C)C(=O)N[C@H]2CCCN(CC#C)C2)C1 ZINC001521976712 1266270752 /nfs/dbraw/zinc/27/07/52/1266270752.db2.gz RNNCBGZYHUZWGW-FRZLUIPESA-N 0 3 370.497 0.360 20 30 FCEDHN N#Cc1c(N)nc(=NC2CC2)n(C2=CC[C@@H](N3CCOCC3)CC2)c1N ZINC001249553789 1259724111 /nfs/dbraw/zinc/72/41/11/1259724111.db2.gz KTNWQQMJIWOHCU-CYBMUJFWSA-N 0 3 355.446 0.708 20 30 FCEDHN C#CCOC[C@@H](O)CN1CC[C@@]2(C1)COCc1c(C)nc(N(C)C)nc12 ZINC001251841039 1259764550 /nfs/dbraw/zinc/76/45/50/1259764550.db2.gz ZLVVGGGTSFPWOM-HNAYVOBHSA-N 0 3 360.458 0.335 20 30 FCEDHN C=C[C@](C)(O)CNCC(=O)NCC(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001252587549 1259797492 /nfs/dbraw/zinc/79/74/92/1259797492.db2.gz SWTXPDKMNDLGMT-IBGZPJMESA-N 0 3 373.409 0.683 20 30 FCEDHN N#C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CCN1C1CC1 ZINC001332036788 1266321105 /nfs/dbraw/zinc/32/11/05/1266321105.db2.gz JGSYRBGXSPYGNC-SJORKVTESA-N 0 3 359.474 0.272 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NCC(=O)N(CC)c2ccccc2)CC1 ZINC001262250696 1260288860 /nfs/dbraw/zinc/28/88/60/1260288860.db2.gz BJPKCEKQRHRBFB-UHFFFAOYSA-N 0 3 372.469 0.922 20 30 FCEDHN C#Cc1ccc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cc1 ZINC001337042155 1260292527 /nfs/dbraw/zinc/29/25/27/1260292527.db2.gz GEWAANUHDUKSHB-KRWDZBQOSA-N 0 3 370.453 0.665 20 30 FCEDHN C=CCn1c(CC2CC(O)C2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001262931449 1260334475 /nfs/dbraw/zinc/33/44/75/1260334475.db2.gz NRKOKFKCQNPDQZ-GTPINHCMSA-N 0 3 361.490 0.936 20 30 FCEDHN C=CCn1cc(CNC(=O)C(=O)N(CCN(C)C)Cc2ccc(C)o2)nn1 ZINC001332057849 1266326341 /nfs/dbraw/zinc/32/63/41/1266326341.db2.gz CDFJADQDNSGZTN-UHFFFAOYSA-N 0 3 374.445 0.572 20 30 FCEDHN CC(C)Cn1c(Cn2cnc(C#N)n2)nnc1N1CCN(CC2CC2)CC1 ZINC001263421069 1260346535 /nfs/dbraw/zinc/34/65/35/1260346535.db2.gz GHDKCVOWRNCPIO-UHFFFAOYSA-N 0 3 369.477 0.978 20 30 FCEDHN C=CCN1C[C@@]2(CCN(C(=O)CCCN3CCN(C)CC3)C2)OCC1=O ZINC001272632604 1260467300 /nfs/dbraw/zinc/46/73/00/1260467300.db2.gz KQGHNAJQGXDYBG-LJQANCHMSA-N 0 3 364.490 0.030 20 30 FCEDHN CN(C)CCN1CCC2(CCN(C(=O)C#Cc3ccn(C)n3)CC2)C1=O ZINC001272769849 1260502808 /nfs/dbraw/zinc/50/28/08/1260502808.db2.gz VKAHMATVELNGBZ-UHFFFAOYSA-N 0 3 357.458 0.174 20 30 FCEDHN CN1CCN(Cc2cnn3ccc(C#N)cc23)C[C@]2(CCCC(=O)N2)C1 ZINC001279952655 1260973196 /nfs/dbraw/zinc/97/31/96/1260973196.db2.gz PTTRQOGMHWLRGK-IBGZPJMESA-N 0 3 352.442 0.992 20 30 FCEDHN C[C@@H](CNC(=O)C(=O)NCC#Cc1ccccc1)CN1CCN(C)CC1 ZINC001345201682 1261650123 /nfs/dbraw/zinc/65/01/23/1261650123.db2.gz AJQDKIIZRUTJCR-KRWDZBQOSA-N 0 3 356.470 0.154 20 30 FCEDHN COc1ncc(NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1C#N ZINC001311197608 1263251082 /nfs/dbraw/zinc/25/10/82/1263251082.db2.gz RACIGXLPWHRVEE-OAHLLOKOSA-N 0 3 372.429 0.732 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(=O)n(CCOC)c2)CC1 ZINC001319210892 1263665836 /nfs/dbraw/zinc/66/58/36/1263665836.db2.gz JSMRWSJPGCSGOU-UHFFFAOYSA-N 0 3 362.430 0.200 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H]2COc3cc(OC)ccc3C2)CC1 ZINC001322542733 1264214750 /nfs/dbraw/zinc/21/47/50/1264214750.db2.gz IMFZYDPYKDAPDE-MRXNPFEDSA-N 0 3 373.453 0.882 20 30 FCEDHN C#CCOCCNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC001323028671 1264320877 /nfs/dbraw/zinc/32/08/77/1264320877.db2.gz BTTQCDCVNKOVLT-UHFFFAOYSA-N 0 3 367.396 0.621 20 30 FCEDHN C#CCOc1ccccc1CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC001323751455 1264503635 /nfs/dbraw/zinc/50/36/35/1264503635.db2.gz LMLZRMNJRXLJCE-DLBZAZTESA-N 0 3 371.437 0.294 20 30 FCEDHN C#CC[C@H](NC(=O)C(=O)N(C)CCCN1CCN(C)CC1)c1ccccc1 ZINC001324533501 1264666019 /nfs/dbraw/zinc/66/60/19/1264666019.db2.gz ULGLYLKEDYHJIZ-IBGZPJMESA-N 0 3 370.497 0.963 20 30 FCEDHN C#CCOCCNC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001324877960 1264724706 /nfs/dbraw/zinc/72/47/06/1264724706.db2.gz JJSVVCGDNJLWKV-GOSISDBHSA-N 0 3 373.453 0.160 20 30 FCEDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C1 ZINC001325213369 1264812719 /nfs/dbraw/zinc/81/27/19/1264812719.db2.gz CNMIZHHMVKPSJY-IRXDYDNUSA-N 0 3 356.426 0.470 20 30 FCEDHN N#Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CCCN(CCCO)C3)CC2=O)cc1 ZINC001325232527 1264820117 /nfs/dbraw/zinc/82/01/17/1264820117.db2.gz RPDVNHNTRWFULE-IAGOWNOFSA-N 0 3 370.453 0.874 20 30 FCEDHN CN1CCN(Cc2cccc(CNC(=O)N3CC[C@@](O)(CC#N)C3)c2)CC1 ZINC001326280060 1265092343 /nfs/dbraw/zinc/09/23/43/1265092343.db2.gz NVADAYVAMMHZLO-FQEVSTJZSA-N 0 3 371.485 0.994 20 30 FCEDHN CN1CCN(C2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3)CC2)CC1 ZINC001332717695 1266466412 /nfs/dbraw/zinc/46/64/12/1266466412.db2.gz LFFFRTAJSLEFBE-UHFFFAOYSA-N 0 3 369.469 0.413 20 30 FCEDHN C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001338785668 1268093713 /nfs/dbraw/zinc/09/37/13/1268093713.db2.gz NHPXWILZWWEPCG-CABCVRRESA-N 0 3 374.489 0.757 20 30 FCEDHN C#CCN1CCC[C@H]1c1nnc(N2CCC(N3CCN(C)CC3)CC2)n1C ZINC001338895041 1268115892 /nfs/dbraw/zinc/11/58/92/1268115892.db2.gz KISLQGXGYPPJEZ-SFHVURJKSA-N 0 3 371.533 0.801 20 30 FCEDHN C=CCn1c(-c2ncnn2C)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001339246366 1268195115 /nfs/dbraw/zinc/19/51/15/1268195115.db2.gz RPISYRLTBIYOOL-CQSZACIVSA-N 0 3 358.450 0.418 20 30 FCEDHN CCN1CCN([C@H](C)CNC(=O)CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001339395933 1268228878 /nfs/dbraw/zinc/22/88/78/1268228878.db2.gz HKFOCWYEKNZRMO-IAFNSTAXSA-N 0 3 363.462 0.045 20 30 FCEDHN C=CCn1c(Cc2cc[nH]n2)nnc1N1CCC(N2CCN(C)CC2)CC1 ZINC001339606123 1268280600 /nfs/dbraw/zinc/28/06/00/1268280600.db2.gz GWAUUZBLWIHOEH-UHFFFAOYSA-N 0 3 370.505 0.994 20 30 FCEDHN C=CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC ZINC001341126142 1268795397 /nfs/dbraw/zinc/79/53/97/1268795397.db2.gz BTMJDMUSNJYLLE-HNNXBMFYSA-N 0 3 362.478 0.743 20 30 FCEDHN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC001341181696 1268839494 /nfs/dbraw/zinc/83/94/94/1268839494.db2.gz KHCFRLJCQLPYQF-JZXOWHBKSA-N 0 3 368.437 0.641 20 30 FCEDHN COCCn1c(C[C@H](O)CC#N)nnc1N1CCN(C2CCCC2)CC1 ZINC001341374020 1268960769 /nfs/dbraw/zinc/96/07/69/1268960769.db2.gz IXNBBNSZDCRQEQ-MRXNPFEDSA-N 0 3 362.478 0.806 20 30 FCEDHN Cn1cc(C#N)cc1-c1nnc(N2CCN(C3CCOCC3)CC2)n1C ZINC001341496255 1269033727 /nfs/dbraw/zinc/03/37/27/1269033727.db2.gz RKEOLMHJEHJHQM-UHFFFAOYSA-N 0 3 355.446 0.993 20 30 FCEDHN COC(=O)C1(C#N)CCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC001564037306 1269404956 /nfs/dbraw/zinc/40/49/56/1269404956.db2.gz KEZVZUGRIRBREH-HNNXBMFYSA-N 0 3 365.478 0.358 20 30 FCEDHN C=CCn1c(-c2cn[nH]c(=O)c2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001342486837 1269488242 /nfs/dbraw/zinc/48/82/42/1269488242.db2.gz MOPQVELTFLGWOL-UHFFFAOYSA-N 0 3 371.445 0.928 20 30 FCEDHN COCCn1c(C2CCN(CCO)CC2)nnc1N(C)[C@H](C)CC#N ZINC001342755349 1269591316 /nfs/dbraw/zinc/59/13/16/1269591316.db2.gz BSKQGNZLKHJBIK-CQSZACIVSA-N 0 3 350.467 0.835 20 30 FCEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC001342807640 1269619133 /nfs/dbraw/zinc/61/91/33/1269619133.db2.gz ODLHAPBGKGCNFP-OAHLLOKOSA-N 0 3 373.457 0.670 20 30 FCEDHN COCCn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001342834054 1269633147 /nfs/dbraw/zinc/63/31/47/1269633147.db2.gz VYGGAZPWXUTSHQ-ARFHVFGLSA-N 0 3 360.462 0.710 20 30 FCEDHN C#CCC1(C(=O)NCC2(NCC(=O)NCc3cn[nH]n3)CC2)CCCCC1 ZINC001574850755 1271600117 /nfs/dbraw/zinc/60/01/17/1271600117.db2.gz URJVHWHWQPNYMX-UHFFFAOYSA-N 0 3 372.473 0.633 20 30 FCEDHN C=CCn1c(C2CCCC2)nnc1N1C[C@@H]2[C@@H](N)CS(=O)(=O)[C@@H]2C1 ZINC001574952672 1271684023 /nfs/dbraw/zinc/68/40/23/1271684023.db2.gz VOBVBRBDBQCADE-HZSPNIEDSA-N 0 3 351.476 0.682 20 30 FCEDHN C=C(Cl)CN[C@@]1(CO)CCCN(C(=O)[C@H](C)OCc2c[nH]nn2)C1 ZINC001575058393 1271704683 /nfs/dbraw/zinc/70/46/83/1271704683.db2.gz ABALOAPIQAXFPG-WFASDCNBSA-N 0 3 357.842 0.405 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)NC1(CCOC)CCN(CCc2cn[nH]n2)CC1 ZINC001575074399 1271710733 /nfs/dbraw/zinc/71/07/33/1271710733.db2.gz WBRWSVVNKPMJIX-QGZVFWFLSA-N 0 3 365.478 0.662 20 30 FCEDHN C=CCNC(=O)NC(C)(C)C(=O)NC[C@H]1CCCN1CCc1cn[nH]n1 ZINC001575108031 1271721440 /nfs/dbraw/zinc/72/14/40/1271721440.db2.gz DJIZMUCLDNMEIE-CQSZACIVSA-N 0 3 363.466 0.192 20 30 FCEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)Cc1ccccc1-c1c[nH]nn1 ZINC001575104321 1271721926 /nfs/dbraw/zinc/72/19/26/1271721926.db2.gz PAHXXQPJLRQNJI-ZDUSSCGKSA-N 0 3 356.430 0.411 20 30 FCEDHN CC#CCCCC(=O)N1CC[C@H](N(C)[C@@H](C)C(=O)NCc2c[nH]nn2)C1 ZINC001575117592 1271730635 /nfs/dbraw/zinc/73/06/35/1271730635.db2.gz OZUGJKYDLBOTBL-HOCLYGCPSA-N 0 3 360.462 0.536 20 30 FCEDHN CC#CCN1CCC(N(Cc2cn[nH]n2)C(=O)[C@@H]2C[C@H]2C(=O)OC)CC1 ZINC001575123157 1271734446 /nfs/dbraw/zinc/73/44/46/1271734446.db2.gz OGJFYXITGLYOET-HZPDHXFCSA-N 0 3 359.430 0.430 20 30 FCEDHN C[C@@H](C(=O)NCc1c[nH]nn1)N1CCC[C@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001575225267 1271827353 /nfs/dbraw/zinc/82/73/53/1271827353.db2.gz VRIOGRMNBSWTJS-LSDHHAIUSA-N 0 3 374.489 0.687 20 30 FCEDHN C[C@H](OCc1cn[nH]n1)C(=O)N(C)C[C@H](O)CNCC#Cc1ccccc1 ZINC001575720696 1272376766 /nfs/dbraw/zinc/37/67/66/1272376766.db2.gz VIJHIKWRSXFYGM-MAUKXSAKSA-N 0 3 371.441 0.170 20 30 FCEDHN C[C@H](OCc1c[nH]nn1)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001575874510 1272540771 /nfs/dbraw/zinc/54/07/71/1272540771.db2.gz AENMRXYJQYWNJE-XJKSGUPXSA-N 0 3 354.414 0.972 20 30 FCEDHN C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH2+]2)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001575922346 1272562699 /nfs/dbraw/zinc/56/26/99/1272562699.db2.gz KHIYFFXUGGTEDM-XCCSTKFXSA-N 0 3 362.455 0.513 20 30 FCEDHN COCC#CCN1CC[C@H](NC(=O)c2ccc(-c3cn[nH]n3)cc2)[C@H](O)C1 ZINC001576951671 1273971068 /nfs/dbraw/zinc/97/10/68/1273971068.db2.gz CDUWLLOCHSMSCX-FUHWJXTLSA-N 0 3 369.425 0.287 20 30 FCEDHN N#Cc1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCOCc2cn[nH]n2)cc1 ZINC001577714952 1274774488 /nfs/dbraw/zinc/77/44/88/1274774488.db2.gz CZUFFAMMNOHRLN-DZFIZOCASA-N 0 3 366.425 0.830 20 30 FCEDHN CN(C[C@@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)C(=O)C#CC1CC1 ZINC001579040106 1276626981 /nfs/dbraw/zinc/62/69/81/1276626981.db2.gz DBGSMINHFWYJAK-HNNXBMFYSA-N 0 3 354.414 0.189 20 30 FCEDHN CN(C[C@@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)C(=O)C#CC1CC1 ZINC001579040106 1276626990 /nfs/dbraw/zinc/62/69/90/1276626990.db2.gz DBGSMINHFWYJAK-HNNXBMFYSA-N 0 3 354.414 0.189 20 30 FCEDHN COC(=O)[C@@H]1CC[C@@H]1NC(=O)C(C#N)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001579468098 1277367528 /nfs/dbraw/zinc/36/75/28/1277367528.db2.gz WQKIANHGZLTBDO-MCIONIFRSA-N 0 3 354.370 0.617 20 30 FCEDHN COCC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001579618445 1277665339 /nfs/dbraw/zinc/66/53/39/1277665339.db2.gz KLLMIGYCZCSVHV-TZMCWYRMSA-N 0 3 357.418 0.333 20 30 FCEDHN COCC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579618445 1277665345 /nfs/dbraw/zinc/66/53/45/1277665345.db2.gz KLLMIGYCZCSVHV-TZMCWYRMSA-N 0 3 357.418 0.333 20 30 FCEDHN COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)C#N)cc1-c1nnn[n-]1 ZINC001580021105 1277992007 /nfs/dbraw/zinc/99/20/07/1277992007.db2.gz BBESYAHRTRBDLV-NEPJUHHUSA-N 0 3 357.418 0.971 20 30 FCEDHN COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)C#N)cc1-c1nn[n-]n1 ZINC001580021105 1277992009 /nfs/dbraw/zinc/99/20/09/1277992009.db2.gz BBESYAHRTRBDLV-NEPJUHHUSA-N 0 3 357.418 0.971 20 30 FCEDHN COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)C#N)cc1-c1nnn[n-]1 ZINC001580021107 1277992049 /nfs/dbraw/zinc/99/20/49/1277992049.db2.gz BBESYAHRTRBDLV-RYUDHWBXSA-N 0 3 357.418 0.971 20 30 FCEDHN COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)C#N)cc1-c1nn[n-]n1 ZINC001580021107 1277992050 /nfs/dbraw/zinc/99/20/50/1277992050.db2.gz BBESYAHRTRBDLV-RYUDHWBXSA-N 0 3 357.418 0.971 20 30 FCEDHN N#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4-c4nnn[n-]4)C[C@H]32)[nH]1 ZINC001581869109 1280625915 /nfs/dbraw/zinc/62/59/15/1280625915.db2.gz JAJWUSNGHHLBMW-QLPKVWCKSA-N 0 3 374.408 0.927 20 30 FCEDHN N#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4-c4nnn[n-]4)C[C@H]32)[nH]1 ZINC001581869109 1280625917 /nfs/dbraw/zinc/62/59/17/1280625917.db2.gz JAJWUSNGHHLBMW-QLPKVWCKSA-N 0 3 374.408 0.927 20 30 FCEDHN N#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4-c4nn[n-]n4)C[C@H]32)[nH]1 ZINC001581869109 1280625919 /nfs/dbraw/zinc/62/59/19/1280625919.db2.gz JAJWUSNGHHLBMW-QLPKVWCKSA-N 0 3 374.408 0.927 20 30 FCEDHN N#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4-c4nn[n-]n4)C[C@H]32)[nH]1 ZINC001581869109 1280625920 /nfs/dbraw/zinc/62/59/20/1280625920.db2.gz JAJWUSNGHHLBMW-QLPKVWCKSA-N 0 3 374.408 0.927 20 30 FCEDHN C#C[C@@H]([NH2+]C[C@H](O)COc1ccccc1-c1nnn[n-]1)C1CCOCC1 ZINC001588328564 1282421815 /nfs/dbraw/zinc/42/18/15/1282421815.db2.gz KPNONDGZIUIXQI-GOEBONIOSA-N 0 3 357.414 0.624 20 30 FCEDHN C#C[C@@H]([NH2+]C[C@H](O)COc1ccccc1-c1nn[n-]n1)C1CCOCC1 ZINC001588328564 1282421819 /nfs/dbraw/zinc/42/18/19/1282421819.db2.gz KPNONDGZIUIXQI-GOEBONIOSA-N 0 3 357.414 0.624 20 30 FCEDHN C#CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CC2 ZINC001588354056 1282449469 /nfs/dbraw/zinc/44/94/69/1282449469.db2.gz OBRCMCDRLTUUIP-CQSZACIVSA-N 0 3 369.429 0.429 20 30 FCEDHN C#CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CC2 ZINC001588354056 1282449472 /nfs/dbraw/zinc/44/94/72/1282449472.db2.gz OBRCMCDRLTUUIP-CQSZACIVSA-N 0 3 369.429 0.429 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001588356335 1282459627 /nfs/dbraw/zinc/45/96/27/1282459627.db2.gz WEHJPARVVVOUBK-QWHCGFSZSA-N 0 3 374.420 0.886 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001588356335 1282459631 /nfs/dbraw/zinc/45/96/31/1282459631.db2.gz WEHJPARVVVOUBK-QWHCGFSZSA-N 0 3 374.420 0.886 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N[C@@H](C)CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001588356740 1282460829 /nfs/dbraw/zinc/46/08/29/1282460829.db2.gz FQCVNVWCWDPQJO-RYUDHWBXSA-N 0 3 360.393 0.638 20 30 FCEDHN C#CCO[C@H](C)C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588357878 1282467094 /nfs/dbraw/zinc/46/70/94/1282467094.db2.gz ODHKJAPIRAVEQE-CHWSQXEVSA-N 0 3 374.420 0.981 20 30 FCEDHN C#CCO[C@H](C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588358085 1282468907 /nfs/dbraw/zinc/46/89/07/1282468907.db2.gz PDRPGJPGBKGIQA-ZIAGYGMSSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N(C)CCC[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588359183 1282472132 /nfs/dbraw/zinc/47/21/32/1282472132.db2.gz ZCVFSTZNCLOQRH-AWEZNQCLSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N(C)CCC[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001588359183 1282472135 /nfs/dbraw/zinc/47/21/35/1282472135.db2.gz ZCVFSTZNCLOQRH-AWEZNQCLSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001588360310 1282478412 /nfs/dbraw/zinc/47/84/12/1282478412.db2.gz NOPUHNIIKPCENC-MRVWCRGKSA-N 0 3 372.404 0.781 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001588360310 1282478418 /nfs/dbraw/zinc/47/84/18/1282478418.db2.gz NOPUHNIIKPCENC-MRVWCRGKSA-N 0 3 372.404 0.781 20 30 FCEDHN C#CCOCCC(=O)NC[C@H]1CC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588361044 1282480298 /nfs/dbraw/zinc/48/02/98/1282480298.db2.gz BXQUUAVNSYSJLP-MRXNPFEDSA-N 0 3 368.441 0.845 20 30 FCEDHN C#CCOCCC(=O)NC[C@H]1CC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588361044 1282480304 /nfs/dbraw/zinc/48/03/04/1282480304.db2.gz BXQUUAVNSYSJLP-MRXNPFEDSA-N 0 3 368.441 0.845 20 30 FCEDHN C#CCOCCC(=O)NC[C@H]1CC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001588361044 1282480310 /nfs/dbraw/zinc/48/03/10/1282480310.db2.gz BXQUUAVNSYSJLP-MRXNPFEDSA-N 0 3 368.441 0.845 20 30 FCEDHN C#CCOCCC(=O)NC[C@H]1CC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001588361044 1282480312 /nfs/dbraw/zinc/48/03/12/1282480312.db2.gz BXQUUAVNSYSJLP-MRXNPFEDSA-N 0 3 368.441 0.845 20 30 FCEDHN C#CCOCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588362395 1282486288 /nfs/dbraw/zinc/48/62/88/1282486288.db2.gz DGHJHJSIVWYBAN-SHTZXODSSA-N 0 3 354.414 0.643 20 30 FCEDHN C#CCOCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001588362395 1282486291 /nfs/dbraw/zinc/48/62/91/1282486291.db2.gz DGHJHJSIVWYBAN-SHTZXODSSA-N 0 3 354.414 0.643 20 30 FCEDHN C=C(C)C[C@@H](CO)NCCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC001588404172 1282500446 /nfs/dbraw/zinc/50/04/46/1282500446.db2.gz DSLCXDNXRVAYOU-ZDUSSCGKSA-N 0 3 351.432 0.557 20 30 FCEDHN C=CC(C)(C)C(=O)NCCN1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001588478046 1282516402 /nfs/dbraw/zinc/51/64/02/1282516402.db2.gz RITLKATXEXJHRN-UHFFFAOYSA-N 0 3 370.461 0.712 20 30 FCEDHN C=CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588603793 1282581058 /nfs/dbraw/zinc/58/10/58/1282581058.db2.gz WAPSVLRDNSOEJW-AWEZNQCLSA-N 0 3 359.434 0.670 20 30 FCEDHN C=CCC[N@H+](CCO)[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588603793 1282581069 /nfs/dbraw/zinc/58/10/69/1282581069.db2.gz WAPSVLRDNSOEJW-AWEZNQCLSA-N 0 3 359.434 0.670 20 30 FCEDHN C=CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588603793 1282581082 /nfs/dbraw/zinc/58/10/82/1282581082.db2.gz WAPSVLRDNSOEJW-AWEZNQCLSA-N 0 3 359.434 0.670 20 30 FCEDHN C=CCC[N@H+](CCO)[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588603793 1282581094 /nfs/dbraw/zinc/58/10/94/1282581094.db2.gz WAPSVLRDNSOEJW-AWEZNQCLSA-N 0 3 359.434 0.670 20 30 FCEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC001588639030 1282606854 /nfs/dbraw/zinc/60/68/54/1282606854.db2.gz MOBOFWSJFPVZHB-UHFFFAOYSA-N 0 3 357.418 0.235 20 30 FCEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC001588639030 1282606865 /nfs/dbraw/zinc/60/68/65/1282606865.db2.gz MOBOFWSJFPVZHB-UHFFFAOYSA-N 0 3 357.418 0.235 20 30 FCEDHN C=CCNC(=O)C[NH2+]C1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCC1 ZINC001588659051 1282611081 /nfs/dbraw/zinc/61/10/81/1282611081.db2.gz HEDNWPMNOKXCHH-UHFFFAOYSA-N 0 3 372.433 0.129 20 30 FCEDHN C=CCOCC[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1C ZINC001588683440 1282645184 /nfs/dbraw/zinc/64/51/84/1282645184.db2.gz SGJMSOGMBFXZTO-QWHCGFSZSA-N 0 3 359.434 0.838 20 30 FCEDHN C=CCOCC[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C ZINC001588683440 1282645199 /nfs/dbraw/zinc/64/51/99/1282645199.db2.gz SGJMSOGMBFXZTO-QWHCGFSZSA-N 0 3 359.434 0.838 20 30 FCEDHN C=CCOCC[NH2+]C[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588683323 1282645819 /nfs/dbraw/zinc/64/58/19/1282645819.db2.gz RBKZSEJVSJMTAH-CYBMUJFWSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[NH2+]C[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588683323 1282645835 /nfs/dbraw/zinc/64/58/35/1282645835.db2.gz RBKZSEJVSJMTAH-CYBMUJFWSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC001588682785 1282646655 /nfs/dbraw/zinc/64/66/55/1282646655.db2.gz JONAKRMBYXINFA-GXTWGEPZSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC001588682785 1282646670 /nfs/dbraw/zinc/64/66/70/1282646670.db2.gz JONAKRMBYXINFA-GXTWGEPZSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001588683523 1282648722 /nfs/dbraw/zinc/64/87/22/1282648722.db2.gz WXXVHNPJTGNVHR-TZMCWYRMSA-N 0 3 359.434 0.886 20 30 FCEDHN C=CCOCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001588683523 1282648736 /nfs/dbraw/zinc/64/87/36/1282648736.db2.gz WXXVHNPJTGNVHR-TZMCWYRMSA-N 0 3 359.434 0.886 20 30 FCEDHN CC(C)(C)C#CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001589068227 1282791750 /nfs/dbraw/zinc/79/17/50/1282791750.db2.gz MXFJTESARHIYCL-CYBMUJFWSA-N 0 3 374.420 0.622 20 30 FCEDHN CC(C)(C)C#CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001589068227 1282791759 /nfs/dbraw/zinc/79/17/59/1282791759.db2.gz MXFJTESARHIYCL-CYBMUJFWSA-N 0 3 374.420 0.622 20 30 FCEDHN CC(C)C#CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589380472 1282857528 /nfs/dbraw/zinc/85/75/28/1282857528.db2.gz YPJPFWYTPCWRQG-AWEZNQCLSA-N 0 3 374.420 0.574 20 30 FCEDHN COC(=O)[C@]1(F)CCN(C(=O)C(C#N)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591241631 1284387729 /nfs/dbraw/zinc/38/77/29/1284387729.db2.gz AKZIHYZFWRJEQQ-DYVFJYSZSA-N 0 3 372.360 0.663 20 30 FCEDHN COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001591361121 1284495700 /nfs/dbraw/zinc/49/57/00/1284495700.db2.gz JOCKFMLIYZXQRX-QGZVFWFLSA-N 0 3 357.418 0.286 20 30 FCEDHN COCC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1(C)C ZINC001591361154 1284498289 /nfs/dbraw/zinc/49/82/89/1284498289.db2.gz KCTVUDFHOBNVHU-CQSZACIVSA-N 0 3 357.418 0.285 20 30 FCEDHN N#CCCC[C@@H]([NH3+])C(=O)N1CCN(c2ccsc2-c2nnn[n-]2)CC1 ZINC001592674661 1285569609 /nfs/dbraw/zinc/56/96/09/1285569609.db2.gz IEFKJTMEEIAXAV-LLVKDONJSA-N 0 3 360.447 0.598 20 30 FCEDHN N#CCCC[C@@H]([NH3+])C(=O)N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001592674661 1285569615 /nfs/dbraw/zinc/56/96/15/1285569615.db2.gz IEFKJTMEEIAXAV-LLVKDONJSA-N 0 3 360.447 0.598 20 30 FCEDHN C#CCNC(=O)CC[NH2+]C1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC001602722385 1287076263 /nfs/dbraw/zinc/07/62/63/1287076263.db2.gz PENZOWICUQZGJX-UHFFFAOYSA-N 0 3 353.430 0.565 20 30 FCEDHN C#CCNC(=O)CC[NH2+]C1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC001602722385 1287076271 /nfs/dbraw/zinc/07/62/71/1287076271.db2.gz PENZOWICUQZGJX-UHFFFAOYSA-N 0 3 353.430 0.565 20 30 FCEDHN C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC1 ZINC001602721761 1287078255 /nfs/dbraw/zinc/07/82/55/1287078255.db2.gz VLOWUGWWDHDCCH-CYBMUJFWSA-N 0 3 369.429 0.429 20 30 FCEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)N[C@H](C)C[NH2+]C ZINC001602853806 1287137895 /nfs/dbraw/zinc/13/78/95/1287137895.db2.gz IVQJOUVHRRQSEA-GFCCVEGCSA-N 0 3 357.418 0.105 20 30 FCEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)N[C@H](C)C[NH2+]C ZINC001602853806 1287137901 /nfs/dbraw/zinc/13/79/01/1287137901.db2.gz IVQJOUVHRRQSEA-GFCCVEGCSA-N 0 3 357.418 0.105 20 30 FCEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC001602853531 1287138153 /nfs/dbraw/zinc/13/81/53/1287138153.db2.gz CKDDRDWMCGLBBG-UHFFFAOYSA-N 0 3 371.445 0.625 20 30 FCEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC001602853531 1287138156 /nfs/dbraw/zinc/13/81/56/1287138156.db2.gz CKDDRDWMCGLBBG-UHFFFAOYSA-N 0 3 371.445 0.625 20 30 FCEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC001602853807 1287138865 /nfs/dbraw/zinc/13/88/65/1287138865.db2.gz IVQJOUVHRRQSEA-LBPRGKRZSA-N 0 3 357.418 0.105 20 30 FCEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC001602853807 1287138870 /nfs/dbraw/zinc/13/88/70/1287138870.db2.gz IVQJOUVHRRQSEA-LBPRGKRZSA-N 0 3 357.418 0.105 20 30 FCEDHN COCCN(CCC#N)c1nnc(C)n1CCN1CCN(C)C(C)(C)C1 ZINC001730759990 1288542820 /nfs/dbraw/zinc/54/28/20/1288542820.db2.gz JUJJEGTUJWHHPV-UHFFFAOYSA-N 0 3 363.510 0.979 20 30 FCEDHN N#Cc1cccc(-c2nnn[n-]2)c1NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001609499957 1289181825 /nfs/dbraw/zinc/18/18/25/1289181825.db2.gz RKHHCHZLAOXPFO-CYBMUJFWSA-N 0 3 354.418 0.738 20 30 FCEDHN N#Cc1cccc(-c2nnn[n-]2)c1NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001609499957 1289181828 /nfs/dbraw/zinc/18/18/28/1289181828.db2.gz RKHHCHZLAOXPFO-CYBMUJFWSA-N 0 3 354.418 0.738 20 30 FCEDHN N#Cc1cccc(-c2nn[n-]n2)c1NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001609499957 1289181833 /nfs/dbraw/zinc/18/18/33/1289181833.db2.gz RKHHCHZLAOXPFO-CYBMUJFWSA-N 0 3 354.418 0.738 20 30 FCEDHN N#Cc1cccc(-c2nn[n-]n2)c1NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001609499957 1289181836 /nfs/dbraw/zinc/18/18/36/1289181836.db2.gz RKHHCHZLAOXPFO-CYBMUJFWSA-N 0 3 354.418 0.738 20 30 FCEDHN COCC#CCNC[C@@H]1C[C@H](C)CCN1C(=O)CCCS(C)(=O)=O ZINC001692090172 1289397019 /nfs/dbraw/zinc/39/70/19/1289397019.db2.gz PKZXHDHJLBJBGB-CVEARBPZSA-N 0 3 358.504 0.678 20 30 FCEDHN C#CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1ccc(C#C)nc1 ZINC001692097415 1289398506 /nfs/dbraw/zinc/39/85/06/1289398506.db2.gz KTOKOXKWHZGKQM-QAPCUYQASA-N 0 3 352.438 0.643 20 30 FCEDHN CCC(=O)N1CC[C@@H](C(=O)N2C[C@H]3CCN(CC#CCOC)C[C@H]3C2)C1 ZINC001692287040 1289444424 /nfs/dbraw/zinc/44/44/24/1289444424.db2.gz XZYVKFLGLVNIQT-KURKYZTESA-N 0 3 361.486 0.675 20 30 FCEDHN C#CCN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CCN([C@@H](C)C(=O)N(C)C)CC1 ZINC001699780689 1289565456 /nfs/dbraw/zinc/56/54/56/1289565456.db2.gz BBBQMVFEXQWKLH-USXIJHARSA-N 0 3 371.485 0.916 20 30 FCEDHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2cnc(OC)c(C#N)c2)CC1 ZINC001627431368 1290462706 /nfs/dbraw/zinc/46/27/06/1290462706.db2.gz GABJCZWBYBOSFP-UHFFFAOYSA-N 0 3 374.445 0.980 20 30 FCEDHN CC#CCNCCNC(=O)[C@H]1CCCN(C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001752926395 1290616260 /nfs/dbraw/zinc/61/62/60/1290616260.db2.gz PSFXGFUOXCJVML-QKLQHJQFSA-N 0 3 361.486 0.913 20 30 FCEDHN C=CCNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001754225725 1290626280 /nfs/dbraw/zinc/62/62/80/1290626280.db2.gz IRRHQMWIZICAQO-VHDGCEQUSA-N 0 3 359.430 0.291 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC/C=C/CN[C@H](C)C(=O)NC(=O)NC1CC1 ZINC001754183684 1290626877 /nfs/dbraw/zinc/62/68/77/1290626877.db2.gz ODNZEWCLERIPDD-YAPQCCHZSA-N 0 3 364.446 0.216 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)COCCC=C)C[C@H]2C)CC1 ZINC001757078066 1290711116 /nfs/dbraw/zinc/71/11/16/1290711116.db2.gz IWRGLDGHTDVFSR-SJLPKXTDSA-N 0 3 361.486 0.887 20 30 FCEDHN C#CCN1CCC(C(=O)NC[C@@H](C)CNC(=O)[C@H]2OCCO[C@H]2C)CC1 ZINC001688877268 1294544477 /nfs/dbraw/zinc/54/44/77/1294544477.db2.gz JSIHKRRCUGMMRC-VYDXJSESSA-N 0 3 365.474 0.004 20 30 FCEDHN C=CCNC(=O)[C@@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)CNC(=O)CC ZINC001689083622 1294602257 /nfs/dbraw/zinc/60/22/57/1294602257.db2.gz NHEVYPSXRGIQPG-KFWWJZLASA-N 0 3 352.479 0.420 20 30 FCEDHN C=CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)C[C@H]1CCCC(=O)N1 ZINC001689094411 1294611276 /nfs/dbraw/zinc/61/12/76/1294611276.db2.gz OZQHJJAAPNKCHV-OAGGEKHMSA-N 0 3 364.490 0.564 20 30 FCEDHN C#CCNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)CCc3c[nH]cn3)C[C@@H]2C1 ZINC001689222858 1294679325 /nfs/dbraw/zinc/67/93/25/1294679325.db2.gz YDILLVVAODOZSQ-XHSDSOJGSA-N 0 3 357.458 0.261 20 30 FCEDHN C#CCNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)CCc3cnc[nH]3)C[C@@H]2C1 ZINC001689222858 1294679332 /nfs/dbraw/zinc/67/93/32/1294679332.db2.gz YDILLVVAODOZSQ-XHSDSOJGSA-N 0 3 357.458 0.261 20 30 FCEDHN C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCN1CCCCC1 ZINC001689998606 1294850890 /nfs/dbraw/zinc/85/08/90/1294850890.db2.gz QRZKNNJTNGYXAC-UHFFFAOYSA-N 0 3 356.474 0.975 20 30 FCEDHN CCN(CCC#N)C(=O)CN1CC[C@H](NC(=O)CN(C)C2CCC2)[C@H]1C ZINC001691688889 1294914209 /nfs/dbraw/zinc/91/42/09/1294914209.db2.gz LWCGHZVORWJDJG-WBVHZDCISA-N 0 3 363.506 0.812 20 30 FCEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)COCc2nncn2C)C1 ZINC001691843966 1294937993 /nfs/dbraw/zinc/93/79/93/1294937993.db2.gz AXTNFLAGJUZIAG-ZWKOTPCHSA-N 0 3 367.453 0.939 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCCC2)C[C@@H]1n1ccnn1 ZINC001070293916 837644056 /nfs/dbraw/zinc/64/40/56/837644056.db2.gz BCILESHPMJNLAP-KGLIPLIRSA-N 0 3 367.475 0.163 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)o2)C[C@@H]1n1ccnn1 ZINC001070290569 837643708 /nfs/dbraw/zinc/64/37/08/837643708.db2.gz CZVKJPPDUVUBPQ-NEPJUHHUSA-N 0 3 365.415 0.116 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cc(C(F)(F)F)n[nH]2)C[C@@H]1n1ccnn1 ZINC001070295079 837644041 /nfs/dbraw/zinc/64/40/41/837644041.db2.gz LFIDHRXLWVVWMQ-MNOVXSKESA-N 0 3 355.324 0.861 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1c1cn(C)cn1 ZINC001070510642 837656385 /nfs/dbraw/zinc/65/63/85/837656385.db2.gz MAYZLACWKXDDOV-IJEWVQPXSA-N 0 3 366.487 0.315 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1c1cncn1C ZINC001070697603 837673834 /nfs/dbraw/zinc/67/38/34/837673834.db2.gz LVXAHEDQHZNFDS-CHWSQXEVSA-N 0 3 354.476 0.313 20 30 FCEDHN C=C(Cl)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)CCn2cnnn2)CC1 ZINC001071095959 837733140 /nfs/dbraw/zinc/73/31/40/837733140.db2.gz ZBJGWTUEBYUVPJ-ZBFHGGJFSA-N 0 3 368.869 0.801 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C[C@H]1C(F)(F)F ZINC001099322151 844022259 /nfs/dbraw/zinc/02/22/59/844022259.db2.gz TZPHWZOTFVWWIG-MXWKQRLJSA-N 0 3 355.382 0.185 20 30 FCEDHN C=CCN1CC[C@@H](N2C[C@@H]3CCN(C(=O)c4csc(=O)[nH]4)[C@@H]3C2)C1=O ZINC001076154994 837963212 /nfs/dbraw/zinc/96/32/12/837963212.db2.gz KJZKXCYFRDKTFD-IACUBPJLSA-N 0 3 362.455 0.782 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)CCCC(=O)NC)[C@H](C)C1 ZINC001101901073 844315846 /nfs/dbraw/zinc/31/58/46/844315846.db2.gz JOZBXQQMNZEZPP-RBSFLKMASA-N 0 3 352.479 0.278 20 30 FCEDHN C=C(C)CCN1CCC2(CN(C(=O)CS(C)(=O)=O)[C@@H]3COC[C@@H]32)CC1 ZINC001079227426 839496240 /nfs/dbraw/zinc/49/62/40/839496240.db2.gz SVTMVDCPZRDHJE-JKSUJKDBSA-N 0 3 370.515 0.937 20 30 FCEDHN C=C(Cl)CN1C[C@@H](CNC(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)[C@H](C)C1 ZINC001102314515 844464673 /nfs/dbraw/zinc/46/46/73/844464673.db2.gz MSRFZDXTRGDNLB-XFJVYGCCSA-N 0 3 367.881 0.894 20 30 FCEDHN C=C(Cl)CN1C[C@@H](CNC(=O)[C@H](Cc2cnc[nH]2)NC(C)=O)[C@H](C)C1 ZINC001102314515 844464676 /nfs/dbraw/zinc/46/46/76/844464676.db2.gz MSRFZDXTRGDNLB-XFJVYGCCSA-N 0 3 367.881 0.894 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@H]1c1ccccc1 ZINC001081123520 839880220 /nfs/dbraw/zinc/88/02/20/839880220.db2.gz YZQBEEFRZJVGDN-DLBZAZTESA-N 0 3 361.467 0.239 20 30 FCEDHN C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)c3cc(OC)ns3)C[C@H]2C)C1=O ZINC001082519383 840446832 /nfs/dbraw/zinc/44/68/32/840446832.db2.gz HSEZZNLVSIRVBS-JHJVBQTASA-N 0 3 364.471 0.989 20 30 FCEDHN C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)c3cnn(C)c3Cl)C[C@H]2C)C1=O ZINC001082596591 840481754 /nfs/dbraw/zinc/48/17/54/840481754.db2.gz QTTLMSMAFIXESU-MRVWCRGKSA-N 0 3 365.865 0.911 20 30 FCEDHN C[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1NCc1ccc(C#N)s1 ZINC001082652784 840511725 /nfs/dbraw/zinc/51/17/25/840511725.db2.gz WFTTUBYYGNWQQO-BXUZGUMPSA-N 0 3 357.439 0.964 20 30 FCEDHN C=CCN1CC[C@H](N[C@@H]2CN(C(=O)c3csc(=O)[nH]3)C[C@H]2C)C1=O ZINC001082695992 840527893 /nfs/dbraw/zinc/52/78/93/840527893.db2.gz DRYKAOKCJSFZPP-GRYCIOLGSA-N 0 3 350.444 0.686 20 30 FCEDHN C=CCN1CC[C@H](N2C[C@@H](CNC(=O)CCCC(N)=O)[C@H](C)C2)C1=O ZINC001102614971 844602719 /nfs/dbraw/zinc/60/27/19/844602719.db2.gz GYPKZSRWCQTJSD-KFWWJZLASA-N 0 3 350.463 0.113 20 30 FCEDHN CCOCC(=O)NCC[C@@H]1CN(CC(=O)N(CC)CCC#N)C[C@H]1C ZINC001102646808 844617335 /nfs/dbraw/zinc/61/73/35/844617335.db2.gz HLWJENTUBNYATQ-HZPDHXFCSA-N 0 3 352.479 0.859 20 30 FCEDHN C=CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CCSC)C1 ZINC001102653634 844621305 /nfs/dbraw/zinc/62/13/05/844621305.db2.gz XXKRTLVLPOZWEB-ZIAGYGMSSA-N 0 3 370.519 0.826 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(CCc3ccns3)C[C@@H]2O)CC1 ZINC001084090426 841697757 /nfs/dbraw/zinc/69/77/57/841697757.db2.gz ZDSCVDANYCKYLQ-SJORKVTESA-N 0 3 362.499 0.192 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cc(C(N)=O)cs2)C[C@H]1c1cnn(C)c1 ZINC001087011373 842211445 /nfs/dbraw/zinc/21/14/45/842211445.db2.gz SZVOIPMGRFFFOO-UONOGXRCSA-N 0 3 357.439 0.412 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2csc(COC)n2)C[C@H]1c1cnn(C)c1 ZINC001087011953 842211731 /nfs/dbraw/zinc/21/17/31/842211731.db2.gz YXMUULGXSARNSV-UONOGXRCSA-N 0 3 359.455 0.854 20 30 FCEDHN C#CCCN1C[C@@H](NC(=O)[C@H]2OCCO[C@H]2C)CC2(CCOCC2)C1 ZINC001089944866 842776297 /nfs/dbraw/zinc/77/62/97/842776297.db2.gz HXKKUZJFRFOPAK-ULQDDVLXSA-N 0 3 350.459 0.801 20 30 FCEDHN CC(C)N(C)CC(=O)N[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1O ZINC001090440563 842812491 /nfs/dbraw/zinc/81/24/91/842812491.db2.gz ZULULKYWEOZKAF-ZIAGYGMSSA-N 0 3 351.838 0.613 20 30 FCEDHN CC[C@H](C(=O)N[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1O)N(C)C ZINC001090454792 842818703 /nfs/dbraw/zinc/81/87/03/842818703.db2.gz KDXFEUVWWRJFLJ-MGPQQGTHSA-N 0 3 351.838 0.613 20 30 FCEDHN Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c1C#N ZINC001090460017 842820610 /nfs/dbraw/zinc/82/06/10/842820610.db2.gz PQXIDNVBLNUBPW-MGPQQGTHSA-N 0 3 351.476 0.575 20 30 FCEDHN CC[C@H](C(=O)N[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@@H]1O)N(C)C ZINC001091122598 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NVWZYQHBUSZJTA-OWCLPIDISA-N 0 3 358.504 0.698 20 30 FCEDHN C#CCCCC(=O)NCC[C@@H]1CN(CCNS(=O)(=O)CC)C[C@H]1C ZINC001102917052 844667045 /nfs/dbraw/zinc/66/70/45/844667045.db2.gz KBGOQJJBAZJOGG-HZPDHXFCSA-N 0 3 357.520 0.803 20 30 FCEDHN C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)CCCOC)C1 ZINC001103622092 844787916 /nfs/dbraw/zinc/78/79/16/844787916.db2.gz PEDGNTIJRGVWBD-BRWVUGGUSA-N 0 3 351.491 0.873 20 30 FCEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001103705657 844803729 /nfs/dbraw/zinc/80/37/29/844803729.db2.gz GCNWNASBTQASKA-RTXFEEFZSA-N 0 3 356.854 0.801 20 30 FCEDHN C=C(Cl)CNCC[C@@H]1CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]1C ZINC001104724687 844935674 /nfs/dbraw/zinc/93/56/74/844935674.db2.gz AOYIJVIJSONDGY-KGYLQXTDSA-N 0 3 351.900 0.751 20 30 FCEDHN C=CC(C)(C)C(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC(=O)NC)C2)[C@H]1C(C)C ZINC001105647112 845008346 /nfs/dbraw/zinc/00/83/46/845008346.db2.gz PFMRGYATPBPREA-NPNMTCQASA-N 0 3 351.491 0.911 20 30 FCEDHN 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/nfs/dbraw/zinc/01/11/46/857011146.db2.gz PJOQPCAQYZTCSH-JHJVBQTASA-N 0 3 356.492 0.767 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC(F)(F)F ZINC001225185356 857027913 /nfs/dbraw/zinc/02/79/13/857027913.db2.gz FJIYTIKWJKARCH-GHMZBOCLSA-N 0 3 364.368 0.968 20 30 FCEDHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C#CC(C)(C)C ZINC001226134070 857085398 /nfs/dbraw/zinc/08/53/98/857085398.db2.gz QSJAFHHCXYADKI-ZIAGYGMSSA-N 0 3 350.463 0.899 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(OC)ns1 ZINC001226316187 857097251 /nfs/dbraw/zinc/09/72/51/857097251.db2.gz NICYYIQSLCFDAK-VXGBXAGGSA-N 0 3 350.444 0.532 20 30 FCEDHN Cn1cc(Cl)c(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)n1 ZINC001226426888 857104106 /nfs/dbraw/zinc/10/41/06/857104106.db2.gz BIQWUCMLQNWVOE-VXGBXAGGSA-N 0 3 352.826 0.344 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CCCC[C@H]1NC(=O)CCS(C)(=O)=O ZINC001227121803 857144176 /nfs/dbraw/zinc/14/41/76/857144176.db2.gz IEDFNPSJFWGMEV-BFHYXJOUSA-N 0 3 359.492 0.129 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnn(CCF)c1 ZINC001227211153 857148496 /nfs/dbraw/zinc/14/84/96/857148496.db2.gz AXJFFKWDCBKNKO-ZIAGYGMSSA-N 0 3 350.398 0.123 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1(CF)CCOCC1 ZINC001228602097 857218420 /nfs/dbraw/zinc/21/84/20/857218420.db2.gz CQGLOSCEVGMMPX-ZIAGYGMSSA-N 0 3 354.426 0.409 20 30 FCEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)CNS(=O)(=O)N(C)C ZINC001228843100 857232080 /nfs/dbraw/zinc/23/20/80/857232080.db2.gz PVRBKQYCFQLSJC-VXGBXAGGSA-N 0 3 352.888 0.152 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCCCO1 ZINC001228877858 857234102 /nfs/dbraw/zinc/23/41/02/857234102.db2.gz MLGSVLXILJGPKQ-ARFHVFGLSA-N 0 3 350.463 0.992 20 30 FCEDHN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC ZINC001228956058 857240244 /nfs/dbraw/zinc/24/02/44/857240244.db2.gz LGPRMRLKQZQRFR-BZUAXINKSA-N 0 3 352.479 0.610 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnn(C(F)F)c1 ZINC001229315522 857265015 /nfs/dbraw/zinc/26/50/15/857265015.db2.gz KGPVPCRQFZSVDQ-CHWSQXEVSA-N 0 3 353.373 0.658 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1(C(=O)N(C)C)CC1 ZINC001229632442 857279657 /nfs/dbraw/zinc/27/96/57/857279657.db2.gz BJGGZNDJQYCMEA-ZIAGYGMSSA-N 0 3 350.463 0.174 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN1C(C)=O ZINC001230304714 857324239 /nfs/dbraw/zinc/32/42/39/857324239.db2.gz NDJXKWNIMGFGPK-BZUAXINKSA-N 0 3 350.463 0.317 20 30 FCEDHN C[C@H](C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N)C1CCOCC1 ZINC001230388262 857332630 /nfs/dbraw/zinc/33/26/30/857332630.db2.gz TWUPKXVKBGODDK-NUEKZKHPSA-N 0 3 350.463 0.706 20 30 FCEDHN CC#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)[C@H]2CCN(C)[C@@H]2CC)C1 ZINC001230466913 857336671 /nfs/dbraw/zinc/33/66/71/857336671.db2.gz DDISHRVVKIWGKF-YESZJQIVSA-N 0 3 369.531 0.345 20 30 FCEDHN N#Cc1ccc(NS(=O)(=O)CCN)c(I)c1 ZINC001237701787 857457894 /nfs/dbraw/zinc/45/78/94/857457894.db2.gz VBHNDDMWXOWTAZ-UHFFFAOYSA-N 0 3 351.169 0.863 20 30 FCEDHN C=CCOC[C@H](O)CN1CC[C@H]2O[C@H](C(=O)N3CCCCO3)CC[C@H]21 ZINC001252460375 857811286 /nfs/dbraw/zinc/81/12/86/857811286.db2.gz BEMIPFBSLHLFBH-VQHPVUNQSA-N 0 3 354.447 0.726 20 30 FCEDHN C=CCOC[C@H](O)CN1C[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2C1 ZINC001252464265 857812839 /nfs/dbraw/zinc/81/28/39/857812839.db2.gz WVKZKDCMROWAOA-YESZJQIVSA-N 0 3 366.483 0.802 20 30 FCEDHN C=CCC[C@@H](O)CN1Cc2ccnn2C[C@@H](COCC(=O)N(C)C)C1 ZINC001252597087 857823516 /nfs/dbraw/zinc/82/35/16/857823516.db2.gz WSBIDVORTMRBPO-DOTOQJQBSA-N 0 3 350.463 0.747 20 30 FCEDHN C=CCN(CC=C)CCN1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC001259825744 858289280 /nfs/dbraw/zinc/28/92/80/858289280.db2.gz QNQPBAHHMCHLJU-UHFFFAOYSA-N 0 3 353.492 0.400 20 30 FCEDHN C=CCN(CC=C)CCN1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC001260546902 858383007 /nfs/dbraw/zinc/38/30/07/858383007.db2.gz FARFJWLVDPGYKJ-UHFFFAOYSA-N 0 3 367.519 0.709 20 30 FCEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCCNC(=O)C1)C(C)C ZINC001352422402 867132269 /nfs/dbraw/zinc/13/22/69/867132269.db2.gz KFILARUHYKONEK-OAHLLOKOSA-N 0 3 350.463 0.150 20 30 FCEDHN Cc1cc(=O)n2nc(CN(C)CCCc3[nH]nc(N)c3C#N)sc2n1 ZINC001323070963 869046365 /nfs/dbraw/zinc/04/63/65/869046365.db2.gz LSSOASPHHRPGLE-UHFFFAOYSA-N 0 3 358.431 0.701 20 30 FCEDHN N#CCCC[C@@H](N)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC001325763525 870025397 /nfs/dbraw/zinc/02/53/97/870025397.db2.gz JOZBJRZDYPGWCC-OAHLLOKOSA-N 0 3 350.444 0.864 20 30 FCEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CC(=O)N(C)C1)C(C)C ZINC001345073257 871176283 /nfs/dbraw/zinc/17/62/83/871176283.db2.gz OGLUOXWIGCYHQS-HUUCEWRRSA-N 0 3 350.463 0.148 20 30 FCEDHN C#C[C@H](C)NS(=O)(=O)CCCCS(=O)(=O)Nc1cc(C)nc(C)c1 ZINC001329220607 871895937 /nfs/dbraw/zinc/89/59/37/871895937.db2.gz SYAFEYAEMFPSHG-LBPRGKRZSA-N 0 3 373.500 0.583 20 30 FCEDHN CN1CCN(C2CCN(C(=O)C(=O)Nc3sccc3C#N)CC2)CC1 ZINC001330219900 872530734 /nfs/dbraw/zinc/53/07/34/872530734.db2.gz FKZJGTOGCUVXKA-UHFFFAOYSA-N 0 3 361.471 0.797 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)CC2 ZINC001573285320 946776415 /nfs/dbraw/zinc/77/64/15/946776415.db2.gz GQEBTVKVBWLMFN-AWEZNQCLSA-N 0 3 369.429 0.429 20 30 FCEDHN C#CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)CC2 ZINC001573285322 946776714 /nfs/dbraw/zinc/77/67/14/946776714.db2.gz GQEBTVKVBWLMFN-CQSZACIVSA-N 0 3 369.429 0.429 20 30 FCEDHN C#CCO[C@H](C)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573285757 946787902 /nfs/dbraw/zinc/78/79/02/946787902.db2.gz MYJHFFLGYIEZEE-QWHCGFSZSA-N 0 3 374.420 0.981 20 30 FCEDHN C=C(C)C[NH+]1CCC(NC(=O)CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573294196 946979442 /nfs/dbraw/zinc/97/94/42/946979442.db2.gz XZTAUDXOKFPRNW-UHFFFAOYSA-N 0 3 356.434 0.830 20 30 FCEDHN C=C(C)C[C@H](NC(C)=O)C(=O)NCC[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573298311 947075332 /nfs/dbraw/zinc/07/53/32/947075332.db2.gz CGHCQAALSFMDLS-INIZCTEOSA-N 0 3 371.445 0.543 20 30 FCEDHN C=C(C)C[C@H](NC(C)=O)C(=O)NCC[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573298311 947075338 /nfs/dbraw/zinc/07/53/38/947075338.db2.gz CGHCQAALSFMDLS-INIZCTEOSA-N 0 3 371.445 0.543 20 30 FCEDHN C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@@H]2C1 ZINC001573570673 947091639 /nfs/dbraw/zinc/09/16/39/947091639.db2.gz RRWOCKVVTRQSTC-WQVCFCJDSA-N 0 3 351.414 0.917 20 30 FCEDHN C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@@H]2C1 ZINC001573570673 947091650 /nfs/dbraw/zinc/09/16/50/947091650.db2.gz RRWOCKVVTRQSTC-WQVCFCJDSA-N 0 3 351.414 0.917 20 30 FCEDHN C=CCOCC[N@H+]1CC=C(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573347784 947576331 /nfs/dbraw/zinc/57/63/31/947576331.db2.gz HVQWXTPRXJYSOU-UHFFFAOYSA-N 0 3 357.418 0.759 20 30 FCEDHN C=CCOCC[N@@H+]1CC=C(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573347784 947576336 /nfs/dbraw/zinc/57/63/36/947576336.db2.gz HVQWXTPRXJYSOU-UHFFFAOYSA-N 0 3 357.418 0.759 20 30 FCEDHN CN(CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292085344 214075214 /nfs/dbraw/zinc/07/52/14/214075214.db2.gz DZCUVJPZVQDOQC-OAHLLOKOSA-N 0 3 350.444 0.853 20 30 FCEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC[C@H](n3cc(CO)nn3)C2)cc1 ZINC000293007576 214138568 /nfs/dbraw/zinc/13/85/68/214138568.db2.gz PKUNEKAUXJIDED-IRXDYDNUSA-N 0 3 357.414 0.719 20 30 FCEDHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000291293499 214024754 /nfs/dbraw/zinc/02/47/54/214024754.db2.gz MOEZBISBRFVOPJ-UHFFFAOYSA-N 0 3 361.421 0.732 20 30 FCEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000265824701 210227739 /nfs/dbraw/zinc/22/77/39/210227739.db2.gz NMTJUVNWNKJSIB-AWEZNQCLSA-N 0 3 357.458 0.805 20 30 FCEDHN CN(CCC#N)S(=O)(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000161124566 529869493 /nfs/dbraw/zinc/86/94/93/529869493.db2.gz QHFNEYYGYHYLSI-UHFFFAOYSA-N 0 3 366.487 0.823 20 30 FCEDHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1 ZINC000408458326 530061967 /nfs/dbraw/zinc/06/19/67/530061967.db2.gz FGDGCDOTBCIZQK-AWEZNQCLSA-N 0 3 356.492 0.494 20 30 FCEDHN C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000367028076 216066003 /nfs/dbraw/zinc/06/60/03/216066003.db2.gz HUKJIQCRHMJIIW-YJBOKZPZSA-N 0 3 369.469 0.981 20 30 FCEDHN N#Cc1ccc(CNC(=O)CN2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000367297071 216104945 /nfs/dbraw/zinc/10/49/45/216104945.db2.gz WGWXBVQZUXRXPJ-SFHVURJKSA-N 0 3 369.469 0.589 20 30 FCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H]([C@@H]4CCOC4)C3)CC2)o1 ZINC000374406143 217126526 /nfs/dbraw/zinc/12/65/26/217126526.db2.gz ZUQLSOUNLOKRBL-JKSUJKDBSA-N 0 3 373.457 0.862 20 30 FCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H]([C@@H]4CCOC4)C3)CC2)o1 ZINC000374406142 217126651 /nfs/dbraw/zinc/12/66/51/217126651.db2.gz ZUQLSOUNLOKRBL-HZPDHXFCSA-N 0 3 373.457 0.862 20 30 FCEDHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCCOc1ccc(C#N)cc1 ZINC000419469132 246173981 /nfs/dbraw/zinc/17/39/81/246173981.db2.gz WIHYRJYIBUNPTJ-IUODEOHRSA-N 0 3 360.414 0.282 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000419722625 246269916 /nfs/dbraw/zinc/26/99/16/246269916.db2.gz DZLPTDFHDCBIII-DZGCQCFKSA-N 0 3 352.479 0.372 20 30 FCEDHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000419957711 246387397 /nfs/dbraw/zinc/38/73/97/246387397.db2.gz PCNVKNAWPNGFSO-MSOLQXFVSA-N 0 3 371.485 0.713 20 30 FCEDHN N#C[C@@H]1CN(C(=O)C(=O)N2CCCNCC2)CCN1Cc1ccccc1 ZINC000423602341 247070402 /nfs/dbraw/zinc/07/04/02/247070402.db2.gz CYCMIGASGBHNKT-QGZVFWFLSA-N 0 3 355.442 0.045 20 30 FCEDHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)[C@H]1CN ZINC000423718307 247124200 /nfs/dbraw/zinc/12/42/00/247124200.db2.gz BQLRQKULRCJEJR-ZBFHGGJFSA-N 0 3 370.457 0.188 20 30 FCEDHN N#CCCC[C@@H](N)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000424072506 247166746 /nfs/dbraw/zinc/16/67/46/247166746.db2.gz YDCSCDNEGHWRJX-CQSZACIVSA-N 0 3 358.398 0.721 20 30 FCEDHN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)[C@H](N)CCCC#N)cn2)C[C@@H](C)O1 ZINC000424132640 247170954 /nfs/dbraw/zinc/17/09/54/247170954.db2.gz WMEKUIKMMFSTGO-UMVBOHGHSA-N 0 3 362.434 0.479 20 30 FCEDHN COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)[C@@H](N)CCCC#N)c1 ZINC000424156066 247172969 /nfs/dbraw/zinc/17/29/69/247172969.db2.gz QEBSCBDQLHFYCG-HNNXBMFYSA-N 0 3 373.417 0.659 20 30 FCEDHN N#CCCC[C@@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000424165822 247173702 /nfs/dbraw/zinc/17/37/02/247173702.db2.gz FJPNKVONJVMKQX-IAGOWNOFSA-N 0 3 358.442 0.594 20 30 FCEDHN C=CCN(Cc1ccccc1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424548394 247258833 /nfs/dbraw/zinc/25/88/33/247258833.db2.gz PUOXRHGHGNWKTP-ZWKOTPCHSA-N 0 3 367.453 0.888 20 30 FCEDHN COCCN(C)CCN1C[C@@H](NC(=O)[C@]2(C#N)CC23CCCC3)CC1=O ZINC000425326126 247325492 /nfs/dbraw/zinc/32/54/92/247325492.db2.gz YAYQRNOXNSFJMN-HNAYVOBHSA-N 0 3 362.474 0.756 20 30 FCEDHN C=CCOC[C@H](NC(=O)CC1(N2CCOCC2)CCCC1)C(=O)OC ZINC000435949471 248026259 /nfs/dbraw/zinc/02/62/59/248026259.db2.gz MGVJTQFMJRAQBY-HNNXBMFYSA-N 0 3 354.447 0.882 20 30 FCEDHN C=CCOC[C@@H](NC(=O)CC1(N2CCOCC2)CCCC1)C(=O)OC ZINC000435949472 248026790 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C[C@@](O)(CNC(=O)C(C#N)Cc1ccc(C#N)cc1)CN1CCOCC1 ZINC000472202614 250137278 /nfs/dbraw/zinc/13/72/78/250137278.db2.gz APGUWCDDRQMOKA-IEBWSBKVSA-N 0 3 356.426 0.440 20 30 FCEDHN COC(=O)c1cn(C2CN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)nn1 ZINC000472497844 250154473 /nfs/dbraw/zinc/15/44/73/250154473.db2.gz KFJDASPWMZVXCJ-CQSZACIVSA-N 0 3 364.365 0.702 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@H]2CCNC2=O)cc1 ZINC000480963869 250302482 /nfs/dbraw/zinc/30/24/82/250302482.db2.gz OTXRWRHWLFJIGD-GWCFXTLKSA-N 0 3 350.400 0.725 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)CS(C)(=O)=O)cc1 ZINC000481019560 250308555 /nfs/dbraw/zinc/30/85/55/250308555.db2.gz SZCLSYWQMLWTMK-MNOVXSKESA-N 0 3 373.456 0.927 20 30 FCEDHN CN(C)CCN1C[C@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1=O ZINC000073023797 208045724 /nfs/dbraw/zinc/04/57/24/208045724.db2.gz LZUYQDLISSJNGI-MRXNPFEDSA-N 0 3 370.457 0.012 20 30 FCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN(C)C[C@@H]3CCCOC3)CC2)o1 ZINC000107691209 208242911 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491971388 /nfs/dbraw/zinc/97/13/88/491971388.db2.gz VGOBPPPHLNEZTO-BRWVUGGUSA-N 0 3 363.506 0.527 20 30 FCEDHN C[C@H](CC1(C#N)CCOCC1)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000602591678 491993660 /nfs/dbraw/zinc/99/36/60/491993660.db2.gz BREOUFNDTVZPMA-IAGOWNOFSA-N 0 3 364.490 0.608 20 30 FCEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnn(C[C@@H](O)CO)c1 ZINC000596975374 492007883 /nfs/dbraw/zinc/00/78/83/492007883.db2.gz SANBHMILBMMBQP-GOSISDBHSA-N 0 3 371.441 0.312 20 30 FCEDHN C[C@@H](c1cccc(C#N)c1)n1cc(CNC(=O)CN2CCNCC2)nn1 ZINC000603237809 492020967 /nfs/dbraw/zinc/02/09/67/492020967.db2.gz YIWSAWCJWSNZTQ-AWEZNQCLSA-N 0 3 353.430 0.280 20 30 FCEDHN CN(CCNC(=O)C(=O)N1CCN(c2ccsc2C#N)CC1)C1CC1 ZINC000597219881 492023429 /nfs/dbraw/zinc/02/34/29/492023429.db2.gz UVUFPGYAOQDPCM-UHFFFAOYSA-N 0 3 361.471 0.479 20 30 FCEDHN N#CCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(C3CCCCC3)C2)CC1 ZINC000597258776 492025220 /nfs/dbraw/zinc/02/52/20/492025220.db2.gz RMUPTOHKTVBREZ-MRXNPFEDSA-N 0 3 361.490 0.614 20 30 FCEDHN 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C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2ccc(C)nc2)[n-]1 ZINC001130249067 1201568905 /nfs/dbraw/zinc/56/89/05/1201568905.db2.gz ICXBQWVWSFKMGD-HOTGVXAUSA-N 0 3 368.441 0.462 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H]2CCCOC2)[n-]1 ZINC001130249113 1201569477 /nfs/dbraw/zinc/56/94/77/1201569477.db2.gz KEUJLHGLKMSVFL-ILXRZTDVSA-N 0 3 361.446 0.333 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCC(=O)NCC)CC1 ZINC001130279144 1201576119 /nfs/dbraw/zinc/57/61/19/1201576119.db2.gz TYULUHTZRCEIRM-BEFAXECRSA-N 0 3 364.490 0.564 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCn2ccnc2)CC1 ZINC001130292840 1201578773 /nfs/dbraw/zinc/57/87/73/1201578773.db2.gz DQGSJEZXWDABMU-APWZRJJASA-N 0 3 359.474 0.935 20 30 FCEDHN C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2cncn2C)CC1 ZINC001130307047 1201581988 /nfs/dbraw/zinc/58/19/88/1201581988.db2.gz GOJOAUPSIAEJDB-XLIONFOSSA-N 0 3 371.485 0.461 20 30 FCEDHN C#CCOCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCc2cccnc2)C1 ZINC001130587566 1202723945 /nfs/dbraw/zinc/72/39/45/1202723945.db2.gz SPKQVWVFCFNSLK-PKOBYXMFSA-N 0 3 367.453 0.939 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H](NC(N)=O)C(C)(C)C)C[C@H]1c1cn(C)cn1 ZINC001130712822 1202759754 /nfs/dbraw/zinc/75/97/54/1202759754.db2.gz NRXPNBCXZHHFET-CFVMTHIKSA-N 0 3 362.478 0.573 20 30 FCEDHN COCC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC(C)C)n[n-]2)O1 ZINC001130754798 1202777875 /nfs/dbraw/zinc/77/78/75/1202777875.db2.gz NSAPMPUUOBCTOL-LSDHHAIUSA-N 0 3 363.462 0.927 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(C)n3C)n[n-]2)O1 ZINC001130756480 1202779499 /nfs/dbraw/zinc/77/94/99/1202779499.db2.gz JFZOWULTFJJUMJ-DZGCQCFKSA-N 0 3 356.430 0.825 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3ccc(C)n3C)n2)O1 ZINC001130756480 1202779500 /nfs/dbraw/zinc/77/95/00/1202779500.db2.gz JFZOWULTFJJUMJ-DZGCQCFKSA-N 0 3 356.430 0.825 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)COCC3CC3)n[n-]2)O1 ZINC001130765413 1202784685 /nfs/dbraw/zinc/78/46/85/1202784685.db2.gz RFBDVWWFWPPGDY-LSDHHAIUSA-N 0 3 361.446 0.681 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)COCC3CC3)n2)O1 ZINC001130765413 1202784689 /nfs/dbraw/zinc/78/46/89/1202784689.db2.gz RFBDVWWFWPPGDY-LSDHHAIUSA-N 0 3 361.446 0.681 20 30 FCEDHN C=CCCC(=O)NCc1n[nH]c([C@H]2CC[C@@H](CNCc3cnon3)O2)n1 ZINC001130767592 1202785390 /nfs/dbraw/zinc/78/53/90/1202785390.db2.gz NRSCXPGUUBFUMI-QWHCGFSZSA-N 0 3 361.406 0.780 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ncoc3CC)n[n-]2)O1 ZINC001130769854 1202786902 /nfs/dbraw/zinc/78/69/02/1202786902.db2.gz RLKUFCUZVQEGLL-WCQYABFASA-N 0 3 358.402 0.728 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3ncoc3CC)n2)O1 ZINC001130769854 1202786905 /nfs/dbraw/zinc/78/69/05/1202786905.db2.gz RLKUFCUZVQEGLL-WCQYABFASA-N 0 3 358.402 0.728 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cnccc3C)n[n-]2)O1 ZINC001130787564 1202797420 /nfs/dbraw/zinc/79/74/20/1202797420.db2.gz YNRBKVXSJFHMBB-JKSUJKDBSA-N 0 3 368.441 0.810 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C(C)(C)COC)n[n-]2)O1 ZINC001130792459 1202800068 /nfs/dbraw/zinc/80/00/68/1202800068.db2.gz FQTOOWVTIVHZMU-UONOGXRCSA-N 0 3 363.462 0.927 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)C(C)(C)COC)n2)O1 ZINC001130792459 1202800070 /nfs/dbraw/zinc/80/00/70/1202800070.db2.gz FQTOOWVTIVHZMU-UONOGXRCSA-N 0 3 363.462 0.927 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3[nH]c(C)nc3C)n[n-]2)O1 ZINC001130809330 1202802300 /nfs/dbraw/zinc/80/23/00/1202802300.db2.gz RPKRPWVYXMKJAO-QWHCGFSZSA-N 0 3 357.418 0.518 20 30 FCEDHN COCC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3C[C@@H]3C)n[n-]2)O1 ZINC001130799515 1202802787 /nfs/dbraw/zinc/80/27/87/1202802787.db2.gz KRAPNGIXIXSXMV-ZQDZILKHSA-N 0 3 361.446 0.536 20 30 FCEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)[C@@H](O)C1 ZINC001220073766 1224746559 /nfs/dbraw/zinc/74/65/59/1224746559.db2.gz LOPGUORTQXGJTI-MLHJIOFPSA-N 0 3 367.490 0.530 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H](C)n3cccn3)n[n-]2)O1 ZINC001130816002 1202806684 /nfs/dbraw/zinc/80/66/84/1202806684.db2.gz JKGVIWBWKJFHOK-QLFBSQMISA-N 0 3 371.445 0.712 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)C[C@@H](C)n3cccn3)n2)O1 ZINC001130816002 1202806686 /nfs/dbraw/zinc/80/66/86/1202806686.db2.gz JKGVIWBWKJFHOK-QLFBSQMISA-N 0 3 371.445 0.712 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@]3(C)CCCOC3)n[n-]2)O1 ZINC001130815949 1202806701 /nfs/dbraw/zinc/80/67/01/1202806701.db2.gz HVVGWSKCNIQOGT-PMUMKWKESA-N 0 3 361.446 0.681 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@]3(C)CCCOC3)n2)O1 ZINC001130815949 1202806703 /nfs/dbraw/zinc/80/67/03/1202806703.db2.gz HVVGWSKCNIQOGT-PMUMKWKESA-N 0 3 361.446 0.681 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H](NCc2cnn(C)c2)C1 ZINC001130991497 1202838016 /nfs/dbraw/zinc/83/80/16/1202838016.db2.gz OJTJQFKALHKOLQ-DJIMGWMZSA-N 0 3 370.457 0.276 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)CCc2cc(OC)no2)C[C@H]1c1cncn1C ZINC001131001807 1202840603 /nfs/dbraw/zinc/84/06/03/1202840603.db2.gz PGPMWWFVUNFLLN-HZPDHXFCSA-N 0 3 371.441 0.957 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2ccc3n[nH]nc3n2)C[C@H]1c1cncn1C ZINC001131005970 1202841769 /nfs/dbraw/zinc/84/17/69/1202841769.db2.gz FQRLGUHQPNJSKM-IUODEOHRSA-N 0 3 364.413 0.308 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@H](C)NC(=O)C2CCCC2)C[C@H]1c1cncn1C ZINC001130999439 1202842849 /nfs/dbraw/zinc/84/28/49/1202842849.db2.gz QSOUJTPIYBYSLY-USXIJHARSA-N 0 3 371.485 0.632 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)CNC(=O)c2ccoc2)C[C@H]1c1cncn1C ZINC001130999477 1202843028 /nfs/dbraw/zinc/84/30/28/1202843028.db2.gz SKXNURIKDNHRSF-HZPDHXFCSA-N 0 3 369.425 0.350 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)Cc2nc(CC)c[nH]2)C[C@H]1c1cncn1C ZINC001131010619 1202844378 /nfs/dbraw/zinc/84/43/78/1202844378.db2.gz VIMRQBHJEYGQDM-HZPDHXFCSA-N 0 3 354.458 0.856 20 30 FCEDHN COCC#CCN[C@@H]1CN(C(=O)Cn2cncc2C)C[C@H]1c1cncn1C ZINC001131031083 1202846059 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CCCCCCCN1C[C@@H](NC(=O)CNC(=O)c2cccnc2)[C@@H](O)C1 ZINC001220399355 1224859866 /nfs/dbraw/zinc/85/98/66/1224859866.db2.gz NJLDZSZDNYUFRN-SJORKVTESA-N 0 3 362.474 0.943 20 30 FCEDHN CCO[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1CNCc1ccccc1C#N ZINC001087071713 1204959464 /nfs/dbraw/zinc/95/94/64/1204959464.db2.gz AOKDLRNTXVODBD-FGTMMUONSA-N 0 3 370.453 0.647 20 30 FCEDHN CN1C[C@H](C(=O)N2C[C@H]3CN(Cc4cccc(C#N)c4)C[C@@]3(C)C2)NC1=O ZINC001091914787 1205071111 /nfs/dbraw/zinc/07/11/11/1205071111.db2.gz KEBQGRUZHKJSMT-HLIPFELVSA-N 0 3 367.453 0.862 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@H]3CN([C@@H](C)C(=O)N(C)C)C[C@@]3(C)C2)nc1 ZINC001092211238 1205212760 /nfs/dbraw/zinc/21/27/60/1205212760.db2.gz AGVUZYGRHXNCJH-NBQZKYEYSA-N 0 3 354.454 0.934 20 30 FCEDHN C=CCN1CC[C@@H](N2C[C@@H](CNC(=O)c3cn(C)nc3C)[C@H](C)C2)C1=O ZINC001092510987 1205299248 /nfs/dbraw/zinc/29/92/48/1205299248.db2.gz GFUYEZMJBXOOSS-FRFSOERESA-N 0 3 359.474 0.813 20 30 FCEDHN C=CCN1CC[C@@H](N2C[C@@H](CNC(=O)c3cnn(C)c3N)[C@H](C)C2)C1=O 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ZFPQAPFEAKFVCR-VNHYZAJKSA-N 0 3 361.446 0.476 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)Cc2cccnc2)C[C@H]1C ZINC001214443775 1223910041 /nfs/dbraw/zinc/91/00/41/1223910041.db2.gz KOSAKOQDMZSRRL-NVXWUHKLSA-N 0 3 357.458 0.823 20 30 FCEDHN CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C ZINC001214447624 1223910748 /nfs/dbraw/zinc/91/07/48/1223910748.db2.gz AMFKALAJBPOEOJ-UHIISALHSA-N 0 3 360.418 0.171 20 30 FCEDHN C#CCCCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC001214467668 1223911827 /nfs/dbraw/zinc/91/18/27/1223911827.db2.gz BFLHBLLRKNZTOI-BZUAXINKSA-N 0 3 364.490 0.209 20 30 FCEDHN CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C ZINC001214464051 1223911891 /nfs/dbraw/zinc/91/18/91/1223911891.db2.gz LKSIASJOUQMCGD-UHIISALHSA-N 0 3 360.418 0.171 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2ccoc2)C[C@H]1C ZINC001214499366 1223915785 /nfs/dbraw/zinc/91/57/85/1223915785.db2.gz DVIHPWJRWGRABM-UMVBOHGHSA-N 0 3 362.430 0.659 20 30 FCEDHN C#CCCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCOC[C@@H]2C2CC2)C1 ZINC001214529093 1223918607 /nfs/dbraw/zinc/91/86/07/1223918607.db2.gz LYPJIZNFBAUBBI-KBAYOESNSA-N 0 3 361.486 0.864 20 30 FCEDHN C=C[C@](C)(O)CC(=O)N1C[C@@H](C)[C@H](NCc2cc(=O)n3nccc3[nH]2)C1 ZINC001214533365 1223919277 /nfs/dbraw/zinc/91/92/77/1223919277.db2.gz KFWRKOQOTOJECM-DFHBCGBQSA-N 0 3 359.430 0.286 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@H]1C ZINC001214531347 1223919456 /nfs/dbraw/zinc/91/94/56/1223919456.db2.gz ZGFHSIDUQLNXGK-HUUCEWRRSA-N 0 3 360.462 0.541 20 30 FCEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C ZINC001214543731 1223919812 /nfs/dbraw/zinc/91/98/12/1223919812.db2.gz LITINJOKKIVFBP-RBSFLKMASA-N 0 3 362.478 0.678 20 30 FCEDHN CC(C)C#CC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NC2CCCC2)C1 ZINC001214581852 1223923132 /nfs/dbraw/zinc/92/31/32/1223923132.db2.gz AYTULJMSHFHBPK-GDBMZVCRSA-N 0 3 362.474 0.851 20 30 FCEDHN C#CCOCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCc2cccnc2)C1 ZINC001214606446 1223925547 /nfs/dbraw/zinc/92/55/47/1223925547.db2.gz GQYVZOLYAIETSR-NVXWUHKLSA-N 0 3 358.442 0.174 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)C[C@H](C)N2CCCCC2=O)C[C@H]1C ZINC001214617415 1223926511 /nfs/dbraw/zinc/92/65/11/1223926511.db2.gz RVJKEGNHWLGTMO-OWCLPIDISA-N 0 3 364.490 0.516 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)C[C@@H](C)N2CCCCC2=O)C[C@H]1C ZINC001214617414 1223926602 /nfs/dbraw/zinc/92/66/02/1223926602.db2.gz RVJKEGNHWLGTMO-BZUAXINKSA-N 0 3 364.490 0.516 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnn(C3CCC3)c2)C[C@H]1C ZINC001214631985 1223927764 /nfs/dbraw/zinc/92/77/64/1223927764.db2.gz DFBTXPSJMKMLCO-JKIFEVAISA-N 0 3 357.458 0.796 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccn3c(C)cnc3c2)C[C@H]1C ZINC001214632680 1223928018 /nfs/dbraw/zinc/92/80/18/1223928018.db2.gz QSARADCXASEZSJ-CZUORRHYSA-N 0 3 353.426 0.442 20 30 FCEDHN C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccncc2)C[C@H]1NCC(=O)NCC#N ZINC001214655138 1223929476 /nfs/dbraw/zinc/92/94/76/1223929476.db2.gz ACPONRCOBGOYML-IIVZCXTMSA-N 0 3 371.441 0.235 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)C[C@H](C)n2ccnc2CC)C[C@H]1C ZINC001214662069 1223930241 /nfs/dbraw/zinc/93/02/41/1223930241.db2.gz SISUBOHQICDSKP-OWCLPIDISA-N 0 3 359.474 0.583 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)CC)C2)C[C@H]1C ZINC001214688815 1223932274 /nfs/dbraw/zinc/93/22/74/1223932274.db2.gz JCWTYCKKEURSAE-OWCLPIDISA-N 0 3 364.490 0.374 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)C3)C[C@H]1C ZINC001214701663 1223935212 /nfs/dbraw/zinc/93/52/12/1223935212.db2.gz DDDMVSQTBUUFOV-PBFPGSCMSA-N 0 3 368.437 0.369 20 30 FCEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)N[C@@H](C)COC)C1 ZINC001214745426 1223938148 /nfs/dbraw/zinc/93/81/48/1223938148.db2.gz JNFCTASNBNGGOX-QLFBSQMISA-N 0 3 368.478 0.640 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cnn(C(C)(C)C)c2C)C[C@H]1C ZINC001214780334 1223941562 /nfs/dbraw/zinc/94/15/62/1223941562.db2.gz VNCVJWUOUGZPMN-CZUORRHYSA-N 0 3 359.474 0.746 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cccc3c2OCCO3)C[C@H]1C ZINC001214777976 1223941630 /nfs/dbraw/zinc/94/16/30/1223941630.db2.gz VEJBFDSUPVSPGV-UKRRQHHQSA-N 0 3 359.426 0.810 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)CN2CCCCCCC2=O)C[C@H]1C ZINC001214787915 1223942252 /nfs/dbraw/zinc/94/22/52/1223942252.db2.gz VJHCEKPCDCFBCA-HZPDHXFCSA-N 0 3 364.490 0.518 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCc3cc(OC)ccc32)C[C@H]1C ZINC001214794426 1223942703 /nfs/dbraw/zinc/94/27/03/1223942703.db2.gz FMACXJXOLTYMBG-MDASCCDHSA-N 0 3 369.465 0.911 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccc3n[nH]nc3n2)C[C@H]1C ZINC001214797106 1223943231 /nfs/dbraw/zinc/94/32/31/1223943231.db2.gz UAHKWIHCHILLNQ-UHIISALHSA-N 0 3 357.418 0.094 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ncc(OC)cc2F)C[C@H]1C ZINC001214806805 1223943582 /nfs/dbraw/zinc/94/35/82/1223943582.db2.gz JVUUZAIXPCSHDJ-TYNCELHUSA-N 0 3 364.421 0.970 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ncccc2NC(C)=O)C[C@H]1C ZINC001214809921 1223944388 /nfs/dbraw/zinc/94/43/88/1223944388.db2.gz WRRHOWPDMWISMX-XJKCOSOUSA-N 0 3 371.441 0.228 20 30 FCEDHN C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccccn2)C[C@H]1NCC(=O)NCC#N ZINC001214813927 1223944812 /nfs/dbraw/zinc/94/48/12/1223944812.db2.gz CUBUPGPROGAVFY-IUODEOHRSA-N 0 3 367.413 0.162 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2c(C3CC3)cnn2C)C[C@H]1C ZINC001214822042 1223945441 /nfs/dbraw/zinc/94/54/41/1223945441.db2.gz RJGHPNTUYCNLQD-DVOMOZLQSA-N 0 3 357.458 0.486 20 30 FCEDHN C#CCC1(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC3CC3)C2)CCOCC1 ZINC001214822109 1223945588 /nfs/dbraw/zinc/94/55/88/1223945588.db2.gz VBRBRIZZQABHTG-NVXWUHKLSA-N 0 3 361.486 0.769 20 30 FCEDHN C[C@@H]1CN(C(=O)c2cc3ccccc3c(=O)[nH]2)C[C@H]1NCC(=O)NCC#N ZINC001214855899 1223948414 /nfs/dbraw/zinc/94/84/14/1223948414.db2.gz QWWHVYKAJGWKGG-MLGOLLRUSA-N 0 3 367.409 0.630 20 30 FCEDHN C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCCOCC)C1 ZINC001214861208 1223948981 /nfs/dbraw/zinc/94/89/81/1223948981.db2.gz KTWVORKKHDLNAC-HZPDHXFCSA-N 0 3 362.474 0.877 20 30 FCEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C ZINC001214902369 1223953883 /nfs/dbraw/zinc/95/38/83/1223953883.db2.gz MEFPGDPXQINRHP-QLFBSQMISA-N 0 3 366.506 0.748 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccnc(-n3cccc3)c2)C[C@H]1C ZINC001214908809 1223954517 /nfs/dbraw/zinc/95/45/17/1223954517.db2.gz CLIHXYBSZQXTPE-NVXWUHKLSA-N 0 3 365.437 0.672 20 30 FCEDHN C#Cc1cccc(CN2CC[C@@]3(C2)CN([C@H](CC)C(N)=O)C(=O)CO3)c1 ZINC001276715642 1223954779 /nfs/dbraw/zinc/95/47/79/1223954779.db2.gz GNIFIYHXERASMK-YLJYHZDGSA-N 0 3 355.438 0.735 20 30 FCEDHN C#Cc1cccc(CN2CC[C@]3(C2)CN([C@H](CC)C(N)=O)C(=O)CO3)c1 ZINC001276715640 1223955074 /nfs/dbraw/zinc/95/50/74/1223955074.db2.gz GNIFIYHXERASMK-XLIONFOSSA-N 0 3 355.438 0.735 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cn3c(n2)C[C@H](C)CC3)C[C@H]1C ZINC001214955338 1223959270 /nfs/dbraw/zinc/95/92/70/1223959270.db2.gz WBCVXRWWGAXORP-RBSFLKMASA-N 0 3 357.458 0.265 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cn3c(n2)CC[C@@H](C)C3)C[C@H]1C ZINC001214957161 1223959676 /nfs/dbraw/zinc/95/96/76/1223959676.db2.gz XTGJRWFIOVJKHM-RBSFLKMASA-N 0 3 359.474 0.818 20 30 FCEDHN C[C@@H]1CN(C(=O)c2cn3c(n2)CC[C@H](C)C3)C[C@H]1NCC(=O)NCC#N ZINC001214956861 1223959804 /nfs/dbraw/zinc/95/98/04/1223959804.db2.gz JUVDEXCQKRCXTF-BFHYXJOUSA-N 0 3 358.446 0.155 20 30 FCEDHN C[C@@H]1CN(C(=O)c2cn(C)nc2C2CCC2)C[C@H]1NCC(=O)NCC#N ZINC001215004281 1223962975 /nfs/dbraw/zinc/96/29/75/1223962975.db2.gz YLWIHEQGHRJOFF-IUODEOHRSA-N 0 3 358.446 0.377 20 30 FCEDHN C[C@@H]1CN(C(=O)c2ccc3c(cc[nH]c3=O)n2)C[C@H]1NCC(=O)NCC#N ZINC001215015484 1223964411 /nfs/dbraw/zinc/96/44/11/1223964411.db2.gz VWNZFNGPGAMEEY-IAQYHMDHSA-N 0 3 368.397 0.025 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cn3cccnc3n2)C[C@H]1C ZINC001215056860 1223969255 /nfs/dbraw/zinc/96/92/55/1223969255.db2.gz LIRAAJHPPWBOIM-HZSPNIEDSA-N 0 3 356.430 0.470 20 30 FCEDHN COCC#CCN[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC)cc2)C[C@H]1C ZINC001215081612 1223971331 /nfs/dbraw/zinc/97/13/31/1223971331.db2.gz IPJSPZJTKHGJND-RHSMWYFYSA-N 0 3 359.426 0.720 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](NC(C)=O)C2CCCC2)C[C@H]1C ZINC001215105699 1223973395 /nfs/dbraw/zinc/97/33/95/1223973395.db2.gz NMDKNVZZLSQYKV-MZMPZRCHSA-N 0 3 364.490 0.420 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnc3ccc(C)cn32)C[C@H]1C ZINC001215136607 1223976815 /nfs/dbraw/zinc/97/68/15/1223976815.db2.gz JIFLNGDXDRWHPG-OWCLPIDISA-N 0 3 367.453 0.831 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnc3cnccc3c2)C[C@H]1C ZINC001215153295 1223978435 /nfs/dbraw/zinc/97/84/35/1223978435.db2.gz LQLUXWXYGOMWCE-HBUWYVDXSA-N 0 3 365.437 0.818 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cn2cnc3c2CCCC3)C[C@H]1C ZINC001215161876 1223979027 /nfs/dbraw/zinc/97/90/27/1223979027.db2.gz DZYMERIJFQYEDN-HLLBOEOZSA-N 0 3 371.485 0.336 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cn2ncc3cccnc32)C[C@H]1C ZINC001215180405 1223980102 /nfs/dbraw/zinc/98/01/02/1223980102.db2.gz POSUEBMERXYJFM-IIAWOOMASA-N 0 3 370.457 0.559 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ccnc3[nH]c(C)nc32)C[C@H]1C ZINC001215194403 1223981336 /nfs/dbraw/zinc/98/13/36/1223981336.db2.gz STCADYZCHLTLEU-BXUZGUMPSA-N 0 3 356.430 0.619 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCn2nc(C)cc2C)C[C@H]1C ZINC001215267136 1223986817 /nfs/dbraw/zinc/98/68/17/1223986817.db2.gz ZHNFODRYBBFFOG-KBRIMQKVSA-N 0 3 359.474 0.464 20 30 FCEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1C ZINC001215356159 1223993666 /nfs/dbraw/zinc/99/36/66/1223993666.db2.gz QVFBANFYBSMTMW-OWCLPIDISA-N 0 3 362.474 0.102 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)Cc2c[nH]c3cnccc23)C[C@H]1C ZINC001215393021 1223995976 /nfs/dbraw/zinc/99/59/76/1223995976.db2.gz LBDFNJZABRVKKZ-CXAGYDPISA-N 0 3 353.426 0.291 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCCc3nn(C)cc32)C[C@H]1C ZINC001215401435 1223996853 /nfs/dbraw/zinc/99/68/53/1223996853.db2.gz NOHLLNCIQSEDQU-JKIFEVAISA-N 0 3 359.474 0.579 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccnc3c2ncn3C)C[C@H]1C ZINC001215519057 1224004151 /nfs/dbraw/zinc/00/41/51/1224004151.db2.gz WFEAVCXBSXLJDL-VNHYZAJKSA-N 0 3 370.457 0.709 20 30 FCEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1C ZINC001215525339 1224004493 /nfs/dbraw/zinc/00/44/93/1224004493.db2.gz LVLQLADUMIPJMF-CLCXKQKWSA-N 0 3 362.474 0.150 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ccc3ncn(C)c3n2)C[C@H]1C ZINC001215532158 1224004678 /nfs/dbraw/zinc/00/46/78/1224004678.db2.gz ISHFYGXKKXWAQC-XJKCOSOUSA-N 0 3 368.441 0.156 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2nnn(CC)c2CC)C[C@H]1C ZINC001215525832 1224004722 /nfs/dbraw/zinc/00/47/22/1224004722.db2.gz ZWYNAPAJYVWHLM-MGPQQGTHSA-N 0 3 362.478 0.601 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccccc2-n2cccn2)C[C@H]1C ZINC001215670014 1224012118 /nfs/dbraw/zinc/01/21/18/1224012118.db2.gz ZKGKKLKUCDYYBK-NVXWUHKLSA-N 0 3 365.437 0.672 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cccc(N3CC=CC3)c2)C[C@H]1C ZINC001215693365 1224012519 /nfs/dbraw/zinc/01/25/19/1224012519.db2.gz KKDBIBATFZWDNA-VQIMIIECSA-N 0 3 366.465 0.862 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)Cn2nccc2C)C[C@H]1C ZINC001215709564 1224013004 /nfs/dbraw/zinc/01/30/04/1224013004.db2.gz AGDMXPRRDZDPHS-GDBMZVCRSA-N 0 3 360.462 0.390 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)C2(c3cccc(OC)c3)CC2)C[C@H]1C ZINC001215710501 1224013646 /nfs/dbraw/zinc/01/36/46/1224013646.db2.gz ZJDIUSBDHGSFAI-CRAIPNDOSA-N 0 3 369.465 0.913 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cn2ccc(C)cc2=O)C[C@H]1C ZINC001215722481 1224013997 /nfs/dbraw/zinc/01/39/97/1224013997.db2.gz GZFZUTJETBHGJL-OWCLPIDISA-N 0 3 360.458 0.284 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2c(C)nn(C)c2OC)C[C@H]1C ZINC001215733156 1224014663 /nfs/dbraw/zinc/01/46/63/1224014663.db2.gz XUSSAXRGKLJEGM-KWCYVHTRSA-N 0 3 363.462 0.478 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2c(C)nn(C)c2OC)C[C@H]1C ZINC001215733157 1224014903 /nfs/dbraw/zinc/01/49/03/1224014903.db2.gz XUSSAXRGKLJEGM-MRVWCRGKSA-N 0 3 363.462 0.478 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cnn(-c3ccccn3)c2)C[C@H]1C ZINC001215746852 1224015462 /nfs/dbraw/zinc/01/54/62/1224015462.db2.gz MSTFIDDZAWRMAH-GDBMZVCRSA-N 0 3 366.425 0.067 20 30 FCEDHN C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(C)(C)C)C1 ZINC001215802805 1224018697 /nfs/dbraw/zinc/01/86/97/1224018697.db2.gz MIQCZNJBTAEDCP-FVQBIDKESA-N 0 3 366.506 0.809 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)COCc2ccccc2C)C[C@H]1C ZINC001215850914 1224020900 /nfs/dbraw/zinc/02/09/00/1224020900.db2.gz AWDXDRJEPQYJKM-SJLPKXTDSA-N 0 3 357.454 0.698 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2c2ccccc2)C[C@H]1C ZINC001215869137 1224021937 /nfs/dbraw/zinc/02/19/37/1224021937.db2.gz WQVSVODDYSJYBG-DLVXIWMQSA-N 0 3 369.465 0.745 20 30 FCEDHN C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1NCC#Cc1ccccc1 ZINC001215903874 1224023368 /nfs/dbraw/zinc/02/33/68/1224023368.db2.gz HMDGRPBHMYFCJL-RHSMWYFYSA-N 0 3 353.422 0.527 20 30 FCEDHN Cc1cccn2cc(CC(=O)N3C[C@@H](C)[C@H](NCC(=O)NCC#N)C3)nc12 ZINC001215920466 1224024692 /nfs/dbraw/zinc/02/46/92/1224024692.db2.gz LZDFEATUGXHASQ-GDBMZVCRSA-N 0 3 368.441 0.262 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnn(CC(C)C)c2)C[C@H]1C ZINC001216073367 1224032445 /nfs/dbraw/zinc/03/24/45/1224032445.db2.gz GGKYNPAGEVTGMW-BFYDXBDKSA-N 0 3 359.474 0.727 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)COCc2ccncc2)C[C@H]1C ZINC001216077254 1224032975 /nfs/dbraw/zinc/03/29/75/1224032975.db2.gz CKVKZZFLXIPKBW-BFYDXBDKSA-N 0 3 360.458 0.725 20 30 FCEDHN C[C@@H]1CN(C(=O)c2n[nH]c3c2C[C@H](C)CC3)C[C@H]1NCC(=O)NCC#N ZINC001216153863 1224037152 /nfs/dbraw/zinc/03/71/52/1224037152.db2.gz WDBPRIYIAAKFIN-LALPHHSUSA-N 0 3 358.446 0.224 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2oncc2C)C[C@H]1C ZINC001216185496 1224038097 /nfs/dbraw/zinc/03/80/97/1224038097.db2.gz VGHFIJCRMDVNBV-JHJVBQTASA-N 0 3 363.418 0.433 20 30 FCEDHN C[C@@H]1CN(C(=O)c2ccc(-c3nc[nH]n3)cc2)C[C@H]1NCC(=O)NCC#N ZINC001216189813 1224038177 /nfs/dbraw/zinc/03/81/77/1224038177.db2.gz KRDNHLYGVCPKGD-IUODEOHRSA-N 0 3 367.413 0.162 20 30 FCEDHN Cc1nc2cccc(C(=O)N3C[C@@H](C)[C@H](NCC(=O)NCC#N)C3)c2[nH]1 ZINC001216213475 1224039281 /nfs/dbraw/zinc/03/92/81/1224039281.db2.gz NFFOJCCGGLWORK-IAQYHMDHSA-N 0 3 354.414 0.561 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)CCCCC(N)=O)C[C@H]1C ZINC001216280533 1224042008 /nfs/dbraw/zinc/04/20/08/1224042008.db2.gz YRXXBRCULCFCPC-HUUCEWRRSA-N 0 3 365.478 0.231 20 30 FCEDHN C=CCN1CC[C@H](N[C@@H]2CN(C(=O)CCOCCCOC)C[C@H]2C)C1=O ZINC001216287500 1224042227 /nfs/dbraw/zinc/04/22/27/1224042227.db2.gz OLEWJOGRMHODJH-IXDOHACOSA-N 0 3 367.490 0.653 20 30 FCEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)COCCCOC)C[C@H]1C ZINC001216290131 1224042455 /nfs/dbraw/zinc/04/24/55/1224042455.db2.gz KRYKMMDIGUGALL-IAGOWNOFSA-N 0 3 367.490 0.677 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ncccc2OCC=C)C[C@H]1C ZINC001216323822 1224044312 /nfs/dbraw/zinc/04/43/12/1224044312.db2.gz KMPLADIOLVMXHT-OWCLPIDISA-N 0 3 370.453 0.834 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cccnc2OCC#C)C[C@H]1C ZINC001216439357 1224051332 /nfs/dbraw/zinc/05/13/32/1224051332.db2.gz SNAUIXYWQRFYGL-BFYDXBDKSA-N 0 3 368.437 0.282 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N(C)CC3CC3)C2)cn1 ZINC001216448186 1224051686 /nfs/dbraw/zinc/05/16/86/1224051686.db2.gz KKAMTPWTDPUDFL-RDTXWAMCSA-N 0 3 354.454 0.981 20 30 FCEDHN CN(C)CCN1C(=O)COCC12CN(CCOc1ccccc1C#N)C2 ZINC001276742480 1224054612 /nfs/dbraw/zinc/05/46/12/1224054612.db2.gz GGJFODZPPBYRJW-UHFFFAOYSA-N 0 3 358.442 0.412 20 30 FCEDHN C[C@@H]1CN(C(=O)c2cnn3c2C[C@H](C)CC3)C[C@H]1NCC(=O)NCC#N ZINC001216597546 1224057575 /nfs/dbraw/zinc/05/75/75/1224057575.db2.gz IXBCUIHNPRIXNW-UMVBOHGHSA-N 0 3 358.446 0.155 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)C[C@H]2OCc3ccccc32)C[C@H]1C ZINC001216602518 1224057996 /nfs/dbraw/zinc/05/79/96/1224057996.db2.gz OZWUETSBTPXTSH-ZTFGCOKTSA-N 0 3 355.438 0.834 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)Cc2ccc3c[nH]nc3c2)C[C@H]1C ZINC001216618430 1224059050 /nfs/dbraw/zinc/05/90/50/1224059050.db2.gz MXRJBFQKORYSMM-CXAGYDPISA-N 0 3 353.426 0.291 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ccc3c(c2)N(C)CC3)C[C@H]1C ZINC001216633190 1224059902 /nfs/dbraw/zinc/05/99/02/1224059902.db2.gz NWWQGFPXTKTPQP-IIDMSEBBSA-N 0 3 368.481 0.867 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2COc3ccccc3O2)C[C@H]1C ZINC001216659727 1224060580 /nfs/dbraw/zinc/06/05/80/1224060580.db2.gz MPRMKWNASCMBJV-CKEIUWERSA-N 0 3 359.426 0.565 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ccc(NC(N)=O)cc2)C[C@H]1C ZINC001216687460 1224061047 /nfs/dbraw/zinc/06/10/47/1224061047.db2.gz NDBYGFNHGOVWFG-XJKCOSOUSA-N 0 3 371.441 0.365 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)Cn2ccc(C(F)(F)F)n2)C[C@H]1C ZINC001216708807 1224063064 /nfs/dbraw/zinc/06/30/64/1224063064.db2.gz LMGCAWVOQJZEII-VXGBXAGGSA-N 0 3 371.363 0.088 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C(=O)Nc2cc(C)on2)C[C@H]1C ZINC001216742976 1224067128 /nfs/dbraw/zinc/06/71/28/1224067128.db2.gz YWRCRZPCKJSJAK-RAIGVLPGSA-N 0 3 363.418 0.049 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2c[nH]c3ncccc23)C[C@H]1C ZINC001216770670 1224071075 /nfs/dbraw/zinc/07/10/75/1224071075.db2.gz XQRASZNUJOTXPQ-DVOMOZLQSA-N 0 3 353.426 0.751 20 30 FCEDHN C[C@@H]1CN(C(=O)CCOCc2ccccc2)C[C@H]1NCC(=O)NCC#N ZINC001216781515 1224071367 /nfs/dbraw/zinc/07/13/67/1224071367.db2.gz CREKKAFCLIOZRP-NVXWUHKLSA-N 0 3 358.442 0.670 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccco2)C[C@H]1C ZINC001216789523 1224071976 /nfs/dbraw/zinc/07/19/76/1224071976.db2.gz BNUGNSAHYKHYTD-TZMCWYRMSA-N 0 3 355.398 0.469 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)Cc2[nH]nc3ccccc32)C[C@H]1C ZINC001216833056 1224076618 /nfs/dbraw/zinc/07/66/18/1224076618.db2.gz RNGBWPPDHUNAEY-CXAGYDPISA-N 0 3 355.442 0.844 20 30 FCEDHN C[C@@H]1CN(C(=O)Cc2cc3ccccc3n2C)C[C@H]1NCC(=O)NCC#N ZINC001216877778 1224080198 /nfs/dbraw/zinc/08/01/98/1224080198.db2.gz RGRRRZIRKITLME-RHSMWYFYSA-N 0 3 367.453 0.797 20 30 FCEDHN CO[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1)c1ccc(F)cc1 ZINC001216898490 1224080702 /nfs/dbraw/zinc/08/07/02/1224080702.db2.gz BVEYCPNFYOPUNC-SRCQZFHVSA-N 0 3 362.405 0.589 20 30 FCEDHN C[C@@H]1CN(C(=O)C[C@@H]2c3ccccc3NC2=O)C[C@H]1NCC(=O)NCC#N ZINC001216964524 1224082343 /nfs/dbraw/zinc/08/23/43/1224082343.db2.gz CTLNOELRDLVOEF-XNRPHZJLSA-N 0 3 369.425 0.189 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ccccc2N(C)C)C[C@H]1C ZINC001217000838 1224083822 /nfs/dbraw/zinc/08/38/22/1224083822.db2.gz QNPLOOJOYHSUON-BFYDXBDKSA-N 0 3 356.470 0.941 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cccc(-n3ccnn3)c2)C[C@H]1C ZINC001217060658 1224086862 /nfs/dbraw/zinc/08/68/62/1224086862.db2.gz WQHYKVZZKHTUJH-RHSMWYFYSA-N 0 3 366.425 0.067 20 30 FCEDHN 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/nfs/dbraw/zinc/56/13/15/1264561315.db2.gz UMQXIMPMQCSFQS-HNNXBMFYSA-N 0 3 357.458 0.631 20 30 FCEDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC#Cc1ccccc1 ZINC001325450772 1264891575 /nfs/dbraw/zinc/89/15/75/1264891575.db2.gz NIEJQEAEMKIJOU-GOSISDBHSA-N 0 3 357.454 0.724 20 30 FCEDHN C=CCn1cc(CNC(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)nn1 ZINC001325910924 1265020242 /nfs/dbraw/zinc/02/02/42/1265020242.db2.gz NAYQUJSQAPNELC-WBVHZDCISA-N 0 3 361.494 0.632 20 30 FCEDHN C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC001549509297 1267928703 /nfs/dbraw/zinc/92/87/03/1267928703.db2.gz CNTWLSLFEZITPT-PRXAMGSTSA-N 0 3 362.455 0.453 20 30 FCEDHN Cn1c(-c2cncc(C#N)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001339116640 1268170218 /nfs/dbraw/zinc/17/02/18/1268170218.db2.gz SCRBPBQHKPPSTL-AWEZNQCLSA-N 0 3 353.430 0.907 20 30 FCEDHN C=CCn1c(-c2cn(CCO)nn2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001339138333 1268174652 /nfs/dbraw/zinc/17/46/52/1268174652.db2.gz VTRLVDFXHMOIML-UONOGXRCSA-N 0 3 360.466 0.634 20 30 FCEDHN C=CCn1c(Cn2cnc(C#N)n2)nnc1N1CCN(CC2CC2)CC1 ZINC001339219950 1268188414 /nfs/dbraw/zinc/18/84/14/1268188414.db2.gz UTBBZVPNRFWAOY-UHFFFAOYSA-N 0 3 353.434 0.508 20 30 FCEDHN C[C@@H](CCC#N)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C ZINC001340072801 1268426670 /nfs/dbraw/zinc/42/66/70/1268426670.db2.gz KSDDNTVUTZHAKQ-HNNXBMFYSA-N 0 3 359.478 0.967 20 30 FCEDHN CCn1c(C2CCN(CCO)CC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001340215417 1268473604 /nfs/dbraw/zinc/47/36/04/1268473604.db2.gz AVQDJMVNGDPOLR-QGZVFWFLSA-N 0 3 373.505 0.646 20 30 FCEDHN C=CCn1c(-c2cn[nH]c(=O)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001340803132 1268662959 /nfs/dbraw/zinc/66/29/59/1268662959.db2.gz OELVKKQISAQIMI-CQSZACIVSA-N 0 3 371.445 0.785 20 30 FCEDHN Cc1cc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)nn1CCC#N ZINC001341493585 1269031530 /nfs/dbraw/zinc/03/15/30/1269031530.db2.gz DQRZVFSJPZGJKF-KBPBESRZSA-N 0 3 360.418 0.023 20 30 FCEDHN C=C(C)Cn1c([C@H](O)COC)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001341713392 1269164592 /nfs/dbraw/zinc/16/45/92/1269164592.db2.gz TYKPKEJHOBCFTE-HZPDHXFCSA-N 0 3 365.478 0.693 20 30 FCEDHN C=CCn1c(CCc2nnn[n-]2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001342039439 1269316093 /nfs/dbraw/zinc/31/60/93/1269316093.db2.gz UOCARFYGPJXXLA-CQSZACIVSA-N 0 3 357.466 0.827 20 30 FCEDHN C=CCn1c(CCc2nn[n-]n2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001342039439 1269316105 /nfs/dbraw/zinc/31/61/05/1269316105.db2.gz UOCARFYGPJXXLA-CQSZACIVSA-N 0 3 357.466 0.827 20 30 FCEDHN COCCCNC(=O)C(C#N)C(=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC001342597014 1269531783 /nfs/dbraw/zinc/53/17/83/1269531783.db2.gz GDKHBAIRICANDB-UONOGXRCSA-N 0 3 364.423 0.809 20 30 FCEDHN COCCNC(=O)C(C#N)C(=O)CSc1nnnn1C1CCCC1 ZINC001342605004 1269534681 /nfs/dbraw/zinc/53/46/81/1269534681.db2.gz IUPUMVINBJDLSY-LLVKDONJSA-N 0 3 352.420 0.352 20 30 FCEDHN C=C(C)Cn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1C1(O)CC1 ZINC001342814088 1269622261 /nfs/dbraw/zinc/62/22/61/1269622261.db2.gz XIYRNXIFMNCLIK-UHFFFAOYSA-N 0 3 374.489 0.580 20 30 FCEDHN C=CCCC[C@H](N)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC001343410038 1269901318 /nfs/dbraw/zinc/90/13/18/1269901318.db2.gz UDFCWNBWBAOQBF-INIZCTEOSA-N 0 3 359.474 0.920 20 30 FCEDHN CCn1nncc1C(=O)C(C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC001343478666 1269921900 /nfs/dbraw/zinc/92/19/00/1269921900.db2.gz RMUKMLIEJQZMMZ-CYBMUJFWSA-N 0 3 354.370 0.961 20 30 FCEDHN C=CCCC[C@H](N)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC001574903501 1271667005 /nfs/dbraw/zinc/66/70/05/1271667005.db2.gz SUKHUPNMEDXURP-AWEZNQCLSA-N 0 3 356.448 0.332 20 30 FCEDHN C#CCN(C(=O)c1cc(OCC)no1)C1CCN(CCc2cn[nH]n2)CC1 ZINC001574928826 1271680738 /nfs/dbraw/zinc/68/07/38/1271680738.db2.gz YRJRTVULIHYEMG-UHFFFAOYSA-N 0 3 372.429 0.974 20 30 FCEDHN C=CCNC(=O)Cn1c([C@@H]2CCCN2)nnc1N(C)CCn1cccn1 ZINC001574935764 1271681508 /nfs/dbraw/zinc/68/15/08/1271681508.db2.gz CBBISTUARPRSLH-AWEZNQCLSA-N 0 3 358.450 0.338 20 30 FCEDHN C=CCN(CC=C)c1nnc([C@@H]2CCCN2)n1CC(=O)N1CCOCC1 ZINC001574930401 1271681561 /nfs/dbraw/zinc/68/15/61/1271681561.db2.gz SISZRFGHVPMXQY-HNNXBMFYSA-N 0 3 360.462 0.740 20 30 FCEDHN C#CCN1CCC(N(Cc2c[nH]nn2)C(=O)C(=O)N2CCC[C@@H](C)C2)CC1 ZINC001574986165 1271689073 /nfs/dbraw/zinc/68/90/73/1271689073.db2.gz UEDXVBAGFVWAEI-OAHLLOKOSA-N 0 3 372.473 0.489 20 30 FCEDHN C=C1CC(C)(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(CC(=O)NCc2cn[nH]n2)C3)C1 ZINC001575059649 1271704109 /nfs/dbraw/zinc/70/41/09/1271704109.db2.gz NKGGNYSTMCCONF-DZKIICNBSA-N 0 3 372.473 0.746 20 30 FCEDHN C=CC(C)(C)CC(=O)N1CC[C@@H]2[C@@H](CCN2CC(=O)NCc2cn[nH]n2)C1 ZINC001575066433 1271706083 /nfs/dbraw/zinc/70/60/83/1271706083.db2.gz SPENPSXRAXVUQL-GOEBONIOSA-N 0 3 374.489 0.946 20 30 FCEDHN C=CC(C)(C)CC(=O)N1CC[C@@H]2[C@@H](CCN2CC(=O)NCc2c[nH]nn2)C1 ZINC001575066433 1271706092 /nfs/dbraw/zinc/70/60/92/1271706092.db2.gz SPENPSXRAXVUQL-GOEBONIOSA-N 0 3 374.489 0.946 20 30 FCEDHN C=C[C@](C)(CCOC)C(=O)N1CCCO[C@@H](CNCc2c[nH]nn2)C1 ZINC001575072615 1271708044 /nfs/dbraw/zinc/70/80/44/1271708044.db2.gz KQOGWZSIGFTCEL-DOTOQJQBSA-N 0 3 351.451 0.741 20 30 FCEDHN C=CCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1CC(=O)NCc1c[nH]nn1 ZINC001575085637 1271714454 /nfs/dbraw/zinc/71/44/54/1271714454.db2.gz LENRTUSVUVZHSQ-SVGFKBNWSA-N 0 3 372.473 0.556 20 30 FCEDHN C=CCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)Cc1ccccc1-c1c[nH]nn1 ZINC001575103680 1271717961 /nfs/dbraw/zinc/71/79/61/1271717961.db2.gz HFYRFJSXUULDTP-ZIAGYGMSSA-N 0 3 370.457 0.799 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)c1ccc(-c2c[nH]nn2)cn1 ZINC001575104425 1271721579 /nfs/dbraw/zinc/72/15/79/1271721579.db2.gz QXNKLPDMFFQHJZ-CHWSQXEVSA-N 0 3 371.445 0.608 20 30 FCEDHN CC#CCN1CCC(N(Cc2c[nH]nn2)C(=O)c2coc(C(N)=O)c2)CC1 ZINC001575122871 1271732762 /nfs/dbraw/zinc/73/27/62/1271732762.db2.gz MPUBSEQZAJJKBT-UHFFFAOYSA-N 0 3 370.413 0.627 20 30 FCEDHN CC#CCNC[C@@H]1CN(C(=O)c2cncc(-c3c[nH]nn3)c2)CCCO1 ZINC001575123255 1271735495 /nfs/dbraw/zinc/73/54/95/1271735495.db2.gz QGRPAHADCUPZEO-MRXNPFEDSA-N 0 3 354.414 0.711 20 30 FCEDHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC001575833643 1272498998 /nfs/dbraw/zinc/49/89/98/1272498998.db2.gz XPXYKLKWXORCGH-WMZOPIPTSA-N 0 3 357.458 0.495 20 30 FCEDHN C[C@@H](OCc1c[nH]nn1)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001575874508 1272539992 /nfs/dbraw/zinc/53/99/92/1272539992.db2.gz AENMRXYJQYWNJE-CZUORRHYSA-N 0 3 354.414 0.972 20 30 FCEDHN C[C@@H](OCc1cn[nH]n1)C(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001575878595 1272543445 /nfs/dbraw/zinc/54/34/45/1272543445.db2.gz VHYZFFUFYINKSL-UONOGXRCSA-N 0 3 359.405 0.995 20 30 FCEDHN C[C@H]1NCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@@H]1C ZINC001576893496 1273890650 /nfs/dbraw/zinc/89/06/50/1273890650.db2.gz LXWRQUKUSMWIRV-CHWSQXEVSA-N 0 3 350.444 0.701 20 30 FCEDHN Cn1cc(CN2CCC(N(Cc3c[nH]nn3)C(=O)C#CC3CC3)CC2)cn1 ZINC001577656482 1274661842 /nfs/dbraw/zinc/66/18/42/1274661842.db2.gz WVUJJPPOGPETOI-UHFFFAOYSA-N 0 3 367.457 0.945 20 30 FCEDHN COC[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)[C@@H](N)CCCC#N)CCO1 ZINC001578979706 1276539384 /nfs/dbraw/zinc/53/93/84/1276539384.db2.gz MPEKNWBIFMIJPR-SUMWQHHRSA-N 0 3 355.435 0.593 20 30 FCEDHN CS(=O)(=O)Nc1cccc2c1CCN(C(=O)[C@H](N)CCCC#N)C2 ZINC001579348220 1277203597 /nfs/dbraw/zinc/20/35/97/1277203597.db2.gz YGFGMUBKNWKSJE-CQSZACIVSA-N 0 3 350.444 0.964 20 30 FCEDHN COCC#CC[NH2+]C[C@@](C)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001579617737 1277662415 /nfs/dbraw/zinc/66/24/15/1277662415.db2.gz GEYRPCKIFVCWGB-QGZVFWFLSA-N 0 3 357.418 0.333 20 30 FCEDHN COCC#CC[NH2+]C[C@@](C)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001579617737 1277662422 /nfs/dbraw/zinc/66/24/22/1277662422.db2.gz GEYRPCKIFVCWGB-QGZVFWFLSA-N 0 3 357.418 0.333 20 30 FCEDHN COCC#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C12CCC2 ZINC001579618474 1277665231 /nfs/dbraw/zinc/66/52/31/1277665231.db2.gz KXYOUUKOYKOLPR-GJZGRUSLSA-N 0 3 369.429 0.475 20 30 FCEDHN COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)C#N)cc1-c1nnn[n-]1 ZINC001580014669 1277991090 /nfs/dbraw/zinc/99/10/90/1277991090.db2.gz IAIHDTSSYRXFRN-RYUDHWBXSA-N 0 3 357.418 0.971 20 30 FCEDHN COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)C#N)cc1-c1nnn[n-]1 ZINC001580022751 1277993297 /nfs/dbraw/zinc/99/32/97/1277993297.db2.gz OGBCZEVELNPOJT-NEPJUHHUSA-N 0 3 357.418 0.877 20 30 FCEDHN COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)C#N)cc1-c1nn[n-]n1 ZINC001580022751 1277993302 /nfs/dbraw/zinc/99/33/02/1277993302.db2.gz OGBCZEVELNPOJT-NEPJUHHUSA-N 0 3 357.418 0.877 20 30 FCEDHN C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C)cc(-c2nn[n-]n2)c1 ZINC001588349622 1282444946 /nfs/dbraw/zinc/44/49/46/1282444946.db2.gz UDCIMLWUIUQVFI-UHFFFAOYSA-N 0 3 355.402 0.185 20 30 FCEDHN C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(C)cc(-c2nn[n-]n2)c1 ZINC001588349622 1282444954 /nfs/dbraw/zinc/44/49/54/1282444954.db2.gz UDCIMLWUIUQVFI-UHFFFAOYSA-N 0 3 355.402 0.185 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588355192 1282454191 /nfs/dbraw/zinc/45/41/91/1282454191.db2.gz FZORPTQJHUNIQT-HOCLYGCPSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001588355192 1282454196 /nfs/dbraw/zinc/45/41/96/1282454196.db2.gz FZORPTQJHUNIQT-HOCLYGCPSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588355500 1282455719 /nfs/dbraw/zinc/45/57/19/1282455719.db2.gz IYYPGJNCEQAARG-CKEIUWERSA-N 0 3 368.441 0.842 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588355500 1282455726 /nfs/dbraw/zinc/45/57/26/1282455726.db2.gz IYYPGJNCEQAARG-CKEIUWERSA-N 0 3 368.441 0.842 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@H](C)NCc1cc(-c2nn[nH]n2)ccc1OC ZINC001588356480 1282461884 /nfs/dbraw/zinc/46/18/84/1282461884.db2.gz XSIDBYDMEAPGMA-STQMWFEESA-N 0 3 372.429 0.508 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588357636 1282467052 /nfs/dbraw/zinc/46/70/52/1282467052.db2.gz OASKYMHCIISBCB-QRTARXTBSA-N 0 3 368.441 0.889 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001588357636 1282467055 /nfs/dbraw/zinc/46/70/55/1282467055.db2.gz OASKYMHCIISBCB-QRTARXTBSA-N 0 3 368.441 0.889 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CCC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588358889 1282472200 /nfs/dbraw/zinc/47/22/00/1282472200.db2.gz WFIRLWLYAKQOSR-CQSZACIVSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CCC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588358889 1282472203 /nfs/dbraw/zinc/47/22/03/1282472203.db2.gz WFIRLWLYAKQOSR-CQSZACIVSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCOCCC(=O)N1CC[C@H]([N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588359598 1282474520 /nfs/dbraw/zinc/47/45/20/1282474520.db2.gz SUHDARFNWAIXPW-KRWDZBQOSA-N 0 3 368.441 0.939 20 30 FCEDHN C#CCOCCC(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588359598 1282474524 /nfs/dbraw/zinc/47/45/24/1282474524.db2.gz SUHDARFNWAIXPW-KRWDZBQOSA-N 0 3 368.441 0.939 20 30 FCEDHN C#CCn1cc(CNC[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC001588364174 1282489775 /nfs/dbraw/zinc/48/97/75/1282489775.db2.gz XUJKQIKATNNNFD-HNNXBMFYSA-N 0 3 353.386 0.226 20 30 FCEDHN C=C[C@](C)(O)CC(=O)NC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001588502176 1282537499 /nfs/dbraw/zinc/53/74/99/1282537499.db2.gz RHOBMFATUGZHAC-GTNSWQLSSA-N 0 3 362.409 0.927 20 30 FCEDHN C=C[C@](C)(O)CC(=O)NC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001588502176 1282537512 /nfs/dbraw/zinc/53/75/12/1282537512.db2.gz RHOBMFATUGZHAC-GTNSWQLSSA-N 0 3 362.409 0.927 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588507106 1282549432 /nfs/dbraw/zinc/54/94/32/1282549432.db2.gz BLBUQFIMYITGPV-QWQRMKEZSA-N 0 3 356.430 0.931 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001588507106 1282549440 /nfs/dbraw/zinc/54/94/40/1282549440.db2.gz BLBUQFIMYITGPV-QWQRMKEZSA-N 0 3 356.430 0.931 20 30 FCEDHN C=CCCC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588561846 1282566937 /nfs/dbraw/zinc/56/69/37/1282566937.db2.gz DIGSVZJLXCVCTI-CYBMUJFWSA-N 0 3 362.409 0.881 20 30 FCEDHN C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](OC)C1 ZINC001588578195 1282572768 /nfs/dbraw/zinc/57/27/68/1282572768.db2.gz YLNYVOKBOQVAMU-NILFDRSVSA-N 0 3 359.434 0.979 20 30 FCEDHN C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](OC)C1 ZINC001588578195 1282572775 /nfs/dbraw/zinc/57/27/75/1282572775.db2.gz YLNYVOKBOQVAMU-NILFDRSVSA-N 0 3 359.434 0.979 20 30 FCEDHN C=CCCC[N@H+]1CCC[C@@](CO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588601700 1282579847 /nfs/dbraw/zinc/57/98/47/1282579847.db2.gz SHRXJEWKVRQIFK-QGZVFWFLSA-N 0 3 359.434 0.718 20 30 FCEDHN C=CCCC[N@@H+]1CCC[C@@](CO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588601700 1282579859 /nfs/dbraw/zinc/57/98/59/1282579859.db2.gz SHRXJEWKVRQIFK-QGZVFWFLSA-N 0 3 359.434 0.718 20 30 FCEDHN C=CCCC[N@H+]1CCC[C@@](CO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588601700 1282579870 /nfs/dbraw/zinc/57/98/70/1282579870.db2.gz SHRXJEWKVRQIFK-QGZVFWFLSA-N 0 3 359.434 0.718 20 30 FCEDHN C=CCCC[N@@H+]1CCC[C@@](CO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588601700 1282579886 /nfs/dbraw/zinc/57/98/86/1282579886.db2.gz SHRXJEWKVRQIFK-QGZVFWFLSA-N 0 3 359.434 0.718 20 30 FCEDHN C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](C)C1 ZINC001588660152 1282615938 /nfs/dbraw/zinc/61/59/38/1282615938.db2.gz WVURJUIYQSXTHU-RYUDHWBXSA-N 0 3 372.433 0.080 20 30 FCEDHN C=CCOCC[NH+]1CCC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC1 ZINC001588683289 1282643429 /nfs/dbraw/zinc/64/34/29/1282643429.db2.gz PYPUNCAUIBCTPF-UHFFFAOYSA-N 0 3 371.445 0.935 20 30 FCEDHN C=CCOCC[NH+]1CCC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001588683289 1282643436 /nfs/dbraw/zinc/64/34/36/1282643436.db2.gz PYPUNCAUIBCTPF-UHFFFAOYSA-N 0 3 371.445 0.935 20 30 FCEDHN C=CCn1cc(C(=O)N[C@@H](C)C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)nn1 ZINC001588713375 1282658935 /nfs/dbraw/zinc/65/89/35/1282658935.db2.gz KQMUIBSICNAFCC-LBPRGKRZSA-N 0 3 367.417 0.552 20 30 FCEDHN C=CCn1cc(C(=O)N[C@@H](C)C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)nn1 ZINC001588713375 1282658940 /nfs/dbraw/zinc/65/89/40/1282658940.db2.gz KQMUIBSICNAFCC-LBPRGKRZSA-N 0 3 367.417 0.552 20 30 FCEDHN CN(CC[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)CSCC#N ZINC001591101618 1284169220 /nfs/dbraw/zinc/16/92/20/1284169220.db2.gz AFWNMJPDXIDQMG-UHFFFAOYSA-N 0 3 363.422 0.811 20 30 FCEDHN CN(CC[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)CSCC#N ZINC001591101618 1284169224 /nfs/dbraw/zinc/16/92/24/1284169224.db2.gz AFWNMJPDXIDQMG-UHFFFAOYSA-N 0 3 363.422 0.811 20 30 FCEDHN COC(=O)[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591252573 1284410075 /nfs/dbraw/zinc/41/00/75/1284410075.db2.gz LQGLBSAIZHCMBK-KGLIPLIRSA-N 0 3 354.370 0.570 20 30 FCEDHN COC(=O)[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591282705 1284438282 /nfs/dbraw/zinc/43/82/82/1284438282.db2.gz JIYQIKUAUPLVIA-LSDHHAIUSA-N 0 3 368.397 0.961 20 30 FCEDHN COCC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001591360258 1284496857 /nfs/dbraw/zinc/49/68/57/1284496857.db2.gz BSMKWPOBLFAGOT-OLZOCXBDSA-N 0 3 357.418 0.285 20 30 FCEDHN COCC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001591360258 1284496863 /nfs/dbraw/zinc/49/68/63/1284496863.db2.gz BSMKWPOBLFAGOT-OLZOCXBDSA-N 0 3 357.418 0.285 20 30 FCEDHN COCC#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001591363075 1284499687 /nfs/dbraw/zinc/49/96/87/1284499687.db2.gz YXOWIGCMRRQEKE-CZUORRHYSA-N 0 3 371.445 0.675 20 30 FCEDHN C[NH+](C)CCCNC(=S)NN=C1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001604687130 1287732681 /nfs/dbraw/zinc/73/26/81/1287732681.db2.gz YOACWAKJGUGVTD-UHFFFAOYSA-N 0 3 358.475 0.933 20 30 FCEDHN C[NH+](C)CCCNC(=S)NN=C1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001604687130 1287732690 /nfs/dbraw/zinc/73/26/90/1287732690.db2.gz YOACWAKJGUGVTD-UHFFFAOYSA-N 0 3 358.475 0.933 20 30 FCEDHN N#Cc1cnn(-c2ccc(C(=O)N3CC(N[C@H]4CCOC4)C3)cc2)c1N ZINC001597694470 1286355549 /nfs/dbraw/zinc/35/55/49/1286355549.db2.gz AEBUQBKWSLVPKU-AWEZNQCLSA-N 0 3 352.398 0.529 20 30 FCEDHN N#Cc1ccc(CNC[C@@H](O)CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)s1 ZINC001732650627 1288588845 /nfs/dbraw/zinc/58/88/45/1288588845.db2.gz GJNWPYVDWKSSQG-SHUKQUCYSA-N 0 3 365.455 0.238 20 30 FCEDHN C#CCNC(=O)CNC[C@H](NC(=O)[C@@H]1CCO[C@H]1C=C)C1CCCCC1 ZINC001698883065 1289538942 /nfs/dbraw/zinc/53/89/42/1289538942.db2.gz PGNZZWLQJRXODS-SQNIBIBYSA-N 0 3 361.486 0.982 20 30 FCEDHN C#CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001699064027 1289544213 /nfs/dbraw/zinc/54/42/13/1289544213.db2.gz AKPKJCMUVSZNFQ-GUDVDZBRSA-N 0 3 371.481 0.777 20 30 FCEDHN CN1CCN(CCn2c(C3CC3)nnc2N2CCO[C@@H](C#N)C2)CC1(C)C ZINC001618488417 1289914466 /nfs/dbraw/zinc/91/44/66/1289914466.db2.gz LPWCIVRZFVRXJW-INIZCTEOSA-N 0 3 373.505 0.910 20 30 FCEDHN C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCN(C)CCO)cc1 ZINC001623740244 1290234854 /nfs/dbraw/zinc/23/48/54/1290234854.db2.gz LNPOXRNSJUSZBI-GFCCVEGCSA-N 0 3 354.432 0.418 20 30 FCEDHN COCC#CCNCCNC(=O)[C@@H]1CCCN(C(=O)[C@]23C[C@H]2CCC3)C1 ZINC001752926720 1290615915 /nfs/dbraw/zinc/61/59/15/1290615915.db2.gz XAVSGEBPXFMUNP-MBOZVWFJSA-N 0 3 361.486 0.771 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC/C=C\CN[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001754183683 1290625578 /nfs/dbraw/zinc/62/55/78/1290625578.db2.gz ODNZEWCLERIPDD-FEGGOGSJSA-N 0 3 364.446 0.216 20 30 FCEDHN C=CCNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001754244896 1290626821 /nfs/dbraw/zinc/62/68/21/1290626821.db2.gz HHIRKNYMJQXVHI-IPYPFGDCSA-N 0 3 352.435 0.074 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2nn(CC)nc2C)C[C@H]1c1cnn(C)c1 ZINC001689037466 1294582520 /nfs/dbraw/zinc/58/25/20/1294582520.db2.gz BKVUQPQEXLWSOQ-JKSUJKDBSA-N 0 3 355.446 0.561 20 30 FCEDHN C=CCNC(=O)[C@@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001689091984 1294609522 /nfs/dbraw/zinc/60/95/22/1294609522.db2.gz YXRSNDXORCPXQR-NFAWXSAZSA-N 0 3 361.446 0.703 20 30 FCEDHN C=CCNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1cnco1 ZINC001689095854 1294613104 /nfs/dbraw/zinc/61/31/04/1294613104.db2.gz QYIZUUBOJTYUKJ-OLZOCXBDSA-N 0 3 363.418 0.517 20 30 FCEDHN N#CCSCC(=O)N1C[C@H]2CCN(CCN3CCNC3=O)C[C@H]2C1 ZINC001689212723 1294667335 /nfs/dbraw/zinc/66/73/35/1294667335.db2.gz UPHCRUYZSQRHRH-KGLIPLIRSA-N 0 3 351.476 0.049 20 30 FCEDHN C[C@H](NC(N)=O)C(=O)N1C[C@H]2CCN(Cc3cccc(C#N)c3)C[C@H]2C1 ZINC001689219727 1294675621 /nfs/dbraw/zinc/67/56/21/1294675621.db2.gz PSPLBMJTSAVHCC-XKQJLSEDSA-N 0 3 355.442 0.895 20 30 FCEDHN COCC#CCN1CC[C@@H]2CN(C(=O)c3nc(C)c(C)[nH]c3=O)C[C@@H]2C1 ZINC001689224154 1294679728 /nfs/dbraw/zinc/67/97/28/1294679728.db2.gz AIKLDAMSNSLKLX-CVEARBPZSA-N 0 3 358.442 0.430 20 30 FCEDHN C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3cnc[nH]3)C[C@@H]2C1 ZINC001689232284 1294691908 /nfs/dbraw/zinc/69/19/08/1294691908.db2.gz AORXBGDWEJPDNP-XHSDSOJGSA-N 0 3 357.458 0.118 20 30 FCEDHN COCC#CCN1CC[C@@H]2CN(C(=O)CC[C@]3(C)CCC(=O)N3)C[C@@H]2C1 ZINC001689239641 1294699985 /nfs/dbraw/zinc/69/99/85/1294699985.db2.gz VPYJLGZJKCOVEZ-UWVAXJGDSA-N 0 3 361.486 0.865 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(CCOC[C@H]3CCCO3)C[C@H]21 ZINC001690521261 1294870207 /nfs/dbraw/zinc/87/02/07/1294870207.db2.gz DCLRQBXDHHLALH-ZXLDYLNASA-N 0 3 350.459 0.820 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)NC(=O)NCCC ZINC001690630368 1294876101 /nfs/dbraw/zinc/87/61/01/1294876101.db2.gz MSDBQVHZQNHRSK-YDHLFZDLSA-N 0 3 354.451 0.298 20 30 FCEDHN C#CCNC(=O)CN1CCC[C@@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001690899855 1294890480 /nfs/dbraw/zinc/89/04/80/1294890480.db2.gz YWBJDLPTGPFENQ-ARFHVFGLSA-N 0 3 357.458 0.623 20 30 FCEDHN C=C(Cl)CNC[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1OCC ZINC001691752600 1294915255 /nfs/dbraw/zinc/91/52/55/1294915255.db2.gz HTSDDCMWFOCQRA-TZMCWYRMSA-N 0 3 354.838 0.600 20 30 FCEDHN C#Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2CNCC(=O)NC(=O)NC)cc1 ZINC001691834991 1294932462 /nfs/dbraw/zinc/93/24/62/1294932462.db2.gz WQSZHPZFAFPOCD-PBHICJAKSA-N 0 3 370.453 0.954 20 30 FCEDHN C[C@@H]1CCN(C(=O)Cc2ncccc2F)[C@H](CNCC(=O)NCC#N)C1 ZINC001691837522 1294934462 /nfs/dbraw/zinc/93/44/62/1294934462.db2.gz FNWLYAJABDBQNL-KGLIPLIRSA-N 0 3 361.421 0.620 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)CN(CC)CC)C1 ZINC001065632554 837403511 /nfs/dbraw/zinc/40/35/11/837403511.db2.gz TUPRGHIWHQWTGI-XHSDSOJGSA-N 0 3 353.463 0.263 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CS(=O)(=O)C2CCCC2)C[C@@H]1n1ccnn1 ZINC001070217439 837635691 /nfs/dbraw/zinc/63/56/91/837635691.db2.gz FDGPATXBTIECAE-CABCVRRESA-N 0 3 367.475 0.163 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2n[nH]c(C3CC3)c2Cl)C[C@@H]1n1ccnn1 ZINC001070226261 837636441 /nfs/dbraw/zinc/63/64/41/837636441.db2.gz YAIYEIWFTDITFV-NEPJUHHUSA-N 0 3 359.821 0.821 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cnn(C)c2C(F)F)C[C@@H]1n1ccnn1 ZINC001070308103 837645227 /nfs/dbraw/zinc/64/52/27/837645227.db2.gz BFNUMOUCMQLVLK-NEPJUHHUSA-N 0 3 351.361 0.791 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2COCCO2)CC1 ZINC001070365014 837649543 /nfs/dbraw/zinc/64/95/43/837649543.db2.gz DHYRMADKWYKAMW-VYDXJSESSA-N 0 3 351.447 0.063 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)[C@H](C)S(C)(=O)=O)C[C@H]1c1cn(C)cn1 ZINC001070504306 837655717 /nfs/dbraw/zinc/65/57/17/837655717.db2.gz OQIHQNUSUUJTQI-KCQAQPDRSA-N 0 3 354.476 0.313 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)C[C@H]1c1cncn1C ZINC001070719273 837676738 /nfs/dbraw/zinc/67/67/38/837676738.db2.gz WSPIOOZZDQGQKU-NFAWXSAZSA-N 0 3 352.460 0.067 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C2CC3(C2)NC(=O)NC3=O)C[C@H]1C(F)(F)F ZINC001099319329 844021484 /nfs/dbraw/zinc/02/14/84/844021484.db2.gz BQIKBSCJXXRQOP-OVAVYLEHSA-N 0 3 360.336 0.140 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)[C@H]2COCCN2C(C)=O)C[C@H]1C(F)(F)F ZINC001099346537 844037361 /nfs/dbraw/zinc/03/73/61/844037361.db2.gz QWCUJPIUENSLHM-MGPQQGTHSA-N 0 3 363.380 0.789 20 30 FCEDHN CCS(=O)(=O)NCCCN1C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@]2(C)C1 ZINC001101174557 844088911 /nfs/dbraw/zinc/08/89/11/844088911.db2.gz YPNJYJHZTHTQNR-LZWOXQAQSA-N 0 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ZINC001101960874 844349203 /nfs/dbraw/zinc/34/92/03/844349203.db2.gz OPQJHQAXMJSUNT-IXDOHACOSA-N 0 3 351.491 0.871 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)c2c(Cl)cnn2C)[C@H](C)C1 ZINC001101974903 844357256 /nfs/dbraw/zinc/35/72/56/844357256.db2.gz WARWDYCCFPXYLP-JHJVBQTASA-N 0 3 365.865 0.509 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN([C@@H](C)c3csnn3)C[C@H]2O)CC1 ZINC001078227301 839417175 /nfs/dbraw/zinc/41/71/75/839417175.db2.gz UAPRBNMXTLBFMP-JGGQBBKZSA-N 0 3 363.487 0.106 20 30 FCEDHN COCC#CCN1C[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@H](C)C1 ZINC001102173218 844434592 /nfs/dbraw/zinc/43/45/92/844434592.db2.gz UGKGBCCZGYZUET-DFBDCSAJSA-N 0 3 350.459 0.372 20 30 FCEDHN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1CN(CC(=O)N(C)C)C[C@H]1C ZINC001102438967 844498228 /nfs/dbraw/zinc/49/82/28/844498228.db2.gz LJIJSXILWHPLFR-BMFZPTHFSA-N 0 3 352.479 0.230 20 30 FCEDHN COCC#CCN1C[C@@H](CNC(=O)[C@H]2CCCCN2C(N)=O)[C@H](C)C1 ZINC001102504426 844537237 /nfs/dbraw/zinc/53/72/37/844537237.db2.gz 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/nfs/dbraw/zinc/54/50/51/491545051.db2.gz KIQUOYUGASIOCG-GOEBONIOSA-N 0 3 372.425 0.350 20 30 FCEDHN C[C@@H](CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)N1CCCC1 ZINC000575630387 491556090 /nfs/dbraw/zinc/55/60/90/491556090.db2.gz KBNJAMBPDIGUIN-ZDUSSCGKSA-N 0 3 367.413 0.678 20 30 FCEDHN CN(C)CCN1C[C@@H](C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1=O ZINC000561101253 491574521 /nfs/dbraw/zinc/57/45/21/491574521.db2.gz VBIPRXCCWJETKB-JKSUJKDBSA-N 0 3 371.441 0.343 20 30 FCEDHN Cc1nc(SCC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(C#N)c(C)c1C ZINC000568416050 491575551 /nfs/dbraw/zinc/57/55/51/491575551.db2.gz LPHDDKIEBALNSC-HIFRSBDPSA-N 0 3 373.482 0.741 20 30 FCEDHN N#Cc1ccccc1S(=O)(=O)NCC(=O)NCCN1CCCCCC1 ZINC000584387671 491585698 /nfs/dbraw/zinc/58/56/98/491585698.db2.gz MLWCAHLRGCYTOI-UHFFFAOYSA-N 0 3 364.471 0.829 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N(C)Cc2cn3c(n2)CCCC3)CC1 ZINC000561414828 491605534 /nfs/dbraw/zinc/60/55/34/491605534.db2.gz OTLRBXSCVUYTCU-UHFFFAOYSA-N 0 3 359.474 0.944 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NCc2cccc(-n3cncn3)c2)CC1 ZINC000561414734 491605871 /nfs/dbraw/zinc/60/58/71/491605871.db2.gz MUPFIBLMLZYOPB-UHFFFAOYSA-N 0 3 368.441 0.650 20 30 FCEDHN C=CCN1C(=O)c2ccc(C(=O)NC[C@@]3(O)CN4CCC3CC4)cc2C1=O ZINC000568879346 491616430 /nfs/dbraw/zinc/61/64/30/491616430.db2.gz ACXMSZUKGZRNDG-HXUWFJFHSA-N 0 3 369.421 0.655 20 30 FCEDHN N#Cc1ccc(S(=O)(=O)CCNCCCOC[C@H]2CCCO2)nc1 ZINC000561856391 491634879 /nfs/dbraw/zinc/63/48/79/491634879.db2.gz QVBVAKFGEPEDRL-OAHLLOKOSA-N 0 3 353.444 0.902 20 30 FCEDHN CS(=O)(=O)N1CC[C@H](NCc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000577758662 491650059 /nfs/dbraw/zinc/65/00/59/491650059.db2.gz KQTWJRNKUQOLED-INIZCTEOSA-N 0 3 374.470 0.982 20 30 FCEDHN C=CCn1cc(CNC(=O)C(=O)Nc2cc(CN(C)C)ccc2OC)nn1 ZINC000579104917 491690953 /nfs/dbraw/zinc/69/09/53/491690953.db2.gz QYGMEWVTHFAXST-UHFFFAOYSA-N 0 3 372.429 0.789 20 30 FCEDHN CN(C)[C@H](CNC(=O)C(=O)NC1CCN(CC#N)CC1)Cc1ccccc1 ZINC000585686821 491722016 /nfs/dbraw/zinc/72/20/16/491722016.db2.gz 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ZINC000582296869 491806209 /nfs/dbraw/zinc/80/62/09/491806209.db2.gz ZFGLNUBEXMKZBN-LSDHHAIUSA-N 0 3 362.426 0.900 20 30 FCEDHN CC(C)NS(=O)(=O)[C@@H]1CCN(C[C@H]2CNc3c(C#N)cnn3C2)C1 ZINC000583381914 491843780 /nfs/dbraw/zinc/84/37/80/491843780.db2.gz RXBKNVGTNHFGJR-TZMCWYRMSA-N 0 3 352.464 0.199 20 30 FCEDHN N#Cc1ccccc1OC[C@H](O)CNCc1cccc(OCC(N)=O)c1 ZINC000600730889 491879098 /nfs/dbraw/zinc/87/90/98/491879098.db2.gz SSZVLKGFNGAQGM-MRXNPFEDSA-N 0 3 355.394 0.952 20 30 FCEDHN CCN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)C1CCN(C)CC1 ZINC000600825436 491884773 /nfs/dbraw/zinc/88/47/73/491884773.db2.gz HGNPSGDSTZIAMH-UHFFFAOYSA-N 0 3 364.471 0.779 20 30 FCEDHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 ZINC000595194571 491898531 /nfs/dbraw/zinc/89/85/31/491898531.db2.gz PTCAWAYUUUJVTQ-CYBMUJFWSA-N 0 3 367.413 0.678 20 30 FCEDHN N#Cc1ccccc1N1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000595275219 491910667 /nfs/dbraw/zinc/91/06/67/491910667.db2.gz JTDJEIKZNNRASI-UHFFFAOYSA-N 0 3 367.413 0.544 20 30 FCEDHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccccc2CC#N)CC1=O ZINC000601582731 491936600 /nfs/dbraw/zinc/93/66/00/491936600.db2.gz MNLCPRUPNROFHE-INIZCTEOSA-N 0 3 358.442 0.662 20 30 FCEDHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cc(F)cc(C#N)c3)CC2)C1 ZINC000602028924 491957402 /nfs/dbraw/zinc/95/74/02/491957402.db2.gz ANDRGUKLLOHORJ-QGZVFWFLSA-N 0 3 373.432 0.874 20 30 FCEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnn(C[C@H](O)CO)c1 ZINC000596975376 492008045 /nfs/dbraw/zinc/00/80/45/492008045.db2.gz SANBHMILBMMBQP-SFHVURJKSA-N 0 3 371.441 0.312 20 30 FCEDHN C=CCCSCCNC(=O)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000597263841 492025598 /nfs/dbraw/zinc/02/55/98/492025598.db2.gz CNFCVEQPGAYVNF-HNNXBMFYSA-N 0 3 368.547 0.697 20 30 FCEDHN CCCN1CC[C@H](NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)C1 ZINC000597400798 492036140 /nfs/dbraw/zinc/03/61/40/492036140.db2.gz CGFOSMPYHUJHIE-KRWDZBQOSA-N 0 3 369.469 0.807 20 30 FCEDHN COc1cc(C#N)ccc1OCC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000598184626 492087804 /nfs/dbraw/zinc/08/78/04/492087804.db2.gz FWESSNIVEIHLBJ-UHFFFAOYSA-N 0 3 362.430 0.424 20 30 FCEDHN Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCN(CC4CC4)C3)CC2)c1C#N ZINC000615952994 492112402 /nfs/dbraw/zinc/11/24/02/492112402.db2.gz ZQXZZARHMGROFQ-MRXNPFEDSA-N 0 3 371.489 0.916 20 30 FCEDHN Cc1nc(NC(=O)[C@H]2CN3CCN2CCC3)n(-c2ccc(C#N)cc2)n1 ZINC000598685348 492114011 /nfs/dbraw/zinc/11/40/11/492114011.db2.gz FPXQZFDKIJYSQI-MRXNPFEDSA-N 0 3 351.414 0.198 20 30 FCEDHN CN(CCO)S(=O)(=O)c1ccccc1CNC[C@H](O)CC(C)(C)C#N ZINC000598720961 492116041 /nfs/dbraw/zinc/11/60/41/492116041.db2.gz REAKLXHYDODJJA-OAHLLOKOSA-N 0 3 369.487 0.690 20 30 FCEDHN C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC2(O)CCN(C)CC2)cc1 ZINC000607269595 492143063 /nfs/dbraw/zinc/14/30/63/492143063.db2.gz FTCJNESSLYKRDX-UHFFFAOYSA-N 0 3 374.441 0.114 20 30 FCEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC[C@@H](N3CCNC3=O)C2)cc1 ZINC000609635951 492217210 /nfs/dbraw/zinc/21/72/10/492217210.db2.gz ZSJOEOGPSFQZCN-SJORKVTESA-N 0 3 358.442 0.982 20 30 FCEDHN CCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C[C@@H]1CCOC1 ZINC000609631699 492217343 /nfs/dbraw/zinc/21/73/43/492217343.db2.gz ORLKXWAVDMQSGT-HNNXBMFYSA-N 0 3 361.446 0.862 20 30 FCEDHN N#Cc1cccc(CN2CCC(NC(=O)NC[C@H]3COCCN3)CC2)c1 ZINC000599923715 492217822 /nfs/dbraw/zinc/21/78/22/492217822.db2.gz YGEVIAZZZMNPSW-SFHVURJKSA-N 0 3 357.458 0.810 20 30 FCEDHN CN1CCC(O)(CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000610145064 492235967 /nfs/dbraw/zinc/23/59/67/492235967.db2.gz JYXBPECYLJYOFN-UHFFFAOYSA-N 0 3 372.473 0.678 20 30 FCEDHN CN1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3F)CC2)C1 ZINC000610916363 492269548 /nfs/dbraw/zinc/26/95/48/492269548.db2.gz KNJVPCSFVWXODX-OAHLLOKOSA-N 0 3 373.432 0.874 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CCO[C@@H](COCC)C2)CC1 ZINC000636676425 492657993 /nfs/dbraw/zinc/65/79/93/492657993.db2.gz HMLZYQMULYAPKQ-MRXNPFEDSA-N 0 3 353.463 0.407 20 30 FCEDHN CC#CC[C@@H](CO)NC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000645230395 492880453 /nfs/dbraw/zinc/88/04/53/492880453.db2.gz BHUKHEHSAKBYGM-KRWDZBQOSA-N 0 3 359.474 0.667 20 30 FCEDHN C=CC[C@@H]1CCCN(C(=O)C(=O)Nc2cnc(N3CCNCC3)nc2)C1 ZINC000659094535 493149114 /nfs/dbraw/zinc/14/91/14/493149114.db2.gz MPDJQEDIFYJKMW-CQSZACIVSA-N 0 3 358.446 0.639 20 30 FCEDHN O=C(NCC#CCNC(=O)[C@H]1CCCN1C1CC1)[C@H]1CCCN1C1CC1 ZINC000683869566 493375581 /nfs/dbraw/zinc/37/55/81/493375581.db2.gz QWDRXWWFBDZPNM-QZTJIDSGSA-N 0 3 358.486 0.476 20 30 FCEDHN CC1CCN(CC(=O)NCC#CCNC(=O)CN2CCC(C)CC2)CC1 ZINC000680340514 493714573 /nfs/dbraw/zinc/71/45/73/493714573.db2.gz JMRXCHUUHGFVJZ-UHFFFAOYSA-N 0 3 362.518 0.686 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC(=O)NC2CC2)cc1 ZINC000287052176 534290761 /nfs/dbraw/zinc/29/07/61/534290761.db2.gz GWOJYJXRBAWSBT-SNVBAGLBSA-N 0 3 350.400 0.772 20 30 FCEDHN C=CCc1cc(CNC(=O)C(=O)N2CCCNCC2)cc(OC)c1OC ZINC000419367777 534412302 /nfs/dbraw/zinc/41/23/02/534412302.db2.gz XSQDTTMWASRJIN-UHFFFAOYSA-N 0 3 361.442 0.870 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000425678565 534591113 /nfs/dbraw/zinc/59/11/13/534591113.db2.gz WMMIOAILFZCRME-IRXDYDNUSA-N 0 3 354.495 0.267 20 30 FCEDHN C=CCN1C(=O)C(=O)N(CC(=O)NCCN2CCCC[C@@H]2CC)C1=O ZINC000265003312 526396750 /nfs/dbraw/zinc/39/67/50/526396750.db2.gz SVCYIBLISDPJPY-ZDUSSCGKSA-N 0 3 350.419 0.344 20 30 FCEDHN C=CCN1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000178089863 526426994 /nfs/dbraw/zinc/42/69/94/526426994.db2.gz BGNDKHIBYHNATD-KRWDZBQOSA-N 0 3 363.506 0.585 20 30 FCEDHN C=CCN1CCC(NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000171695587 526434138 /nfs/dbraw/zinc/43/41/38/526434138.db2.gz KZFHMFRBDNYVAT-UHFFFAOYSA-N 0 3 366.487 0.826 20 30 FCEDHN C=CCNC(=O)CNC(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000180408249 526555857 /nfs/dbraw/zinc/55/58/57/526555857.db2.gz NWSRLWVVCSPOEA-UHFFFAOYSA-N 0 3 373.501 0.926 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CC1 ZINC000171621206 526579729 /nfs/dbraw/zinc/57/97/29/526579729.db2.gz NSYVEVLSDMQQCL-UHFFFAOYSA-N 0 3 369.429 0.758 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000408094712 526593590 /nfs/dbraw/zinc/59/35/90/526593590.db2.gz IIZMAIQSZSXLGK-OAHLLOKOSA-N 0 3 358.508 0.750 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)c2ccc(S(=O)(=O)NC)nc2)CC1 ZINC000185408033 526601203 /nfs/dbraw/zinc/60/12/03/526601203.db2.gz BYXFMCSJCUIGKH-UHFFFAOYSA-N 0 3 352.460 0.760 20 30 FCEDHN CN1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1 ZINC000453695455 536475573 /nfs/dbraw/zinc/47/55/73/536475573.db2.gz VSGAXJQXVTYXSC-LJQANCHMSA-N 0 3 374.441 0.857 20 30 FCEDHN C#CCN1CCC(C(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)CC1 ZINC000091750694 526932711 /nfs/dbraw/zinc/93/27/11/526932711.db2.gz GESOSJGECXLHRO-INIZCTEOSA-N 0 3 354.410 0.721 20 30 FCEDHN C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc1 ZINC000268212924 527052796 /nfs/dbraw/zinc/05/27/96/527052796.db2.gz KXJDSHBLWHHJPF-DYVFJYSZSA-N 0 3 361.467 0.811 20 30 FCEDHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccc(C)c2C#N)CC1 ZINC000174631761 529150632 /nfs/dbraw/zinc/15/06/32/529150632.db2.gz KQHDPSLCXROREC-HNNXBMFYSA-N 0 3 357.458 0.947 20 30 FCEDHN CN1CCC(O)(CNC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000329453722 546555234 /nfs/dbraw/zinc/55/52/34/546555234.db2.gz DJBVBFJECNILGR-SNVBAGLBSA-N 0 3 352.357 0.110 20 30 FCEDHN C[C@@H]1CN(C(C)(C)CNC(=O)NC[C@@H]2CN(C)CCN2C)C[C@H](C)O1 ZINC000329479410 546556026 /nfs/dbraw/zinc/55/60/26/546556026.db2.gz QMCNLWCOCWQUKX-OWCLPIDISA-N 0 3 355.527 0.624 20 30 FCEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]1CN(C)CCN1C ZINC000330242625 546591431 /nfs/dbraw/zinc/59/14/31/546591431.db2.gz GEVQDVSQGYGYAI-RDJZCZTQSA-N 0 3 353.511 0.331 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2C[C@@H](C(N)=O)C2)cc1 ZINC000593201163 546694064 /nfs/dbraw/zinc/69/40/64/546694064.db2.gz XZGPFFPNUNISSP-FOGDFJRCSA-N 0 3 350.400 0.758 20 30 FCEDHN N#CCCCC[C@H](N)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000594427986 546787865 /nfs/dbraw/zinc/78/78/65/546787865.db2.gz KEISREUJHWSOKD-HNNXBMFYSA-N 0 3 352.460 0.633 20 30 FCEDHN CN1CCN(C(C)(C)CNCCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000591739232 546939234 /nfs/dbraw/zinc/93/92/34/546939234.db2.gz BVWHVDKGILUOSX-UHFFFAOYSA-N 0 3 364.515 0.948 20 30 FCEDHN CN(CCN1CCCCC1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000593884954 546994268 /nfs/dbraw/zinc/99/42/68/546994268.db2.gz YRQQGXOPKJXQAV-UHFFFAOYSA-N 0 3 364.471 0.781 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@H]([S@@](=O)CC)C2)CC1 ZINC000553329764 547269353 /nfs/dbraw/zinc/26/93/53/547269353.db2.gz PGSLMGVPEFSZQC-TWKFVSLJSA-N 0 3 369.531 0.949 20 30 FCEDHN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-c3nnn[n-]3)cs2)c1C#N ZINC000826077185 608019810 /nfs/dbraw/zinc/01/98/10/608019810.db2.gz CXATXHJAAHWHKF-UHFFFAOYSA-N 0 3 357.403 0.927 20 30 FCEDHN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-c3nn[n-]n3)cs2)c1C#N ZINC000826077185 608019811 /nfs/dbraw/zinc/01/98/11/608019811.db2.gz CXATXHJAAHWHKF-UHFFFAOYSA-N 0 3 357.403 0.927 20 30 FCEDHN Cc1ncc(C=c2sc(=C(C#N)C#N)n(C3CCN(C)CC3)c2=O)s1 ZINC000255223259 663348955 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C=CCN1CC[C@H](N2C[C@@H]3CCN(C(=O)c4cn(CC)nn4)[C@@H]3C2)C1=O ZINC001076411227 1194462338 /nfs/dbraw/zinc/46/23/38/1194462338.db2.gz YJXMVYPVRUNRDN-CWRNSKLLSA-N 0 3 358.446 0.231 20 30 FCEDHN C#Cc1ccc(C(=O)N2CC[C@H]3CN([C@H]4CCN(CC=C)C4=O)C[C@H]32)nc1 ZINC001076475770 1194515321 /nfs/dbraw/zinc/51/53/21/1194515321.db2.gz DVZGLDGYUGGBOM-YTQUADARSA-N 0 3 364.449 0.996 20 30 FCEDHN C#Cc1ccccc1CC(=O)N1CC[C@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001076504941 1194529437 /nfs/dbraw/zinc/52/94/37/1194529437.db2.gz ZOPTVNWHUCPLAN-OKZBNKHCSA-N 0 3 365.433 0.548 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CCCc2ccccc2)C[C@H]1O ZINC001077158828 1195281188 /nfs/dbraw/zinc/28/11/88/1195281188.db2.gz AIVBDLGWVJYVTA-HSALFYBXSA-N 0 3 355.482 0.878 20 30 FCEDHN C#CCCCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC ZINC000908865485 1195772698 /nfs/dbraw/zinc/77/26/98/1195772698.db2.gz OWFZFPCINVHIQI-UHFFFAOYSA-N 0 3 358.490 0.998 20 30 FCEDHN C=CCCN1C[C@H]2OCCN(C(=O)CCNC(=O)c3cnccn3)[C@H]2C1 ZINC001219039458 1224310798 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0.946 20 30 FCEDHN COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000735592824 1197868043 /nfs/dbraw/zinc/86/80/43/1197868043.db2.gz GDKPODNFWVXZST-ZIAGYGMSSA-N 0 3 358.398 0.485 20 30 FCEDHN C[C@@H](O)C(=O)N1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000766266554 1198074840 /nfs/dbraw/zinc/07/48/40/1198074840.db2.gz DSYAAONFUWDLEC-OLZOCXBDSA-N 0 3 372.450 0.998 20 30 FCEDHN C#CCNC(=O)CC(=O)N[C@@H]1CN(CC[C@@H]2CCc3ccccc32)C[C@@H]1O ZINC001219492473 1224487037 /nfs/dbraw/zinc/48/70/37/1224487037.db2.gz NAEQCDQYWHQKNU-UHOSZYNNSA-N 0 3 369.465 0.407 20 30 FCEDHN C#CCCOc1ccc(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]2O)cc1 ZINC001219609079 1224526906 /nfs/dbraw/zinc/52/69/06/1224526906.db2.gz ACHSVAXZGMUHMT-IPELMVKDSA-N 0 3 358.438 0.900 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N1CCCC1)C2 ZINC001109589936 1200410267 /nfs/dbraw/zinc/41/02/67/1200410267.db2.gz KWOKVVQLXOHEAA-NCOADZHNSA-N 0 3 360.502 0.720 20 30 FCEDHN C[C@@H](CNC(=O)NCCNc1ccc(C#N)cn1)CN1CCN(C)CC1 ZINC000745528868 1200443034 /nfs/dbraw/zinc/44/30/34/1200443034.db2.gz KKLKZOGZMPFKLS-HNNXBMFYSA-N 0 3 359.478 0.548 20 30 FCEDHN C[C@H](CNC(=O)NCCNc1ccc(C#N)cn1)CN1CCN(C)CC1 ZINC000745528869 1200444079 /nfs/dbraw/zinc/44/40/79/1200444079.db2.gz KKLKZOGZMPFKLS-OAHLLOKOSA-N 0 3 359.478 0.548 20 30 FCEDHN CCCCCCN(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N ZINC001109858102 1200569253 /nfs/dbraw/zinc/56/92/53/1200569253.db2.gz UCWWJQDPWQMSIC-IKGGRYGDSA-N 0 3 363.506 0.860 20 30 FCEDHN CN(C)[C@@H](C(=O)N[C@@H]1CN(Cc2cc(F)ccc2C#N)C[C@@H]1O)C1CC1 ZINC001219804504 1224624377 /nfs/dbraw/zinc/62/43/77/1224624377.db2.gz YGHBNTGWCPQZCK-FGTMMUONSA-N 0 3 360.433 0.699 20 30 FCEDHN CN(C)[C@H](C(=O)N[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@@H]1O)C1CC1 ZINC001219804226 1224624466 /nfs/dbraw/zinc/62/44/66/1224624466.db2.gz PZJIDWAWNWBGLR-SQNIBIBYSA-N 0 3 360.433 0.699 20 30 FCEDHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCCNc1ncccc1C#N ZINC000787749111 1200900406 /nfs/dbraw/zinc/90/04/06/1200900406.db2.gz BJGZYTYHBGGRTJ-AWEZNQCLSA-N 0 3 358.446 0.472 20 30 FCEDHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCCNc1ncccc1C#N ZINC000787754908 1200902199 /nfs/dbraw/zinc/90/21/99/1200902199.db2.gz IEZHGCOHXSZGEH-HNNXBMFYSA-N 0 3 358.446 0.472 20 30 FCEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCNc1ncccc1C#N ZINC000787788465 1200911842 /nfs/dbraw/zinc/91/18/42/1200911842.db2.gz YXJYRJSGDBYNGA-GJZGRUSLSA-N 0 3 372.473 0.718 20 30 FCEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001086592736 1201120622 /nfs/dbraw/zinc/12/06/22/1201120622.db2.gz FLYJVMPMDPEEQW-ZWKOTPCHSA-N 0 3 355.438 0.453 20 30 FCEDHN CCCCCCN(C)CC(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O ZINC001090461438 1201190899 /nfs/dbraw/zinc/19/08/99/1201190899.db2.gz ILGFHRPBLWQJRH-HZPDHXFCSA-N 0 3 360.462 0.526 20 30 FCEDHN C[C@H](CNC(=O)C(=O)NCCNc1ccc(C#N)cn1)N1CCCCC1 ZINC000793708802 1201260596 /nfs/dbraw/zinc/26/05/96/1201260596.db2.gz KADQNAIKZUNJRH-CQSZACIVSA-N 0 3 358.446 0.472 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)Cn2nc(C)ccc2=O)[C@@H](n2ccnn2)C1 ZINC001129400729 1201305619 /nfs/dbraw/zinc/30/56/19/1201305619.db2.gz YVUCCOJNQRBDMQ-CVEARBPZSA-N 0 3 371.445 0.151 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)CCc2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001129470962 1201321564 /nfs/dbraw/zinc/32/15/64/1201321564.db2.gz RFDIKORYSZOIGB-SJORKVTESA-N 0 3 357.462 0.952 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)CC[C@]2(C)CCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001129497019 1201336072 /nfs/dbraw/zinc/33/60/72/1201336072.db2.gz YNAREINNZILSIM-RVKKMQEKSA-N 0 3 360.462 0.645 20 30 FCEDHN CC[C@H](C(=O)N[C@@H]1CN(Cc2cc(C#N)ccc2OC)C[C@@H]1O)N(C)C ZINC001219874882 1224666919 /nfs/dbraw/zinc/66/69/19/1224666919.db2.gz GXPYWVQBBXXUJS-ZACQAIPSSA-N 0 3 360.458 0.568 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)N1C[C@@H](NCCOCCCC)[C@@H](n2ccnn2)C1 ZINC001129795023 1201390746 /nfs/dbraw/zinc/39/07/46/1201390746.db2.gz AAUVZRNFGNEPNL-SOLBZPMBSA-N 0 3 365.478 0.763 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2cnnc(C)c2)C[C@@H]1n1ccnn1 ZINC001129782658 1201396143 /nfs/dbraw/zinc/39/61/43/1201396143.db2.gz MTERTYZAUVASPE-CVEARBPZSA-N 0 3 357.418 0.234 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2ccncc2C)C[C@@H]1n1ccnn1 ZINC001129816850 1201400469 /nfs/dbraw/zinc/40/04/69/1201400469.db2.gz KFMQQMRASDFOKL-SJORKVTESA-N 0 3 356.430 0.839 20 30 FCEDHN O=C(C#CC1CC1)N1C[C@@H](NCCO[C@@H]2CC2(F)F)[C@@H](n2ccnn2)C1 ZINC001129817343 1201400558 /nfs/dbraw/zinc/40/05/58/1201400558.db2.gz XOAMENIAJBRRCW-QLFBSQMISA-N 0 3 365.384 0.457 20 30 FCEDHN O=C(C#CC1CC1)N1C[C@@H](NCCOCC2CCC2)[C@@H](n2ccnn2)C1 ZINC001129816607 1201400681 /nfs/dbraw/zinc/40/06/81/1201400681.db2.gz FMTXJGLGFKVEEG-MSOLQXFVSA-N 0 3 357.458 0.850 20 30 FCEDHN CC(C)C#CC(=O)N1C[C@@H](NCCO[C@@H]2CC2(F)F)[C@@H](n2ccnn2)C1 ZINC001129822326 1201401442 /nfs/dbraw/zinc/40/14/42/1201401442.db2.gz QHVHWTIVMNWVHR-QLFBSQMISA-N 0 3 367.400 0.703 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1C[C@@H](NCCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001129830234 1201403460 /nfs/dbraw/zinc/40/34/60/1201403460.db2.gz 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C=CCN[C@@H]1CN(C(=O)CCCn2nc(C)nc2C)C[C@@H]1n1ccnn1 ZINC001130081430 1201492773 /nfs/dbraw/zinc/49/27/73/1201492773.db2.gz OCODPTBGKLYNKN-CVEARBPZSA-N 0 3 358.450 0.494 20 30 FCEDHN C#CCCN[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CC)C[C@@H]1n1ccnn1 ZINC001130077733 1201495578 /nfs/dbraw/zinc/49/55/78/1201495578.db2.gz WVQKXMCPWDDVQX-XHSDSOJGSA-N 0 3 358.446 0.044 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CNC(=O)c2ccccc2C)C[C@@H]1n1ccnn1 ZINC001130114995 1201505805 /nfs/dbraw/zinc/50/58/05/1201505805.db2.gz OEPZQRLWHRQQTG-SJORKVTESA-N 0 3 368.441 0.544 20 30 FCEDHN C=CCCOCC(=O)N1C[C@@H](NCCn2cccn2)[C@@H](n2ccnn2)C1 ZINC001130151583 1201518295 /nfs/dbraw/zinc/51/82/95/1201518295.db2.gz YOGYQTBYKGLSCT-CVEARBPZSA-N 0 3 359.434 0.109 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCn2cccn2)[n-]1 ZINC001130187019 1201527887 /nfs/dbraw/zinc/52/78/87/1201527887.db2.gz SDHGRAPRGVYRPQ-GJZGRUSLSA-N 0 3 371.445 0.193 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H]2CCCO2)[n-]1 ZINC001130187997 1201529305 /nfs/dbraw/zinc/52/93/05/1201529305.db2.gz TZCHVYQHTGIVLW-KKUMJFAQSA-N 0 3 361.446 0.475 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cncc(C)c2)[n-]1 ZINC001130196001 1201532779 /nfs/dbraw/zinc/53/27/79/1201532779.db2.gz NIAMZMQSPXXFSG-GJZGRUSLSA-N 0 3 354.414 0.533 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H]2CCOC2)[n-]1 ZINC001130198585 1201535297 /nfs/dbraw/zinc/53/52/97/1201535297.db2.gz PQWXXSLJUATZPG-KKUMJFAQSA-N 0 3 361.446 0.333 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c[nH]c(C#N)c2)[n-]1 ZINC001130205326 1201540839 /nfs/dbraw/zinc/54/08/39/1201540839.db2.gz VYGBEWRCXHBQCT-KBPBESRZSA-N 0 3 353.386 0.030 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)nnc2C)[n-]1 ZINC001130215734 1201546034 /nfs/dbraw/zinc/54/60/34/1201546034.db2.gz DJIRXSQTRXNXAL-ZFWWWQNUSA-N 0 3 369.429 0.237 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2cnc(C)o2)[n-]1 ZINC001130216398 1201547063 /nfs/dbraw/zinc/54/70/63/1201547063.db2.gz WLTBJTMSXRHJIR-KBPBESRZSA-N 0 3 358.402 0.055 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCC2(F)F)[n-]1 ZINC001130221155 1201550767 /nfs/dbraw/zinc/55/07/67/1201550767.db2.gz XJXSCLWSJTWEDO-AVGNSLFASA-N 0 3 367.400 0.952 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C)c(C)n2)[n-]1 ZINC001130223484 1201553427 /nfs/dbraw/zinc/55/34/27/1201553427.db2.gz WLJVOXZUZIIGMF-HOCLYGCPSA-N 0 3 368.441 0.842 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2occc2C)[n-]1 ZINC001130234690 1201558037 /nfs/dbraw/zinc/55/80/37/1201558037.db2.gz ICFCUQUETYAPKN-ZFWWWQNUSA-N 0 3 357.414 0.660 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2n[nH]cc2F)[n-]1 ZINC001130232738 1201558208 /nfs/dbraw/zinc/55/82/08/1201558208.db2.gz PTZSTQUBXFTELE-JQWIXIFHSA-N 0 3 361.381 0.082 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C3CC3)n[nH]2)[n-]1 ZINC001130240571 1201561523 /nfs/dbraw/zinc/56/15/23/1201561523.db2.gz VHRPOVVMPLYGLC-WFASDCNBSA-N 0 3 369.429 0.431 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2C2CC2)[n-]1 ZINC001130242398 1201562837 /nfs/dbraw/zinc/56/28/37/1201562837.db2.gz VFMXVIQJCKZUDM-JONQDZQNSA-N 0 3 357.458 0.952 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)Cc2ccco2)[n-]1 ZINC001130242295 1201562851 /nfs/dbraw/zinc/56/28/51/1201562851.db2.gz QAVITZLTBDCHFL-KBMXLJTQSA-N 0 3 371.441 0.988 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C2CC2)C2CC2)[n-]1 ZINC001130245994 1201566192 /nfs/dbraw/zinc/56/61/92/1201566192.db2.gz AUCZUVWXNMOUFS-GJZGRUSLSA-N 0 3 357.458 0.952 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c[nH]cc2C)[n-]1 ZINC001130249134 1201568834 /nfs/dbraw/zinc/56/88/34/1201568834.db2.gz LINTYDFPEGQLJL-ZFWWWQNUSA-N 0 3 356.430 0.857 20 30 FCEDHN CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCCN2CCCC2=O)C1 ZINC001130590624 1202726139 /nfs/dbraw/zinc/72/61/39/1202726139.db2.gz ZXEWIQRWWLCUCR-FUHWJXTLSA-N 0 3 371.485 0.586 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1c1cn(C)cn1 ZINC001130632568 1202739744 /nfs/dbraw/zinc/73/97/44/1202739744.db2.gz GMYJRYMECZIBTR-DOTOQJQBSA-N 0 3 354.458 0.694 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)CCCCc2c[nH]nn2)C[C@H]1c1cn(C)cn1 ZINC001130635098 1202740188 /nfs/dbraw/zinc/74/01/88/1202740188.db2.gz IUQJMVIOVRCYHH-DOTOQJQBSA-N 0 3 355.446 0.468 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H](CC(=C)C)NC(C)=O)C[C@H]1c1cn(C)cn1 ZINC001130687786 1202753910 /nfs/dbraw/zinc/75/39/10/1202753910.db2.gz QJUWNUGUTCYGDS-XYJFISCASA-N 0 3 359.474 0.961 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccccn3)n[n-]2)O1 ZINC001130749684 1202775850 /nfs/dbraw/zinc/77/58/50/1202775850.db2.gz MIMBXISDILNVBX-DZGCQCFKSA-N 0 3 354.414 0.963 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3ccccn3)n2)O1 ZINC001130749684 1202775852 /nfs/dbraw/zinc/77/58/52/1202775852.db2.gz MIMBXISDILNVBX-DZGCQCFKSA-N 0 3 354.414 0.963 20 30 FCEDHN C=CCCC(=O)NCc1n[n-]c([C@H]2CC[C@@H](C[NH2+][C@H](C)C(=O)NC)O2)n1 ZINC001130767388 1202785043 /nfs/dbraw/zinc/78/50/43/1202785043.db2.gz HDHZFWRTBPOTON-FRRDWIJNSA-N 0 3 364.450 0.331 20 30 FCEDHN C=CCCC(=O)NCc1n[n-]c([C@H]2CC[C@@H](C[NH2+][C@@H](C)C(=O)NC)O2)n1 ZINC001130767390 1202785256 /nfs/dbraw/zinc/78/52/56/1202785256.db2.gz HDHZFWRTBPOTON-RWMBFGLXSA-N 0 3 364.450 0.331 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](OCC)C(C)C)n[n-]2)O1 ZINC001130785424 1202789472 /nfs/dbraw/zinc/78/94/72/1202789472.db2.gz LXXCLTAPUVYTAK-LZWOXQAQSA-N 0 3 363.462 0.925 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@@H](OCC)C(C)C)n2)O1 ZINC001130785424 1202789474 /nfs/dbraw/zinc/78/94/74/1202789474.db2.gz LXXCLTAPUVYTAK-LZWOXQAQSA-N 0 3 363.462 0.925 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C=Cc3ccc[nH]3)n[n-]2)O1 ZINC001130777179 1202791220 /nfs/dbraw/zinc/79/12/20/1202791220.db2.gz VNUGJMZSZLWQDU-YKHJJTLOSA-N 0 3 354.414 0.905 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)C=Cc3ccc[nH]3)n2)O1 ZINC001130777179 1202791224 /nfs/dbraw/zinc/79/12/24/1202791224.db2.gz VNUGJMZSZLWQDU-YKHJJTLOSA-N 0 3 354.414 0.905 20 30 FCEDHN C#CCCCNC(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000806913862 1202793908 /nfs/dbraw/zinc/79/39/08/1202793908.db2.gz HZYGCCRBFHEXJV-UHFFFAOYSA-N 0 3 357.454 0.789 20 30 FCEDHN C#CCCCNC(=O)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000806916291 1202794137 /nfs/dbraw/zinc/79/41/37/1202794137.db2.gz WTECJVJDTTZMEO-UHFFFAOYSA-N 0 3 370.497 0.792 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cn(C(C)C)cn3)n[n-]2)O1 ZINC001130796079 1202796024 /nfs/dbraw/zinc/79/60/24/1202796024.db2.gz HKPCZBYECWXTBB-DZGCQCFKSA-N 0 3 371.445 0.955 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cn(C(C)C)cn3)n2)O1 ZINC001130796079 1202796029 /nfs/dbraw/zinc/79/60/29/1202796029.db2.gz HKPCZBYECWXTBB-DZGCQCFKSA-N 0 3 371.445 0.955 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3c(C)n[nH]c3C)n[n-]2)O1 ZINC001130811902 1202805085 /nfs/dbraw/zinc/80/50/85/1202805085.db2.gz RACZJNAPJSDSBI-UONOGXRCSA-N 0 3 371.445 0.908 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3c(C)n[nH]c3C)n2)O1 ZINC001130811902 1202805087 /nfs/dbraw/zinc/80/50/87/1202805087.db2.gz RACZJNAPJSDSBI-UONOGXRCSA-N 0 3 371.445 0.908 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ncccn3)n[n-]2)O1 ZINC001130812886 1202805604 /nfs/dbraw/zinc/80/56/04/1202805604.db2.gz DIUSSOHXPDCNMQ-QWHCGFSZSA-N 0 3 355.402 0.358 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3ncccn3)n2)O1 ZINC001130812886 1202805605 /nfs/dbraw/zinc/80/56/05/1202805605.db2.gz DIUSSOHXPDCNMQ-QWHCGFSZSA-N 0 3 355.402 0.358 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3nocc3C)n[n-]2)O1 ZINC001130815871 1202806720 /nfs/dbraw/zinc/80/67/20/1202806720.db2.gz DHCYIGQAQSHNTQ-QWHCGFSZSA-N 0 3 358.402 0.864 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3nocc3C)n2)O1 ZINC001130815871 1202806722 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0 3 352.442 0.853 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H]2COCCN2CC)C[C@H]1c1cncn1C ZINC001131022606 1202846880 /nfs/dbraw/zinc/84/68/80/1202846880.db2.gz BZBVSWHHXNHJKG-NUJGCVRESA-N 0 3 359.474 0.048 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2cnn3c2OCCC3)C[C@H]1c1cncn1C ZINC001131025783 1202847612 /nfs/dbraw/zinc/84/76/12/1202847612.db2.gz BVFQPNLHEILFMF-HZPDHXFCSA-N 0 3 368.441 0.620 20 30 FCEDHN C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1c1cncn1C ZINC001131051108 1202851055 /nfs/dbraw/zinc/85/10/55/1202851055.db2.gz CBUPFLHWJZRYFE-ZIAGYGMSSA-N 0 3 354.414 0.445 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCC)C2)C[C@H]1c1cncn1C ZINC001131079833 1202858669 /nfs/dbraw/zinc/85/86/69/1202858669.db2.gz XIEADVAQRAJNDZ-GVDBMIGSSA-N 0 3 371.485 0.586 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1c1cncn1C ZINC001131074015 1202859297 /nfs/dbraw/zinc/85/92/97/1202859297.db2.gz VANUFACCNGNABG-QKPAOTATSA-N 0 3 357.458 0.229 20 30 FCEDHN 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C#CCN1CCC(C(=O)N[C@H]2CCN(c3nccc(OC)n3)[C@@H]2C)CC1 ZINC001050358117 1216311996 /nfs/dbraw/zinc/31/19/96/1216311996.db2.gz GSBZBFOGISHPSK-ZBFHGGJFSA-N 0 3 357.458 0.914 20 30 FCEDHN C[C@@H]1[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CCN1c1ccncc1C#N ZINC001051291557 1216426805 /nfs/dbraw/zinc/42/68/05/1216426805.db2.gz ZAXHQWOOMRLOIE-GHKGJAPESA-N 0 3 367.453 0.900 20 30 FCEDHN CN(C)[C@H](C(=O)N1C[C@H]2CN(c3cnc(C#N)cn3)C[C@@]2(C)C1)C1CC1 ZINC001052463284 1216558437 /nfs/dbraw/zinc/55/84/37/1216558437.db2.gz QMUMIAYZKYOSMG-LJHODMEESA-N 0 3 354.458 0.973 20 30 FCEDHN C#CCN(CC(=O)NC[C@@H](C)N1CCN(CC)CC1)C(=O)OC(C)(C)C ZINC000827500573 1216621974 /nfs/dbraw/zinc/62/19/74/1216621974.db2.gz DEAIVYPZHBODKV-MRXNPFEDSA-N 0 3 366.506 0.999 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CN(C(=O)CN(C)CCC)CCO2 ZINC001068421666 1216735801 /nfs/dbraw/zinc/73/58/01/1216735801.db2.gz ZTHMQKWKCMRRQK-CVEARBPZSA-N 0 3 365.474 0.359 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)C[C@H](NC(=O)CN(CC)CC)CO2 ZINC001068878207 1216764057 /nfs/dbraw/zinc/76/40/57/1216764057.db2.gz DJEILSSPXWQEJR-XHSDSOJGSA-N 0 3 365.474 0.405 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccnc3ccnn32)[C@@H](n2ccnn2)C1 ZINC001069945922 1216859525 /nfs/dbraw/zinc/85/95/25/1216859525.db2.gz DNJBFSRKPHJTHR-ZBFHGGJFSA-N 0 3 366.429 0.942 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)Cc2cn(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001069947181 1216860570 /nfs/dbraw/zinc/86/05/70/1216860570.db2.gz OVBOYEYXVSJNRN-SJORKVTESA-N 0 3 357.462 0.870 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)Cc2cc(CC)nn2C)[C@@H](n2ccnn2)C1 ZINC001069983820 1216883557 /nfs/dbraw/zinc/88/35/57/1216883557.db2.gz OZQKDCAWJTUPRK-SJORKVTESA-N 0 3 357.462 0.734 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)C[C@@H]2CCC(=O)N2C)[C@@H](n2ccnn2)C1 ZINC001069993793 1216888544 /nfs/dbraw/zinc/88/85/44/1216888544.db2.gz ONILBBOOXCAVPY-XHSDSOJGSA-N 0 3 360.462 0.597 20 30 FCEDHN CC#CCN1C[C@@H](NC(=O)[C@H]2CCCc3[nH]cnc32)[C@@H](n2ccnn2)C1 ZINC001070023313 1216901237 /nfs/dbraw/zinc/90/12/37/1216901237.db2.gz LJFQWBNZSOBAHU-IMJJTQAJSA-N 0 3 353.430 0.486 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)c2nccn3ccnc23)[C@@H](n2ccnn2)C1 ZINC001070027345 1216905356 /nfs/dbraw/zinc/90/53/56/1216905356.db2.gz ALOQWULWFPKDJW-CABCVRRESA-N 0 3 366.429 0.942 20 30 FCEDHN C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)[C@H](C)Cc3cnc[nH]3)C[C@@H]21 ZINC001223652662 1225724435 /nfs/dbraw/zinc/72/44/35/1225724435.db2.gz WBUZBXGBFGGPDI-INMHGKMJSA-N 0 3 357.458 0.261 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@H]2C)CC1 ZINC001042002963 1217377340 /nfs/dbraw/zinc/37/73/40/1217377340.db2.gz XNRSKRZKSWGGJJ-RHSMWYFYSA-N 0 3 352.442 0.634 20 30 FCEDHN C[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001042680955 1217445464 /nfs/dbraw/zinc/44/54/64/1217445464.db2.gz XYCSUADWROYQCY-BITQOXIPSA-N 0 3 367.453 0.757 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@H]2OC)CC1 ZINC001042842747 1217480945 /nfs/dbraw/zinc/48/09/45/1217480945.db2.gz DVUDYSLZYNONKJ-HZPDHXFCSA-N 0 3 368.441 0.013 20 30 FCEDHN CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001042933551 1217521754 /nfs/dbraw/zinc/52/17/54/1217521754.db2.gz HAGXMSUYBNQRKQ-JFIYKMOQSA-N 0 3 370.457 0.542 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001043245860 1217606835 /nfs/dbraw/zinc/60/68/35/1217606835.db2.gz XSTAEISKNMRAHU-JYJNAYRXSA-N 0 3 367.490 0.243 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C(C)(C)N(C)CC)C1 ZINC001043612339 1217683513 /nfs/dbraw/zinc/68/35/13/1217683513.db2.gz GRMBUUJBDNJACV-GJZGRUSLSA-N 0 3 367.490 0.387 20 30 FCEDHN C[C@H]1CCN(CC(=O)N2CCO[C@@H]3CN(c4ccncc4C#N)C[C@@H]32)C1 ZINC001043791466 1217744939 /nfs/dbraw/zinc/74/49/39/1217744939.db2.gz QDOUDJJISQSCDE-JCGIZDLHSA-N 0 3 355.442 0.711 20 30 FCEDHN C[C@@H]1CCN(CC(=O)N2CCO[C@@H]3CN(c4ccncc4C#N)C[C@@H]32)C1 ZINC001043791464 1217745064 /nfs/dbraw/zinc/74/50/64/1217745064.db2.gz QDOUDJJISQSCDE-FHLIZLRMSA-N 0 3 355.442 0.711 20 30 FCEDHN CN(CC(=O)N1CCO[C@@H]2CN(c3ccncc3C#N)C[C@@H]21)C1CCC1 ZINC001043812380 1217751693 /nfs/dbraw/zinc/75/16/93/1217751693.db2.gz MHSQKOSBRMGJMN-ZWKOTPCHSA-N 0 3 355.442 0.854 20 30 FCEDHN CN(C)Cc1cccc(C(=O)N[C@@H]2CN(c3ncccc3C#N)C[C@@H]2O)c1 ZINC001043989479 1217787653 /nfs/dbraw/zinc/78/76/53/1217787653.db2.gz WODBNCHTJJHCBL-MSOLQXFVSA-N 0 3 365.437 0.994 20 30 FCEDHN CN(C)Cc1cccc(C(=O)N[C@@H]2CN(c3ccncc3C#N)C[C@@H]2O)c1 ZINC001043989227 1217787859 /nfs/dbraw/zinc/78/78/59/1217787859.db2.gz PGXWBHZUUATWSA-MJGOQNOKSA-N 0 3 365.437 0.994 20 30 FCEDHN Cc1cc(N2C[C@@H](NC(=O)[C@@H]3CCCN3C(C)C)[C@@H](O)C2)c(C#N)cn1 ZINC001044190919 1217814982 /nfs/dbraw/zinc/81/49/82/1217814982.db2.gz HDFQNIYKMCMLLL-RYRKJORJSA-N 0 3 357.458 0.800 20 30 FCEDHN C[C@H](C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O)N1CCCCCC1 ZINC001044197901 1217816492 /nfs/dbraw/zinc/81/64/92/1217816492.db2.gz DYBOJONYJGEDBP-KYJSFNMBSA-N 0 3 357.458 0.883 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cccnc1 ZINC001224507071 1225781512 /nfs/dbraw/zinc/78/15/12/1225781512.db2.gz HLYVDEWBPKGFGC-HUUCEWRRSA-N 0 3 359.430 0.724 20 30 FCEDHN C=CCN1CC[C@H](N2CCN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)CC2)C1 ZINC001046061089 1217992129 /nfs/dbraw/zinc/99/21/29/1217992129.db2.gz HWDXNZWLYJHRQD-YESZJQIVSA-N 0 3 364.490 0.027 20 30 FCEDHN O=C(CN1CCCC1)N1CCN(C(=O)c2cccc(C#CCO)c2)CC1 ZINC000900561407 1218005313 /nfs/dbraw/zinc/00/53/13/1218005313.db2.gz QTRKDBCWWUYAHD-UHFFFAOYSA-N 0 3 355.438 0.411 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cccn1C ZINC001224795657 1225793557 /nfs/dbraw/zinc/79/35/57/1225793557.db2.gz AVMZHBKRQWTDPM-ZIAGYGMSSA-N 0 3 361.446 0.668 20 30 FCEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N(C)CC(=O)NCCC ZINC001225308279 1225806676 /nfs/dbraw/zinc/80/66/76/1225806676.db2.gz XAWXQPRBBXGIEL-HZPDHXFCSA-N 0 3 366.506 0.954 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)CN(C)CCC)C[C@@H]1O ZINC001048920710 1218340947 /nfs/dbraw/zinc/34/09/47/1218340947.db2.gz UPHFIKAURWPYSM-QZWWFDLISA-N 0 3 367.490 0.340 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CN(C)C(C)C)C1 ZINC001048976630 1218357367 /nfs/dbraw/zinc/35/73/67/1218357367.db2.gz CPVBDLSOFPNJEM-OVWQWFNUSA-N 0 3 367.490 0.338 20 30 FCEDHN CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001225542645 1225814836 /nfs/dbraw/zinc/81/48/36/1225814836.db2.gz MHALLJFKXRKZGW-CHWSQXEVSA-N 0 3 360.418 0.363 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CO[C@H](C)CC ZINC001225707536 1225819833 /nfs/dbraw/zinc/81/98/33/1225819833.db2.gz IHNVWLBIRHTQBL-RBSFLKMASA-N 0 3 368.478 0.830 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)COC(C)(C)C ZINC001225770970 1225822561 /nfs/dbraw/zinc/82/25/61/1225822561.db2.gz HNBNCDLDIRHEAN-ZIAGYGMSSA-N 0 3 368.478 0.830 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CCN2CCN1CCNC1=O ZINC001049732939 1218539764 /nfs/dbraw/zinc/53/97/64/1218539764.db2.gz UAAKTGNJJWILCY-NCOADZHNSA-N 0 3 362.474 0.668 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ncnn2C)CC1 ZINC001096607421 1218575521 /nfs/dbraw/zinc/57/55/21/1218575521.db2.gz BFGJRLOSQZEOMS-IKGGRYGDSA-N 0 3 356.474 0.382 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ncnn2CC)CC1 ZINC001096608477 1218576265 /nfs/dbraw/zinc/57/62/65/1218576265.db2.gz XPBLVGOQENZEBJ-SQNIBIBYSA-N 0 3 370.501 0.865 20 30 FCEDHN CC(C)C#CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N[C@@H](C)C(=O)N(C)C ZINC001226073010 1225832620 /nfs/dbraw/zinc/83/26/20/1225832620.db2.gz KUAWCBXNZVSRGF-ARFHVFGLSA-N 0 3 364.490 0.256 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCN1CCCC1=O ZINC001097248567 1218748172 /nfs/dbraw/zinc/74/81/72/1218748172.db2.gz AONYOIVRIGAAOW-YRXWBPOGSA-N 0 3 372.513 0.818 20 30 FCEDHN CC(C)Cn1nccc1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N ZINC001226505385 1225845492 /nfs/dbraw/zinc/84/54/92/1225845492.db2.gz YIEKTBWYRKDCFE-HUUCEWRRSA-N 0 3 360.462 0.809 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC(=O)N(C(C)C)C1 ZINC001226564009 1225846985 /nfs/dbraw/zinc/84/69/85/1225846985.db2.gz GTYWMTCHNUEWOO-ARFHVFGLSA-N 0 3 364.490 0.563 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)N(CC)CC)CC1 ZINC001111455005 1218846754 /nfs/dbraw/zinc/84/67/54/1218846754.db2.gz HSKMYJRUNGXFKJ-QRVBRYPASA-N 0 3 374.529 0.922 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1cc(C2CC2)no1 ZINC001226738750 1225853046 /nfs/dbraw/zinc/85/30/46/1225853046.db2.gz HGJOTOUCMIPMPD-HUUCEWRRSA-N 0 3 359.430 0.751 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnc2nccnc2c1 ZINC001226837439 1225855516 /nfs/dbraw/zinc/85/55/16/1225855516.db2.gz IOQQJDNMGDVJMO-ZIAGYGMSSA-N 0 3 367.413 0.295 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC001226837477 1225855702 /nfs/dbraw/zinc/85/57/02/1225855702.db2.gz KBUJRHBUEUHVMN-CHWSQXEVSA-N 0 3 370.413 0.539 20 30 FCEDHN C=C(C)CN1C[C@@]2(CC1=O)CCCCN2Cc1cn(C)c(=O)n(C)c1=O ZINC001277177841 1225862253 /nfs/dbraw/zinc/86/22/53/1225862253.db2.gz HIUDIEBIIPZWLS-IBGZPJMESA-N 0 3 360.458 0.617 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2cncn2C1 ZINC001227165750 1225865251 /nfs/dbraw/zinc/86/52/51/1225865251.db2.gz QFVLZLVSIRSWNU-USXIJHARSA-N 0 3 357.458 0.212 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)nnn2C ZINC001227073064 1225862941 /nfs/dbraw/zinc/86/29/41/1225862941.db2.gz GYWRYTHUPAYGEQ-HUUCEWRRSA-N 0 3 368.441 0.348 20 30 FCEDHN CC(C)(C)C#CC(=O)NC1CCN(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055575147 1219084244 /nfs/dbraw/zinc/08/42/44/1219084244.db2.gz OORHWYSLDZRIHG-HUUCEWRRSA-N 0 3 364.446 0.398 20 30 FCEDHN C=CCOc1ccccc1CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804053151 1219106997 /nfs/dbraw/zinc/10/69/97/1219106997.db2.gz HMCQBGOEIGPYBB-DLBZAZTESA-N 0 3 373.453 0.847 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)c2cccn3c(=O)[nH]nc23)[C@@H](n2ccnn2)C1 ZINC001070074741 1219141923 /nfs/dbraw/zinc/14/19/23/1219141923.db2.gz ITUUIQAARUMVMS-KGLIPLIRSA-N 0 3 368.401 0.258 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)[C@H](CC)N(C)C)CCOCC1 ZINC001070173978 1219265636 /nfs/dbraw/zinc/26/56/36/1219265636.db2.gz SMXBMPFGZQJARR-PMPSAXMXSA-N 0 3 367.490 0.699 20 30 FCEDHN CCc1cc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)c(C)nn1 ZINC001227713014 1225882457 /nfs/dbraw/zinc/88/24/57/1225882457.db2.gz MFPFKZQPADDLPA-HZPDHXFCSA-N 0 3 358.446 0.618 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cc2nn(C)c3ccccc23)C[C@@H]1n1ccnn1 ZINC001070193695 1219286038 /nfs/dbraw/zinc/28/60/38/1219286038.db2.gz MLACAGWKSHDJET-AEFFLSMTSA-N 0 3 365.441 0.935 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cnn3c2cccc3OC)C[C@@H]1n1ccnn1 ZINC001070203224 1219291170 /nfs/dbraw/zinc/29/11/70/1219291170.db2.gz MVAKWOMDQLPAFF-ZBFHGGJFSA-N 0 3 367.413 0.776 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccn(CC(F)(F)F)n2)C[C@@H]1n1ccnn1 ZINC001070214289 1219297513 /nfs/dbraw/zinc/29/75/13/1219297513.db2.gz PAWSAPBOYLPVLC-OLZOCXBDSA-N 0 3 369.351 0.878 20 30 FCEDHN C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N)c1cnn(C)c1 ZINC001227695780 1225882076 /nfs/dbraw/zinc/88/20/76/1225882076.db2.gz TXOFVFNCYLTWRV-FVQBIDKESA-N 0 3 360.462 0.570 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cnc3ccccn3c2=O)C[C@@H]1n1ccnn1 ZINC001070219891 1219302084 /nfs/dbraw/zinc/30/20/84/1219302084.db2.gz PPPFPQCMAZLJBP-CABCVRRESA-N 0 3 365.397 0.127 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc3c(n2)OCCO3)C[C@@H]1n1ccnn1 ZINC001070225898 1219305913 /nfs/dbraw/zinc/30/59/13/1219305913.db2.gz CFEUXACPMGEKTA-KGLIPLIRSA-N 0 3 356.386 0.286 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc(CNC(C)=O)cc2)C[C@@H]1n1ccnn1 ZINC001070226938 1219306936 /nfs/dbraw/zinc/30/69/36/1219306936.db2.gz BYTVUDMGFPZBNG-MSOLQXFVSA-N 0 3 368.441 0.756 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cnc3onc(C)c3c2)C[C@@H]1n1ccnn1 ZINC001070248048 1219318941 /nfs/dbraw/zinc/31/89/41/1219318941.db2.gz LUSQPRTWDHQPNW-CABCVRRESA-N 0 3 353.386 0.964 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc3ncn(C)c3n2)C[C@@H]1n1ccnn1 ZINC001070272656 1219341046 /nfs/dbraw/zinc/34/10/46/1219341046.db2.gz XUKPAMUBODOZIO-CABCVRRESA-N 0 3 352.402 0.401 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc(-n3cnnc3)cc2)C[C@@H]1n1ccnn1 ZINC001070293983 1219354381 /nfs/dbraw/zinc/35/43/81/1219354381.db2.gz FNARJMOMSCJZDF-SJORKVTESA-N 0 3 364.413 0.700 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2n[nH]c(=O)c3ccccc32)C[C@@H]1n1ccnn1 ZINC001070315551 1219370765 /nfs/dbraw/zinc/37/07/65/1219370765.db2.gz NRDVCXXESSZSSE-CABCVRRESA-N 0 3 365.397 0.768 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc(-n3cnnn3)cc2)C[C@@H]1n1ccnn1 ZINC001070322177 1219374615 /nfs/dbraw/zinc/37/46/15/1219374615.db2.gz RXHFGDXBUMQXDX-CVEARBPZSA-N 0 3 365.401 0.095 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc(=O)n(CCCC)n2)C[C@@H]1n1ccnn1 ZINC001070324257 1219375182 /nfs/dbraw/zinc/37/51/82/1219375182.db2.gz AMGFJGNQAQROSK-CVEARBPZSA-N 0 3 371.445 0.476 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccnc(-n3ccnc3)c2)C[C@@H]1n1ccnn1 ZINC001070327732 1219378280 /nfs/dbraw/zinc/37/82/80/1219378280.db2.gz DUGCXKAAYMOFCW-CVEARBPZSA-N 0 3 364.413 0.700 20 30 FCEDHN C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N ZINC001227856738 1225888444 /nfs/dbraw/zinc/88/84/44/1225888444.db2.gz XBDYYDAZAHESGU-MGPQQGTHSA-N 0 3 365.478 0.194 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cccc2c[nH]nc21 ZINC001227878723 1225889296 /nfs/dbraw/zinc/88/92/96/1225889296.db2.gz SPEKRRAXLKXTRJ-HZPDHXFCSA-N 0 3 353.426 0.943 20 30 FCEDHN Cn1cnc2cc(C(=O)N[C@@H]3CCCC[C@H]3NCC(=O)NCC#N)cnc21 ZINC001227893026 1225889626 /nfs/dbraw/zinc/88/96/26/1225889626.db2.gz DMIURRAIJZEOMJ-ZIAGYGMSSA-N 0 3 369.429 0.239 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)n2cncn2)CC1 ZINC001070369803 1219400699 /nfs/dbraw/zinc/40/06/99/1219400699.db2.gz QMQFSFDTKLLSTB-UNEWFSDZSA-N 0 3 360.462 0.501 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2ccnnc2C)CC1 ZINC001070373941 1219402947 /nfs/dbraw/zinc/40/29/47/1219402947.db2.gz KKBRTYFSZJEANT-MJGOQNOKSA-N 0 3 369.469 0.897 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cn2ccc(C)n2)CC1 ZINC001070378372 1219405527 /nfs/dbraw/zinc/40/55/27/1219405527.db2.gz NJHRRPFSSGGIML-XLIONFOSSA-N 0 3 371.485 0.690 20 30 FCEDHN Cc1nc(C)n(CCN[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2cn(C)cn2)n1 ZINC001070476319 1219426969 /nfs/dbraw/zinc/42/69/69/1219426969.db2.gz HLDDXZFTCPIGQC-ISTRZQFTSA-N 0 3 370.461 0.372 20 30 FCEDHN Cn1cnc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2NCCN2CCCC2=O)c1 ZINC001070490386 1219436171 /nfs/dbraw/zinc/43/61/71/1219436171.db2.gz LWCDCFVOBSXPPO-FUHWJXTLSA-N 0 3 369.469 0.340 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cc2ccc(C(N)=O)nc2)C[C@H]1c1cn(C)cn1 ZINC001070506006 1219443581 /nfs/dbraw/zinc/44/35/81/1219443581.db2.gz STIOVFMPKFHZIY-WMLDXEAASA-N 0 3 368.441 0.227 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C[C@H]1c1cn(C)cn1 ZINC001070506656 1219444264 /nfs/dbraw/zinc/44/42/64/1219444264.db2.gz LHSXJYHMPRIJLL-VNHYZAJKSA-N 0 3 371.445 0.050 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCCc3nc[nH]c32)C[C@H]1c1cn(C)cn1 ZINC001070533551 1219457106 /nfs/dbraw/zinc/45/71/06/1219457106.db2.gz DIHQPMHEDLFNFU-JKIFEVAISA-N 0 3 352.442 0.781 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@]2(C)CCN(C(C)=O)C2)C[C@H]1c1cn(C)cn1 ZINC001070552809 1219466515 /nfs/dbraw/zinc/46/65/15/1219466515.db2.gz LHHSMPGKKMKJNE-WDYCEAGBSA-N 0 3 359.474 0.749 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc(C(=O)NC)nc2)C[C@H]1c1cn(C)cn1 ZINC001070553773 1219467247 /nfs/dbraw/zinc/46/72/47/1219467247.db2.gz FQUYRXDBIZAIIE-WMLDXEAASA-N 0 3 368.441 0.559 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C2CCN(C(C)=O)CC2)C[C@H]1c1cn(C)cn1 ZINC001070561859 1219470013 /nfs/dbraw/zinc/47/00/13/1219470013.db2.gz IQGNPYSPTYJUJS-FUHWJXTLSA-N 0 3 359.474 0.749 20 30 FCEDHN C=CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@H]2c2cncn2C)n1 ZINC001070589537 1219479758 /nfs/dbraw/zinc/47/97/58/1219479758.db2.gz DZANHRWLJXQHKW-UMVBOHGHSA-N 0 3 371.445 0.517 20 30 FCEDHN C=CCN1CCOC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@H]2c2cncn2C)n[nH]1 ZINC001070589537 1219479760 /nfs/dbraw/zinc/47/97/60/1219479760.db2.gz DZANHRWLJXQHKW-UMVBOHGHSA-N 0 3 371.445 0.517 20 30 FCEDHN Cn1cncc1CN[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cncn1C ZINC001070646325 1219504755 /nfs/dbraw/zinc/50/47/55/1219504755.db2.gz ANUFWVUDANWPAU-IAGOWNOFSA-N 0 3 352.442 0.651 20 30 FCEDHN Cn1cc(CN[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2c2cncn2C)cn1 ZINC001070646557 1219505792 /nfs/dbraw/zinc/50/57/92/1219505792.db2.gz IKAKUROFOTZXFM-IAGOWNOFSA-N 0 3 352.442 0.651 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)COc2c(C)nn(C)c2C)C[C@H]1c1cncn1C ZINC001070648084 1219506521 /nfs/dbraw/zinc/50/65/21/1219506521.db2.gz SBYDDPFFNPURAH-HZPDHXFCSA-N 0 3 370.457 0.367 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cc3c([nH]2)CCOC3)C[C@H]1c1cncn1C ZINC001070654205 1219509060 /nfs/dbraw/zinc/50/90/60/1219509060.db2.gz ARXQLPBVARALFO-RHSMWYFYSA-N 0 3 353.426 0.652 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cc3n(n2)CCCC3)C[C@H]1c1cncn1C ZINC001070658600 1219511572 /nfs/dbraw/zinc/51/15/72/1219511572.db2.gz PPHDWGJLZKZRKP-NVXWUHKLSA-N 0 3 352.442 0.784 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2ccc3c(c2)nnn3C)C[C@H]1c1cncn1C ZINC001070659597 1219512283 /nfs/dbraw/zinc/51/22/83/1219512283.db2.gz UFQBJEUBKGYOGP-GDBMZVCRSA-N 0 3 363.425 0.533 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCn3ccnc3C2)C[C@H]1c1cncn1C ZINC001070662328 1219513848 /nfs/dbraw/zinc/51/38/48/1219513848.db2.gz QVTYIKLRZDAMCK-BZUAXINKSA-N 0 3 352.442 0.396 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@H]2CCc3nc(C)nn3C2)C[C@H]1c1cncn1C ZINC001070673546 1219518681 /nfs/dbraw/zinc/51/86/81/1219518681.db2.gz ZQHFUSVNFPAOSD-ARFHVFGLSA-N 0 3 367.457 0.100 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cnc3c(c2)ncn3C)C[C@H]1c1cncn1C ZINC001070676869 1219520252 /nfs/dbraw/zinc/52/02/52/1219520252.db2.gz SDCYACZMTWWRKA-GDBMZVCRSA-N 0 3 363.425 0.533 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)CCc2nc(C3CC3)no2)C[C@H]1c1cncn1C ZINC001070697407 1219530346 /nfs/dbraw/zinc/53/03/46/1219530346.db2.gz BPLIDEPYMZJEKG-HUUCEWRRSA-N 0 3 368.441 0.831 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@H](C)Cc2cnn(C)c2)C[C@H]1c1cncn1C ZINC001070706452 1219535576 /nfs/dbraw/zinc/53/55/76/1219535576.db2.gz SHOLXJRQSBCEOQ-DJIMGWMZSA-N 0 3 354.458 0.550 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@H]2CCc3nc[nH]c3C2)C[C@H]1c1cncn1C ZINC001070708575 1219536362 /nfs/dbraw/zinc/53/63/62/1219536362.db2.gz VQJPRMSXMIBVCP-JJRVBVJISA-N 0 3 352.442 0.466 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@H]2CCc3[nH]cnc3C2)C[C@H]1c1cncn1C ZINC001070708575 1219536366 /nfs/dbraw/zinc/53/63/66/1219536366.db2.gz VQJPRMSXMIBVCP-JJRVBVJISA-N 0 3 352.442 0.466 20 30 FCEDHN C=CC[NH2+][C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@H]1c1cncn1C ZINC001070717073 1219539678 /nfs/dbraw/zinc/53/96/78/1219539678.db2.gz PWHJQDUSVMAONC-HZPDHXFCSA-N 0 3 370.457 0.845 20 30 FCEDHN CN(CC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(CC#N)C[C@H]32)C1)C1CCC1 ZINC001070913562 1219566641 /nfs/dbraw/zinc/56/66/41/1219566641.db2.gz QABYKOGRFZRPFX-XHSDSOJGSA-N 0 3 361.446 0.100 20 30 FCEDHN CC#CCN1CCC2(CN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)C2)C1 ZINC001072976939 1219627203 /nfs/dbraw/zinc/62/72/03/1219627203.db2.gz GHZXVPVFSMGHCY-SJORKVTESA-N 0 3 359.470 0.714 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(O)(CNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001074735288 1219722087 /nfs/dbraw/zinc/72/20/87/1219722087.db2.gz DFOJORRDGHPUKB-OAGGEKHMSA-N 0 3 367.490 0.387 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@H](C)C(=O)NC2CC2)CC1 ZINC001098460413 1219786839 /nfs/dbraw/zinc/78/68/39/1219786839.db2.gz BRWZVKZXMPXXGH-AXUOBQJMSA-N 0 3 372.513 0.720 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2nnc(C)[nH]2)CC1 ZINC001098462728 1219786884 /nfs/dbraw/zinc/78/68/84/1219786884.db2.gz KBXNPILWZFWRDU-ZACQAIPSSA-N 0 3 356.474 0.680 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccnn2C)CC1 ZINC001098462669 1219787121 /nfs/dbraw/zinc/78/71/21/1219787121.db2.gz HBLLXUKLCAKQRN-QRQLOZEOSA-N 0 3 355.486 0.987 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@@H](C)c2nnnn2C)CC1 ZINC001098462865 1219787874 /nfs/dbraw/zinc/78/78/74/1219787874.db2.gz RCDUQRWFAPIOKS-SVGFKBNWSA-N 0 3 371.489 0.338 20 30 FCEDHN C=CCN1CC[C@@H](N2C[C@@H]3CCC[C@]3(NC(=O)c3cn(C)nn3)C2)C1=O ZINC001098823165 1219833862 /nfs/dbraw/zinc/83/38/62/1219833862.db2.gz NPXFDAHBSFLMRL-JOQOYGCGSA-N 0 3 358.446 0.186 20 30 FCEDHN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001098967450 1219876469 /nfs/dbraw/zinc/87/64/69/1219876469.db2.gz YKBNVTWZNUZNMO-GUYCJALGSA-N 0 3 356.434 0.854 20 30 FCEDHN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001099079115 1219903378 /nfs/dbraw/zinc/90/33/78/1219903378.db2.gz NBBMIBWAKRKGFX-LIRRHRJNSA-N 0 3 353.426 0.939 20 30 FCEDHN C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2CN([C@H]2CCC(=O)NC2=O)C3)cn1 ZINC001099126401 1219922575 /nfs/dbraw/zinc/92/25/75/1219922575.db2.gz OUMZOKXQDPGEOI-UVFQYZLESA-N 0 3 366.421 0.452 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ncn(C(C)(C)C)n1 ZINC001228593399 1225933883 /nfs/dbraw/zinc/93/38/83/1225933883.db2.gz BQWWMPDFZFOFSQ-ZIAGYGMSSA-N 0 3 360.462 0.413 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCCOCC 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ZINC001215439198 1223999289 /nfs/dbraw/zinc/99/92/89/1223999289.db2.gz RFSMXWDFGSNCMQ-BFQNTYOBSA-N 0 3 355.398 0.411 20 30 FCEDHN C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(=O)NCC)C2)c1 ZINC001215501937 1224001988 /nfs/dbraw/zinc/00/19/88/1224001988.db2.gz UDMMQEDSRYHOHD-DVOMOZLQSA-N 0 3 371.441 0.347 20 30 FCEDHN C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCCCOC)C2)c1 ZINC001215500881 1224002099 /nfs/dbraw/zinc/00/20/99/1224002099.db2.gz CHGYZBMIQVJOGK-RHSMWYFYSA-N 0 3 358.442 0.266 20 30 FCEDHN C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC[C@@H]3CCOC3)C2)c1 ZINC001215505563 1224002636 /nfs/dbraw/zinc/00/26/36/1224002636.db2.gz FKCCFOTXGHWMEZ-UWWQBHOKSA-N 0 3 370.453 0.266 20 30 FCEDHN CC(C)CCn1cc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)nn1 ZINC001215523491 1224003929 /nfs/dbraw/zinc/00/39/29/1224003929.db2.gz JPGLCAQAOKARPF-ZIAGYGMSSA-N 0 3 361.450 0.014 20 30 FCEDHN C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCc2cc(=O)n(C)c(=O)n2C)C1 ZINC001215696680 1224013202 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XLLCAPUCSVQUFQ-ZIAGYGMSSA-N 0 3 362.478 0.819 20 30 FCEDHN COc1cccc2c1[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1)CC2 ZINC001215840166 1224020392 /nfs/dbraw/zinc/02/03/92/1224020392.db2.gz JHIRHMROMFDIPB-VNQPRFMTSA-N 0 3 370.453 0.801 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cc2ccccc2COC)C[C@H]1C ZINC001215873513 1224021826 /nfs/dbraw/zinc/02/18/26/1224021826.db2.gz SQYVTDGGSIEDLM-JTDSTZFVSA-N 0 3 371.481 0.950 20 30 FCEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@H]1C ZINC001215883635 1224022450 /nfs/dbraw/zinc/02/24/50/1224022450.db2.gz LPPOUMVWEDGYER-BZUAXINKSA-N 0 3 362.474 0.292 20 30 FCEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)C2(C(=O)NC)CC2)C[C@H]1C ZINC001215920857 1224024642 /nfs/dbraw/zinc/02/46/42/1224024642.db2.gz UUFVIUFUDIJSDI-HUUCEWRRSA-N 0 3 362.474 0.150 20 30 FCEDHN C[C@@H]1CN(C(=O)[C@@H]2CCOc3ccccc32)C[C@H]1NCC(=O)NCC#N ZINC001215945191 1224026341 /nfs/dbraw/zinc/02/63/41/1224026341.db2.gz RKPBBNSHYGOLLS-FVQBIDKESA-N 0 3 356.426 0.629 20 30 FCEDHN C[C@@H]1CN(C(=O)Cn2ncc3ccccc32)C[C@H]1NCC(=O)NCC#N ZINC001215964582 1224028068 /nfs/dbraw/zinc/02/80/68/1224028068.db2.gz GOOBISFGUZHZLE-UKRRQHHQSA-N 0 3 354.414 0.113 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCc3ccccc3O2)C[C@H]1C ZINC001215994297 1224028888 /nfs/dbraw/zinc/02/88/88/1224028888.db2.gz ZMYQBMVPDSKCEK-KYJSFNMBSA-N 0 3 355.438 0.566 20 30 FCEDHN CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1)c1cccnc1 ZINC001216077728 1224032931 /nfs/dbraw/zinc/03/29/31/1224032931.db2.gz NDDKUYQKAQMNQA-QGPMSJSTSA-N 0 3 357.458 0.897 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2nnn(C(C)C)c2C)C[C@H]1C ZINC001216124818 1224035721 /nfs/dbraw/zinc/03/57/21/1224035721.db2.gz HFQWEOMNYQQKNK-UMVBOHGHSA-N 0 3 362.478 0.908 20 30 FCEDHN C[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1)n1cnc2ccccc21 ZINC001216185626 1224038264 /nfs/dbraw/zinc/03/82/64/1224038264.db2.gz YYXIOZYTEASYAY-IJEWVQPXSA-N 0 3 368.441 0.674 20 30 FCEDHN C=CCN1CC[C@H](N[C@@H]2CN(C(=O)CCCn3cncn3)C[C@H]2C)C1=O ZINC001216238356 1224039935 /nfs/dbraw/zinc/03/99/35/1224039935.db2.gz KQCJSSJKXJBYEH-OWCLPIDISA-N 0 3 360.462 0.282 20 30 FCEDHN C[C@@H]1CN(C(=O)c2ccc3c(c2)CCN3C)C[C@H]1NCC(=O)NCC#N ZINC001216244465 1224040395 /nfs/dbraw/zinc/04/03/95/1224040395.db2.gz NJUMLQQBODQUSL-CZUORRHYSA-N 0 3 355.442 0.369 20 30 FCEDHN C[C@@H]1CN(C(=O)c2ccc(C(=O)N(C)C)cc2)C[C@H]1NCC(=O)NCC#N ZINC001216425166 1224049662 /nfs/dbraw/zinc/04/96/62/1224049662.db2.gz MPJHLDBTKSRFLP-CZUORRHYSA-N 0 3 371.441 0.078 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(=O)NCC)C2)nc1 ZINC001216459069 1224052397 /nfs/dbraw/zinc/05/23/97/1224052397.db2.gz OUONMPMSNYYIST-XJKCOSOUSA-N 0 3 371.441 0.347 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC[C@@H]3CCCO3)C2)nc1 ZINC001216458861 1224052523 /nfs/dbraw/zinc/05/25/23/1224052523.db2.gz FMCMAOJYUPXUAQ-UWWQBHOKSA-N 0 3 370.453 0.408 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CCC3(CCC3)CO2)C[C@H]1C ZINC001216493915 1224053104 /nfs/dbraw/zinc/05/31/04/1224053104.db2.gz FNMSZSCAZMLTCT-BRWVUGGUSA-N 0 3 361.486 0.912 20 30 FCEDHN COCc1ccc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)cc1F ZINC001216561194 1224055590 /nfs/dbraw/zinc/05/55/90/1224055590.db2.gz QOWCRFQUQMTBRG-MLGOLLRUSA-N 0 3 362.405 0.662 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C2(CC=C)CCOCC2)C[C@H]1C ZINC001216602834 1224058478 /nfs/dbraw/zinc/05/84/78/1224058478.db2.gz SIYCULHRWFDTNR-IXDOHACOSA-N 0 3 361.486 0.934 20 30 FCEDHN C=CCC1(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C2)CCOCC1 ZINC001216602829 1224058543 /nfs/dbraw/zinc/05/85/43/1224058543.db2.gz SEDDDNOBLGVYRG-HZSPNIEDSA-N 0 3 366.462 0.379 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)Cc2ccc3c[nH]nc3c2)C[C@H]1C ZINC001216613920 1224058980 /nfs/dbraw/zinc/05/89/80/1224058980.db2.gz CYCGZPSMFMTAAW-CXAGYDPISA-N 0 3 355.442 0.844 20 30 FCEDHN CCc1ccc(OCC(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)cc1 ZINC001216651991 1224060506 /nfs/dbraw/zinc/06/05/06/1224060506.db2.gz RVPJRBLQQGXCEN-RHSMWYFYSA-N 0 3 358.442 0.704 20 30 FCEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C ZINC001216704222 1224062680 /nfs/dbraw/zinc/06/26/80/1224062680.db2.gz IMRWULKVTBPYHQ-BZUAXINKSA-N 0 3 362.478 0.528 20 30 FCEDHN C[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1NCC#Cc1ccccc1 ZINC001216717589 1224064137 /nfs/dbraw/zinc/06/41/37/1224064137.db2.gz RMPWEDORJUARNT-GDBMZVCRSA-N 0 3 363.421 0.677 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCc2c(C)noc2C)C[C@H]1C ZINC001216727332 1224065373 /nfs/dbraw/zinc/06/53/73/1224065373.db2.gz AOUHAUIIHTXBLB-SUYBPPKGSA-N 0 3 360.458 0.798 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cccc(NC(C)=O)c2)C[C@H]1C ZINC001216736710 1224066280 /nfs/dbraw/zinc/06/62/80/1224066280.db2.gz DBWABSCHBYQQDB-CXAGYDPISA-N 0 3 356.426 0.445 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)COc2cc(C)ccc2C)C[C@H]1C ZINC001216739709 1224066812 /nfs/dbraw/zinc/06/68/12/1224066812.db2.gz GNVAJBCDKDLORX-IAGOWNOFSA-N 0 3 357.454 0.868 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCCc2nc(C)no2)C[C@H]1C ZINC001216748808 1224067784 /nfs/dbraw/zinc/06/77/84/1224067784.db2.gz XAGQMRPPEAZUND-VNHYZAJKSA-N 0 3 361.446 0.275 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2c[nH]cc2C)C[C@H]1C ZINC001216751943 1224068355 /nfs/dbraw/zinc/06/83/55/1224068355.db2.gz CNCJICLRNBVSGG-UMVBOHGHSA-N 0 3 361.446 0.774 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)CCCc2nc(CC)no2)C[C@H]1C ZINC001216750077 1224068665 /nfs/dbraw/zinc/06/86/65/1224068665.db2.gz NYYLZZBZMBUQNY-ZIAGYGMSSA-N 0 3 363.462 0.693 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cc(-c3ccoc3)n[nH]2)C[C@H]1C ZINC001216756261 1224068940 /nfs/dbraw/zinc/06/89/40/1224068940.db2.gz ZSPKZZQBTIKTCO-PBFPGSCMSA-N 0 3 369.425 0.858 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)C[C@H](C)n2nc(C)cc2C)C[C@H]1C ZINC001216755826 1224069072 /nfs/dbraw/zinc/06/90/72/1224069072.db2.gz GCPUIEFWMJXWIP-XOKHGSTOSA-N 0 3 359.474 0.637 20 30 FCEDHN C[C@H](COc1ccccc1)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1 ZINC001216764527 1224070077 /nfs/dbraw/zinc/07/00/77/1224070077.db2.gz BLQZNSVPPTVAAT-BFYDXBDKSA-N 0 3 358.442 0.778 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CN2CCc3ccccc32)C[C@H]1C ZINC001216781569 1224071601 /nfs/dbraw/zinc/07/16/01/1224071601.db2.gz GWYNNJODRIVCLK-SOLBZPMBSA-N 0 3 368.481 0.624 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)OC)C[C@H]1C ZINC001216791827 1224072342 /nfs/dbraw/zinc/07/23/42/1224072342.db2.gz RHWGTQBVJRXIBL-KBAYOESNSA-N 0 3 357.454 0.430 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ncc3n2CCCC3)C[C@H]1C ZINC001216791921 1224072598 /nfs/dbraw/zinc/07/25/98/1224072598.db2.gz VLZPEHVGTQZBEU-IJEWVQPXSA-N 0 3 359.474 0.960 20 30 FCEDHN C=C[C@@H](CC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1)c1ccccc1 ZINC001216811727 1224074180 /nfs/dbraw/zinc/07/41/80/1224074180.db2.gz QCRAJWBMJBAELJ-IJEWVQPXSA-N 0 3 358.442 0.978 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cc2[nH]nc3ccccc32)C[C@H]1C ZINC001216830413 1224076054 /nfs/dbraw/zinc/07/60/54/1224076054.db2.gz PAQFLYNKQFMYID-QWQRMKEZSA-N 0 3 367.453 0.680 20 30 FCEDHN C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(C)n2)C1 ZINC001216846654 1224078799 /nfs/dbraw/zinc/07/87/99/1224078799.db2.gz RSZGQDLORFLQNK-DGCLKSJQSA-N 0 3 363.466 0.313 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)c2cccc(OC)c2)C[C@H]1C ZINC001216853549 1224078964 /nfs/dbraw/zinc/07/89/64/1224078964.db2.gz GWSFBMOMAJVVEL-RVKKMQEKSA-N 0 3 357.454 0.985 20 30 FCEDHN C=CCCOCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NCCCC)C1 ZINC001216935849 1224081873 /nfs/dbraw/zinc/08/18/73/1224081873.db2.gz FUWOAKJWXWMPHY-HUUCEWRRSA-N 0 3 368.478 0.642 20 30 FCEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)CCOCCOC)C[C@H]1C ZINC001216964810 1224082318 /nfs/dbraw/zinc/08/23/18/1224082318.db2.gz KWFPSHOPZKHTKV-IAGOWNOFSA-N 0 3 369.506 0.901 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CN(C)c2ccccc2)C[C@H]1C ZINC001216974143 1224082694 /nfs/dbraw/zinc/08/26/94/1224082694.db2.gz AIMDBSDAHLEUAV-SOLBZPMBSA-N 0 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FCEDHN C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1N(Cc1nccnc1C)CC2 ZINC001107374481 1259067161 /nfs/dbraw/zinc/06/71/61/1259067161.db2.gz ULXHUUPRHDRTME-YLJYHZDGSA-N 0 3 369.469 0.785 20 30 FCEDHN COCC#CCN1CC[C@@]2(CNC(=O)C[C@@H]3CCC(=O)NC3)CCC[C@@H]12 ZINC001107436171 1259087552 /nfs/dbraw/zinc/08/75/52/1259087552.db2.gz PBWHOQLSPYUDRA-SQGPQFPESA-N 0 3 361.486 0.913 20 30 FCEDHN COCC#CCN1CC[C@@]2(CNC(=O)c3cc4n(n3)CCO4)CCC[C@@H]12 ZINC001107436876 1259088749 /nfs/dbraw/zinc/08/87/49/1259088749.db2.gz VWFFKIFQTLUQMQ-VQIMIIECSA-N 0 3 358.442 0.900 20 30 FCEDHN COCC#CCN1CC[C@@]2(CNC(=O)c3cc(=O)n(C)cn3)CCC[C@@H]12 ZINC001107439755 1259090896 /nfs/dbraw/zinc/09/08/96/1259090896.db2.gz QSPWLQJQQKZSHE-VQIMIIECSA-N 0 3 358.442 0.405 20 30 FCEDHN COCC#CCN1CC[C@@]2(CNC(=O)[C@@H]3CCc4nncn4C3)CCC[C@@H]12 ZINC001107640990 1259142416 /nfs/dbraw/zinc/14/24/16/1259142416.db2.gz UQQYWBPHALAQQG-MBOZVWFJSA-N 0 3 371.485 0.851 20 30 FCEDHN C=CCCCCCN1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](n2ccnn2)C1 ZINC001128656618 1259210584 /nfs/dbraw/zinc/21/05/84/1259210584.db2.gz DOJREFQTXRTXEG-CABCVRRESA-N 0 3 359.438 0.053 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)c2cnn3ccncc23)[C@@H](n2ccnn2)C1 ZINC001129048960 1259298545 /nfs/dbraw/zinc/29/85/45/1259298545.db2.gz MDUHUCYKOZOKRY-WBVHZDCISA-N 0 3 366.429 0.942 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CCCCC)C[C@@H]1n1ccnn1 ZINC001129052338 1259298739 /nfs/dbraw/zinc/29/87/39/1259298739.db2.gz CEUUUXXGBKYDKL-SQNIBIBYSA-N 0 3 358.490 0.907 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)CN2CCCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129089642 1259309091 /nfs/dbraw/zinc/30/90/91/1259309091.db2.gz MSHFGFHPEXWIID-CABCVRRESA-N 0 3 361.450 0.001 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](n2ccnn2)C1 ZINC001129276447 1259364043 /nfs/dbraw/zinc/36/40/43/1259364043.db2.gz LNDVPOCEBJRGED-CABCVRRESA-N 0 3 357.418 0.327 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnn3c2CCCC3)C[C@H]1C ZINC001216221955 1259537160 /nfs/dbraw/zinc/53/71/60/1259537160.db2.gz PNDMNFNGEDUTIX-IJEWVQPXSA-N 0 3 359.474 0.960 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnn3c2CCCC3)C[C@H]1C ZINC001216222205 1259537626 /nfs/dbraw/zinc/53/76/26/1259537626.db2.gz VKEDCDHSFAFRJI-IJEWVQPXSA-N 0 3 357.458 0.407 20 30 FCEDHN C#CCOC[C@@H](O)CN1CC[C@]2(C1)COCc1c(C)nc(N(C)C)nc12 ZINC001251841040 1259763576 /nfs/dbraw/zinc/76/35/76/1259763576.db2.gz ZLVVGGGTSFPWOM-KXBFYZLASA-N 0 3 360.458 0.335 20 30 FCEDHN C#CCOC[C@@H](O)CN1CC[C@H]2O[C@@H](C(=O)NCc3ccco3)CC[C@H]21 ZINC001251844572 1259766398 /nfs/dbraw/zinc/76/63/98/1259766398.db2.gz TXUHQQMOSTZDRI-DZOHQFGASA-N 0 3 362.426 0.528 20 30 FCEDHN C=CCOC[C@H](O)CN1C[C@H](OCC(=O)N2CCCC2)[C@H]2OCCC[C@H]21 ZINC001252464448 1259791602 /nfs/dbraw/zinc/79/16/02/1259791602.db2.gz XYNKINBANRBMGR-VXNCWWDNSA-N 0 3 368.474 0.421 20 30 FCEDHN C=CCOC[C@@H](O)CN[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OCC ZINC001252491228 1259792691 /nfs/dbraw/zinc/79/26/91/1259792691.db2.gz GXXQHIGUYIRNDU-RRFJBIMHSA-N 0 3 372.462 0.938 20 30 FCEDHN C=C[C@H](O)CNCC(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001253615603 1259845233 /nfs/dbraw/zinc/84/52/33/1259845233.db2.gz LFLHCBTYLLUKIS-JSGCOSHPSA-N 0 3 373.409 0.681 20 30 FCEDHN C=CCN(CC=C)C(=O)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001336412627 1260118694 /nfs/dbraw/zinc/11/86/94/1260118694.db2.gz DFIRYBPPWILOGL-UHFFFAOYSA-N 0 3 362.474 0.519 20 30 FCEDHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1cccc(OCC#N)c1 ZINC001261380202 1260129346 /nfs/dbraw/zinc/12/93/46/1260129346.db2.gz ZFSZKIMEEPMQHL-IUODEOHRSA-N 0 3 360.414 0.434 20 30 FCEDHN C#CCN1C[C@@]2(CC1=O)CCCCN2C(=O)CCCN1CCN(C)CC1 ZINC001272632548 1260467261 /nfs/dbraw/zinc/46/72/61/1260467261.db2.gz KAVAMEMGBKYLSH-FQEVSTJZSA-N 0 3 360.502 0.631 20 30 FCEDHN N#CC1(NC(=O)C[C@H]2C[C@@H]3CN(CCN4CCOCC4)C[C@@H]3O2)CCC1 ZINC001279772990 1260934001 /nfs/dbraw/zinc/93/40/01/1260934001.db2.gz WQHUREQOOUIQQE-ZACQAIPSSA-N 0 3 362.474 0.360 20 30 FCEDHN Cc1ncc(CO)c(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)NC3(C#N)CCC3)C2)c1[O-] ZINC001280035846 1260981651 /nfs/dbraw/zinc/98/16/51/1260981651.db2.gz HZZAODDZEUUAJI-AUUYWEPGSA-N 0 3 356.426 0.972 20 30 FCEDHN Cc1ncc(CO)c(C[N@H+]2C[C@H]3C[C@@]3(C(=O)NC3(C#N)CCC3)C2)c1[O-] ZINC001280035846 1260981653 /nfs/dbraw/zinc/98/16/53/1260981653.db2.gz HZZAODDZEUUAJI-AUUYWEPGSA-N 0 3 356.426 0.972 20 30 FCEDHN C=CCCn1cc(C(=O)N2CC[C@H](NC(=O)[C@@H](CC)N(C)C)[C@H]2C)nn1 ZINC001345509418 1261727220 /nfs/dbraw/zinc/72/72/20/1261727220.db2.gz QLNSBSLQKDKUBJ-IJEWVQPXSA-N 0 3 362.478 0.914 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCc3[nH]c(=O)c(C(N)=O)cc32)CC1 ZINC001317977696 1263534825 /nfs/dbraw/zinc/53/48/25/1263534825.db2.gz IGMBOLPOWXYSSD-OAHLLOKOSA-N 0 3 356.426 0.725 20 30 FCEDHN COCCN(CCN(C)C)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 ZINC001318315008 1263561769 /nfs/dbraw/zinc/56/17/69/1263561769.db2.gz WTCLCPSECUVLQO-MRXNPFEDSA-N 0 3 358.442 0.948 20 30 FCEDHN C[C@@H](CC#N)NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC001321655503 1264024579 /nfs/dbraw/zinc/02/45/79/1264024579.db2.gz BFWVXEJKSKZORD-ZDUSSCGKSA-N 0 3 371.441 0.741 20 30 FCEDHN C=CCn1cc(CNC(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)nn1 ZINC001325910922 1265020816 /nfs/dbraw/zinc/02/08/16/1265020816.db2.gz NAYQUJSQAPNELC-NVXWUHKLSA-N 0 3 361.494 0.632 20 30 FCEDHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)c1cc(C#N)c[nH]1 ZINC001580406885 1278243554 /nfs/dbraw/zinc/24/35/54/1278243554.db2.gz CCPPBLPWFPQMGL-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)c1cc(C#N)c[nH]1 ZINC001580406885 1278243565 /nfs/dbraw/zinc/24/35/65/1278243565.db2.gz CCPPBLPWFPQMGL-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN N#CCc1ccc(OC[C@H](O)CN2CCC3(CC2)NC(=O)NC3=O)cc1 ZINC001327498235 1265341844 /nfs/dbraw/zinc/34/18/44/1265341844.db2.gz FGOZRWDGEXTBJR-CQSZACIVSA-N 0 3 358.398 0.166 20 30 FCEDHN CN1CCC(N(CCO)C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 ZINC001333382265 1266588232 /nfs/dbraw/zinc/58/82/32/1266588232.db2.gz CDTMJONJKMHSDO-INIZCTEOSA-N 0 3 370.453 0.826 20 30 FCEDHN CC[C@@H](C)N1CCN(c2nnc(C[C@H](O)CC#N)n2CCOC)CC1 ZINC001523470353 1266632692 /nfs/dbraw/zinc/63/26/92/1266632692.db2.gz ZSRUKGCEKWLNAI-HUUCEWRRSA-N 0 3 350.467 0.662 20 30 FCEDHN CN1CCCC[C@@H]1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC001338295911 1267903440 /nfs/dbraw/zinc/90/34/40/1267903440.db2.gz WBWSMRZQKPYKLE-GFCCVEGCSA-N 0 3 350.444 0.326 20 30 FCEDHN C#CCN1CCC[C@H]1c1nnc(N2CCN(C3CCOCC3)CC2)n1C ZINC001339717801 1268310026 /nfs/dbraw/zinc/31/00/26/1268310026.db2.gz VKWPSVKJEMQEIA-KRWDZBQOSA-N 0 3 358.490 0.886 20 30 FCEDHN C=CCn1c(-c2ncnn2C)nnc1N1CCN(C2CCOCC2)CC1 ZINC001340621581 1268607574 /nfs/dbraw/zinc/60/75/74/1268607574.db2.gz ZOKGINOEMVHFIW-UHFFFAOYSA-N 0 3 358.450 0.561 20 30 FCEDHN C=CCn1c(-c2nnc(C3CC3)[nH]2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001340772643 1268651921 /nfs/dbraw/zinc/65/19/21/1268651921.db2.gz UNQIJRCVWFVIFR-ZDUSSCGKSA-N 0 3 356.434 0.647 20 30 FCEDHN C=CCn1c(-c2n[nH]c(C3CC3)n2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001340772643 1268651931 /nfs/dbraw/zinc/65/19/31/1268651931.db2.gz UNQIJRCVWFVIFR-ZDUSSCGKSA-N 0 3 356.434 0.647 20 30 FCEDHN C=CCn1c(-c2nc(C3CC3)n[nH]2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001340772643 1268651940 /nfs/dbraw/zinc/65/19/40/1268651940.db2.gz UNQIJRCVWFVIFR-ZDUSSCGKSA-N 0 3 356.434 0.647 20 30 FCEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001341718835 1269168763 /nfs/dbraw/zinc/16/87/63/1269168763.db2.gz NUHKNJJWUJKPOT-LSDHHAIUSA-N 0 3 359.492 0.323 20 30 FCEDHN COCCNC(=O)C(C#N)C(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC001341821808 1269228634 /nfs/dbraw/zinc/22/86/34/1269228634.db2.gz WPWWAIMSSRRCAZ-NDBYEHHHSA-N 0 3 351.403 0.571 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@@H](O)C2)cc1 ZINC001343705080 1269987777 /nfs/dbraw/zinc/98/77/77/1269987777.db2.gz JSLWBDYKOQWMQB-FGTMMUONSA-N 0 3 357.454 0.556 20 30 FCEDHN C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001343966789 1270064485 /nfs/dbraw/zinc/06/44/85/1270064485.db2.gz QIXFXATYRSBMSA-LSDHHAIUSA-N 0 3 359.478 0.877 20 30 FCEDHN C=C(C)Cn1c(C2CCC2)nnc1N1C[C@H]2[C@H](C1)S(=O)(=O)C[C@H]2N ZINC001574845482 1271593242 /nfs/dbraw/zinc/59/32/42/1271593242.db2.gz YQEGZTFPEFJOAO-MCIONIFRSA-N 0 3 351.476 0.682 20 30 FCEDHN C=C(C)Cn1c(N2C[C@@H]3[C@H](N)CS(=O)(=O)[C@@H]3C2)nnc1C(C)(C)C ZINC001574845044 1271594102 /nfs/dbraw/zinc/59/41/02/1271594102.db2.gz VDTZDNMBQLHMOS-JHJVBQTASA-N 0 3 353.492 0.712 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCCCCc2c[nH]nn2)C1 ZINC001575004840 1271691292 /nfs/dbraw/zinc/69/12/92/1271691292.db2.gz NMGHBVGXZNQJMQ-GDBMZVCRSA-N 0 3 360.462 0.236 20 30 FCEDHN C=CCCCC(=O)NC[C@@H]1[C@H]2CN([C@H](C)C(=O)NCc3c[nH]nn3)C[C@H]21 ZINC001575093382 1271716106 /nfs/dbraw/zinc/71/61/06/1271716106.db2.gz JESSTMLQZKUACY-MIGQKNRLSA-N 0 3 360.462 0.460 20 30 FCEDHN C=CCN1CCN([C@H]2CCN(C(=O)c3ccc(-c4c[nH]nn4)nc3)C2)CC1 ZINC001575103352 1271718072 /nfs/dbraw/zinc/71/80/72/1271718072.db2.gz ASIIFIBSHVLPRH-INIZCTEOSA-N 0 3 367.457 0.885 20 30 FCEDHN CC(C)C#CC(=O)N1CC[C@@H]2[C@@H](CCN2CC(=O)NCc2c[nH]nn2)C1 ZINC001575318556 1271918405 /nfs/dbraw/zinc/91/84/05/1271918405.db2.gz LPSQAPGQRWNPEA-GOEBONIOSA-N 0 3 358.446 0.003 20 30 FCEDHN CC(C)C#CC(=O)N[C@@H](C)C1CCN([C@@H](C)C(=O)NCc2c[nH]nn2)CC1 ZINC001575318428 1271918452 /nfs/dbraw/zinc/91/84/52/1271918452.db2.gz JLCKHAOXNQXCSJ-GJZGRUSLSA-N 0 3 374.489 0.686 20 30 FCEDHN COCC#CCN1CCC[C@@H](NC(=O)C2CCN(Cc3c[nH]nn3)CC2)C1 ZINC001576953482 1273973378 /nfs/dbraw/zinc/97/33/78/1273973378.db2.gz OBRFWCLYBFGOQM-QGZVFWFLSA-N 0 3 374.489 0.247 20 30 FCEDHN COCC#CCN1CCC(N(Cc2c[nH]nn2)C(=O)[C@H](C)COC)CC1 ZINC001576952717 1273973795 /nfs/dbraw/zinc/97/37/95/1273973795.db2.gz JUGGRIQFVOGIRR-OAHLLOKOSA-N 0 3 363.462 0.530 20 30 FCEDHN COCC#CCN1CCC([C@H](C)NC(=O)[C@H](C)OCc2cn[nH]n2)CC1 ZINC001576954738 1273976476 /nfs/dbraw/zinc/97/64/76/1273976476.db2.gz ZNRKJDVKFVCQRE-GJZGRUSLSA-N 0 3 363.462 0.576 20 30 FCEDHN N#CCNC(=O)CN1CCCCC[C@@H]1CNC(=O)CCCc1cnn[nH]1 ZINC001577706758 1274768126 /nfs/dbraw/zinc/76/81/26/1274768126.db2.gz SFKIYWACKACXKY-OAHLLOKOSA-N 0 3 361.450 0.128 20 30 FCEDHN CC[N@H+](CCNC(=O)[C@@H](C)C#N)Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001577924221 1275135636 /nfs/dbraw/zinc/13/56/36/1275135636.db2.gz XCIIBALSYCREDD-LBPRGKRZSA-N 0 3 357.418 0.973 20 30 FCEDHN CC[N@@H+](CCNC(=O)[C@@H](C)C#N)Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001577924221 1275135640 /nfs/dbraw/zinc/13/56/40/1275135640.db2.gz XCIIBALSYCREDD-LBPRGKRZSA-N 0 3 357.418 0.973 20 30 FCEDHN CCOC(=O)CON=C(C(=O)N1[C@H](C)CN[C@H](C)[C@H]1C)c1ccn[nH]1 ZINC001577954511 1275176703 /nfs/dbraw/zinc/17/67/03/1275176703.db2.gz OUHDQXYBPJJZPG-IJLUTSLNSA-N 0 3 351.407 0.291 20 30 FCEDHN CCOC(=O)CON=C(C(=O)N1[C@H](C)CN[C@@H](C)[C@H]1C)c1ccn[nH]1 ZINC001577954510 1275176741 /nfs/dbraw/zinc/17/67/41/1275176741.db2.gz OUHDQXYBPJJZPG-GRYCIOLGSA-N 0 3 351.407 0.291 20 30 FCEDHN COCC#CC[NH2+][C@@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C12CCC2 ZINC001579618473 1277664579 /nfs/dbraw/zinc/66/45/79/1277664579.db2.gz KXYOUUKOYKOLPR-CABCVRRESA-N 0 3 369.429 0.475 20 30 FCEDHN COCC#CC[NH2+]C1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCCC1 ZINC001579619616 1277667932 /nfs/dbraw/zinc/66/79/32/1277667932.db2.gz UFTZXIGRNHYKGZ-UHFFFAOYSA-N 0 3 371.445 0.867 20 30 FCEDHN COCC#CC[NH2+]C1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCCC1 ZINC001579619616 1277667938 /nfs/dbraw/zinc/66/79/38/1277667938.db2.gz UFTZXIGRNHYKGZ-UHFFFAOYSA-N 0 3 371.445 0.867 20 30 FCEDHN COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)C#N)cc1-c1nnn[n-]1 ZINC001580014667 1277990402 /nfs/dbraw/zinc/99/04/02/1277990402.db2.gz IAIHDTSSYRXFRN-NEPJUHHUSA-N 0 3 357.418 0.971 20 30 FCEDHN C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001588349050 1282441940 /nfs/dbraw/zinc/44/19/40/1282441940.db2.gz AFVTUQBBUOWBAM-UHFFFAOYSA-N 0 3 359.365 0.016 20 30 FCEDHN C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001588349050 1282441946 /nfs/dbraw/zinc/44/19/46/1282441946.db2.gz AFVTUQBBUOWBAM-UHFFFAOYSA-N 0 3 359.365 0.016 20 30 FCEDHN C#CCN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC[NH+](C[C@H](C)OC)CC1 ZINC001588348552 1282442622 /nfs/dbraw/zinc/44/26/22/1282442622.db2.gz AYHUBXAOHRRGKT-ZDUSSCGKSA-N 0 3 371.445 0.770 20 30 FCEDHN C#CCN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC[NH+](C[C@H](C)OC)CC1 ZINC001588348552 1282442626 /nfs/dbraw/zinc/44/26/26/1282442626.db2.gz AYHUBXAOHRRGKT-ZDUSSCGKSA-N 0 3 371.445 0.770 20 30 FCEDHN C#CCNC(=O)CC[NH+]1CCC(Nc2ccccc2-c2nnn[n-]2)CC1 ZINC001588354227 1282449317 /nfs/dbraw/zinc/44/93/17/1282449317.db2.gz IXYBURHYFJTCQL-UHFFFAOYSA-N 0 3 353.430 0.883 20 30 FCEDHN C#CCNC(=O)CC[NH+]1CCC(Nc2ccccc2-c2nn[n-]n2)CC1 ZINC001588354227 1282449322 /nfs/dbraw/zinc/44/93/22/1282449322.db2.gz IXYBURHYFJTCQL-UHFFFAOYSA-N 0 3 353.430 0.883 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588355193 1282452688 /nfs/dbraw/zinc/45/26/88/1282452688.db2.gz FZORPTQJHUNIQT-ZBFHGGJFSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001588355193 1282452690 /nfs/dbraw/zinc/45/26/90/1282452690.db2.gz FZORPTQJHUNIQT-ZBFHGGJFSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588355661 1282454700 /nfs/dbraw/zinc/45/47/00/1282454700.db2.gz LBMZLKWYLKJSMK-WMLDXEAASA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588355661 1282454708 /nfs/dbraw/zinc/45/47/08/1282454708.db2.gz LBMZLKWYLKJSMK-WMLDXEAASA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001588355959 1282457896 /nfs/dbraw/zinc/45/78/96/1282457896.db2.gz QEEKIIGWDXZYMO-CQSZACIVSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1CCC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588358888 1282472560 /nfs/dbraw/zinc/47/25/60/1282472560.db2.gz WFIRLWLYAKQOSR-AWEZNQCLSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1CCC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588358888 1282472565 /nfs/dbraw/zinc/47/25/65/1282472565.db2.gz WFIRLWLYAKQOSR-AWEZNQCLSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCOCCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)[C@@H]1C ZINC001588358953 1282473242 /nfs/dbraw/zinc/47/32/42/1282473242.db2.gz DPLQWNUVKRBHKV-WMLDXEAASA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCOCCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)[C@@H]1C ZINC001588358953 1282473246 /nfs/dbraw/zinc/47/32/46/1282473246.db2.gz DPLQWNUVKRBHKV-WMLDXEAASA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCOCCC(=O)N(C)[C@H](C)CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001588360620 1282477982 /nfs/dbraw/zinc/47/79/82/1282477982.db2.gz SWOFNHQBWFWGCI-CYBMUJFWSA-N 0 3 374.420 0.982 20 30 FCEDHN C#CCOCCC(=O)N(C)[C@@H](C)CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001588360621 1282478968 /nfs/dbraw/zinc/47/89/68/1282478968.db2.gz SWOFNHQBWFWGCI-ZDUSSCGKSA-N 0 3 374.420 0.982 20 30 FCEDHN C#CCOCCC(=O)NCC1CC([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588361019 1282480585 /nfs/dbraw/zinc/48/05/85/1282480585.db2.gz BGUYKMKMOBGGQD-UHFFFAOYSA-N 0 3 368.441 0.891 20 30 FCEDHN C#CCOCCC(=O)NCC1CC([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001588361019 1282480589 /nfs/dbraw/zinc/48/05/89/1282480589.db2.gz BGUYKMKMOBGGQD-UHFFFAOYSA-N 0 3 368.441 0.891 20 30 FCEDHN C=CCC[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588577729 1282571689 /nfs/dbraw/zinc/57/16/89/1282571689.db2.gz MBQNEHWNFVEHFC-YVEFUNNKSA-N 0 3 359.434 0.716 20 30 FCEDHN C=CCC[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588577729 1282571700 /nfs/dbraw/zinc/57/17/00/1282571700.db2.gz MBQNEHWNFVEHFC-YVEFUNNKSA-N 0 3 359.434 0.716 20 30 FCEDHN C=CCC[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588577729 1282571709 /nfs/dbraw/zinc/57/17/09/1282571709.db2.gz MBQNEHWNFVEHFC-YVEFUNNKSA-N 0 3 359.434 0.716 20 30 FCEDHN C=CCC[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588577729 1282571716 /nfs/dbraw/zinc/57/17/16/1282571716.db2.gz MBQNEHWNFVEHFC-YVEFUNNKSA-N 0 3 359.434 0.716 20 30 FCEDHN C=CCC[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001588577508 1282572276 /nfs/dbraw/zinc/57/22/76/1282572276.db2.gz JAHBEDVGOMMMME-QWHCGFSZSA-N 0 3 361.450 0.914 20 30 FCEDHN C=CCC[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001588577508 1282572286 /nfs/dbraw/zinc/57/22/86/1282572286.db2.gz JAHBEDVGOMMMME-QWHCGFSZSA-N 0 3 361.450 0.914 20 30 FCEDHN C=CCC[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001588577508 1282572296 /nfs/dbraw/zinc/57/22/96/1282572296.db2.gz JAHBEDVGOMMMME-QWHCGFSZSA-N 0 3 361.450 0.914 20 30 FCEDHN C=CCC[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001588577508 1282572309 /nfs/dbraw/zinc/57/23/09/1282572309.db2.gz JAHBEDVGOMMMME-QWHCGFSZSA-N 0 3 361.450 0.914 20 30 FCEDHN C=CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588603842 1282580917 /nfs/dbraw/zinc/58/09/17/1282580917.db2.gz YEKXMIJOKJXDAW-ZDUSSCGKSA-N 0 3 359.434 0.670 20 30 FCEDHN C=CCC[N@H+](CCO)[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588603842 1282580928 /nfs/dbraw/zinc/58/09/28/1282580928.db2.gz YEKXMIJOKJXDAW-ZDUSSCGKSA-N 0 3 359.434 0.670 20 30 FCEDHN C=CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588603842 1282580940 /nfs/dbraw/zinc/58/09/40/1282580940.db2.gz YEKXMIJOKJXDAW-ZDUSSCGKSA-N 0 3 359.434 0.670 20 30 FCEDHN C=CCC[N@H+](CCO)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588603842 1282580949 /nfs/dbraw/zinc/58/09/49/1282580949.db2.gz YEKXMIJOKJXDAW-ZDUSSCGKSA-N 0 3 359.434 0.670 20 30 FCEDHN C=CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001588682024 1282639993 /nfs/dbraw/zinc/63/99/93/1282639993.db2.gz AANRQUBBPAXNGM-AWEZNQCLSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001588682024 1282640005 /nfs/dbraw/zinc/64/00/05/1282640005.db2.gz AANRQUBBPAXNGM-AWEZNQCLSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCOCC[NH2+][C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](C)C1 ZINC001588682162 1282640755 /nfs/dbraw/zinc/64/07/55/1282640755.db2.gz CFDGWYBUQIXVJX-STQMWFEESA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[NH2+][C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](C)C1 ZINC001588682162 1282640769 /nfs/dbraw/zinc/64/07/69/1282640769.db2.gz CFDGWYBUQIXVJX-STQMWFEESA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[NH2+]C[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001588682027 1282642232 /nfs/dbraw/zinc/64/22/32/1282642232.db2.gz AANRQUBBPAXNGM-CQSZACIVSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCOCC[NH2+]C[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001588682027 1282642242 /nfs/dbraw/zinc/64/22/42/1282642242.db2.gz AANRQUBBPAXNGM-CQSZACIVSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCOCC[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C ZINC001588683437 1282643509 /nfs/dbraw/zinc/64/35/09/1282643509.db2.gz SGJMSOGMBFXZTO-CHWSQXEVSA-N 0 3 359.434 0.838 20 30 FCEDHN C=CCOCC[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001588683437 1282643521 /nfs/dbraw/zinc/64/35/21/1282643521.db2.gz SGJMSOGMBFXZTO-CHWSQXEVSA-N 0 3 359.434 0.838 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588723321 1282670455 /nfs/dbraw/zinc/67/04/55/1282670455.db2.gz LIRBZRLIUXNFHZ-OAGGEKHMSA-N 0 3 372.429 0.025 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588723321 1282670461 /nfs/dbraw/zinc/67/04/61/1282670461.db2.gz LIRBZRLIUXNFHZ-OAGGEKHMSA-N 0 3 372.429 0.025 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001588724143 1282671068 /nfs/dbraw/zinc/67/10/68/1282671068.db2.gz WIXZLAMMZVIXFU-HIFRSBDPSA-N 0 3 372.429 0.672 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001588724143 1282671082 /nfs/dbraw/zinc/67/10/82/1282671082.db2.gz WIXZLAMMZVIXFU-HIFRSBDPSA-N 0 3 372.429 0.672 20 30 FCEDHN C[C@H](C#N)C(=O)N(CCO)CC[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588926502 1282726846 /nfs/dbraw/zinc/72/68/46/1282726846.db2.gz BDKNACJXGDOEON-LLVKDONJSA-N 0 3 361.381 0.076 20 30 FCEDHN CC(C)C#CC(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001589380056 1282853110 /nfs/dbraw/zinc/85/31/10/1282853110.db2.gz KWSJTFKMFZVMND-MRXNPFEDSA-N 0 3 370.457 0.777 20 30 FCEDHN CC(C)C#CC(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001589380056 1282853115 /nfs/dbraw/zinc/85/31/15/1282853115.db2.gz KWSJTFKMFZVMND-MRXNPFEDSA-N 0 3 370.457 0.777 20 30 FCEDHN CC(C)C#CC(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001589380056 1282853125 /nfs/dbraw/zinc/85/31/25/1282853125.db2.gz KWSJTFKMFZVMND-MRXNPFEDSA-N 0 3 370.457 0.777 20 30 FCEDHN CC(C)C#CC(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001589380056 1282853132 /nfs/dbraw/zinc/85/31/32/1282853132.db2.gz KWSJTFKMFZVMND-MRXNPFEDSA-N 0 3 370.457 0.777 20 30 FCEDHN COC(=O)[C@@]1(F)CCN(C(=O)C(C#N)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591241633 1284387369 /nfs/dbraw/zinc/38/73/69/1284387369.db2.gz AKZIHYZFWRJEQQ-SUMWQHHRSA-N 0 3 372.360 0.663 20 30 FCEDHN COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001591360239 1284495584 /nfs/dbraw/zinc/49/55/84/1284495584.db2.gz BGAFEAPSRZRODC-ZDUSSCGKSA-N 0 3 357.418 0.286 20 30 FCEDHN COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001591360239 1284495587 /nfs/dbraw/zinc/49/55/87/1284495587.db2.gz BGAFEAPSRZRODC-ZDUSSCGKSA-N 0 3 357.418 0.286 20 30 FCEDHN C=C(CC[NH+](C)C)C(=O)N1CCN(c2c(-c3nnn[n-]3)c(C)nn2C)CC1 ZINC001602768083 1287107851 /nfs/dbraw/zinc/10/78/51/1287107851.db2.gz QVDCHFDQUAAJSY-UHFFFAOYSA-N 0 3 373.465 0.065 20 30 FCEDHN C=C(CC[NH+](C)C)C(=O)N1CCN(c2c(-c3nn[n-]n3)c(C)nn2C)CC1 ZINC001602768083 1287107855 /nfs/dbraw/zinc/10/78/55/1287107855.db2.gz QVDCHFDQUAAJSY-UHFFFAOYSA-N 0 3 373.465 0.065 20 30 FCEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)CC1CN(S(C)(=O)=O)C1 ZINC001602858719 1287137770 /nfs/dbraw/zinc/13/77/70/1287137770.db2.gz YUIQFJPTKGRVOG-UHFFFAOYSA-N 0 3 362.459 0.746 20 30 FCEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)CC1CN(S(C)(=O)=O)C1 ZINC001602858719 1287137776 /nfs/dbraw/zinc/13/77/76/1287137776.db2.gz YUIQFJPTKGRVOG-UHFFFAOYSA-N 0 3 362.459 0.746 20 30 FCEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)CC1CN(S(C)(=O)=O)C1 ZINC001602858719 1287137779 /nfs/dbraw/zinc/13/77/79/1287137779.db2.gz YUIQFJPTKGRVOG-UHFFFAOYSA-N 0 3 362.459 0.746 20 30 FCEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)CC1CN(S(C)(=O)=O)C1 ZINC001602858719 1287137784 /nfs/dbraw/zinc/13/77/84/1287137784.db2.gz YUIQFJPTKGRVOG-UHFFFAOYSA-N 0 3 362.459 0.746 20 30 FCEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC001602853520 1287138092 /nfs/dbraw/zinc/13/80/92/1287138092.db2.gz BUGBDZUDYJNXBL-SWLSCSKDSA-N 0 3 369.429 0.248 20 30 FCEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC001602853520 1287138097 /nfs/dbraw/zinc/13/80/97/1287138097.db2.gz BUGBDZUDYJNXBL-SWLSCSKDSA-N 0 3 369.429 0.248 20 30 FCEDHN C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC001609020695 1288882641 /nfs/dbraw/zinc/88/26/41/1288882641.db2.gz COLZITRNWSHUMH-UHFFFAOYSA-N 0 3 355.402 0.185 20 30 FCEDHN C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC001609020695 1288882642 /nfs/dbraw/zinc/88/26/42/1288882642.db2.gz COLZITRNWSHUMH-UHFFFAOYSA-N 0 3 355.402 0.185 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1C[C@@H](CNCc2nccnc2C)[C@H](OCC)C1 ZINC001692028536 1289369303 /nfs/dbraw/zinc/36/93/03/1289369303.db2.gz XBWSEZFMJIISHY-LZLYRXPVSA-N 0 3 360.458 0.776 20 30 FCEDHN C=C(Cl)CNC[C@@H]1CN(C(=O)c2cccnc2C(N)=O)C[C@H]1OCC ZINC001692052660 1289377501 /nfs/dbraw/zinc/37/75/01/1289377501.db2.gz FRETYTFWWKWLOU-TZMCWYRMSA-N 0 3 366.849 1.000 20 30 FCEDHN C#CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@H](C)Cc1c[nH]cn1 ZINC001692087599 1289396755 /nfs/dbraw/zinc/39/67/55/1289396755.db2.gz JKAVJBMSTDQTMK-INMHGKMJSA-N 0 3 359.474 0.554 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)CNCc1cccc(NC(C)=O)c1 ZINC001699067077 1289545438 /nfs/dbraw/zinc/54/54/38/1289545438.db2.gz QXPJOWUFPGONIE-KURKYZTESA-N 0 3 361.442 0.803 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)N(C)Cc1cnn(C)c1 ZINC001699423104 1289554668 /nfs/dbraw/zinc/55/46/68/1289554668.db2.gz UQDNEULWPTWVBN-IMJJTQAJSA-N 0 3 363.462 0.064 20 30 FCEDHN C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001699682375 1289561874 /nfs/dbraw/zinc/56/18/74/1289561874.db2.gz MXBOOFRDHDLHSY-FXUDXRNXSA-N 0 3 351.447 0.287 20 30 FCEDHN CCN1CCN([C@@H](C)Cn2c(C)nnc2N(CCC#N)CCOC)CC1 ZINC001615840403 1289762365 /nfs/dbraw/zinc/76/23/65/1289762365.db2.gz ZWANRMUNNZOPDW-INIZCTEOSA-N 0 3 363.510 0.979 20 30 FCEDHN C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H](CC)N(C)C)C2)nn1 ZINC001739545853 1290144019 /nfs/dbraw/zinc/14/40/19/1290144019.db2.gz FJZXITGFGVZWFN-FMKPAKJESA-N 0 3 362.478 0.771 20 30 FCEDHN C=CCN1CC[C@@H](NCCN(CCO)C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1=O ZINC001754887183 1290637439 /nfs/dbraw/zinc/63/74/39/1290637439.db2.gz CXAVBIZDABNQNE-BZUAXINKSA-N 0 3 351.491 0.866 20 30 FCEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001688957734 1294552649 /nfs/dbraw/zinc/55/26/49/1294552649.db2.gz WPWOGRIHVPJLQE-YESZJQIVSA-N 0 3 368.437 0.582 20 30 FCEDHN C=C(Cl)CNC[C@@H]1CN(C(=O)c2cccn3nnnc23)C[C@H]1OCC ZINC001689065977 1294589829 /nfs/dbraw/zinc/58/98/29/1294589829.db2.gz YEKHZUOKWYQQOZ-TZMCWYRMSA-N 0 3 364.837 0.944 20 30 FCEDHN C=CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1cc(COC)on1 ZINC001689102107 1294619121 /nfs/dbraw/zinc/61/91/21/1294619121.db2.gz WZXHMUNTGHKGKL-KGLIPLIRSA-N 0 3 364.446 0.954 20 30 FCEDHN C[C@@H]1CCN(C(=O)CCc2ncccn2)[C@H](CNCC(=O)NCC#N)C1 ZINC001691848055 1294941077 /nfs/dbraw/zinc/94/10/77/1294941077.db2.gz QRHSFGWVISWRNM-CABCVRRESA-N 0 3 358.446 0.266 20 30 FCEDHN C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)CCc3nnc[n-]3)C2)C1=O ZINC001691865516 1294944939 /nfs/dbraw/zinc/94/49/39/1294944939.db2.gz IWALJJCOOSPTMC-ZNMIVQPWSA-N 0 3 360.462 0.399 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)CN(CC)CC)C1 ZINC001065632553 837403677 /nfs/dbraw/zinc/40/36/77/837403677.db2.gz TUPRGHIWHQWTGI-OAGGEKHMSA-N 0 3 353.463 0.263 20 30 FCEDHN C=C(Cl)CN[C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@@H]1n1ccnn1 ZINC001070171867 837629310 /nfs/dbraw/zinc/62/93/10/837629310.db2.gz MBIUDOXIBRSXAB-NEPJUHHUSA-N 0 3 350.814 0.123 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CCn2c(C)csc2=O)C[C@@H]1n1ccnn1 ZINC001070209004 837634099 /nfs/dbraw/zinc/63/40/99/837634099.db2.gz IJYPGRJGVJLSKZ-KGLIPLIRSA-N 0 3 362.459 0.428 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cn(C)nc2C(F)F)C[C@@H]1n1ccnn1 ZINC001070210593 837634777 /nfs/dbraw/zinc/63/47/77/837634777.db2.gz PVRIQTOQDMTKEP-NEPJUHHUSA-N 0 3 351.361 0.791 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cc(C(F)F)nn2C)C[C@@H]1n1ccnn1 ZINC001070233343 837637055 /nfs/dbraw/zinc/63/70/55/837637055.db2.gz MOROWHRFKZZESE-YPMHNXCESA-N 0 3 351.361 0.791 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1n1ccnn1 ZINC001070307229 837645370 /nfs/dbraw/zinc/64/53/70/837645370.db2.gz ZOLXRIOXHCMTAX-KFWWJZLASA-N 0 3 367.475 0.021 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cnns2)CC1 ZINC001070366301 837649529 /nfs/dbraw/zinc/64/95/29/837649529.db2.gz ARVUQNSIGBRJEW-CJNGLKHVSA-N 0 3 361.471 0.650 20 30 FCEDHN C#CCN1CC[C@@H](CN(Cc2scnc2C)C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001072134173 837743712 /nfs/dbraw/zinc/74/37/12/837743712.db2.gz GKXQLYGJJBUTDV-KFWWJZLASA-N 0 3 360.483 0.857 20 30 FCEDHN C=C(C)CN1CCCO[C@@H](CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC001073769243 837785289 /nfs/dbraw/zinc/78/52/89/837785289.db2.gz BKZXBDJCHQWEMV-XHSDSOJGSA-N 0 3 353.463 0.405 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H]1C(F)(F)F ZINC001099329344 844027469 /nfs/dbraw/zinc/02/74/69/844027469.db2.gz RCFPYUFBPVNEGP-NXEZZACHSA-N 0 3 362.352 0.482 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1C(F)(F)F ZINC001099342239 844034813 /nfs/dbraw/zinc/03/48/13/844034813.db2.gz GJZJTMMDQXNUCF-OUAUKWLOSA-N 0 3 355.382 0.233 20 30 FCEDHN CCS(=O)(=O)NCCCN1C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@]2(C)C1 ZINC001101174556 844088778 /nfs/dbraw/zinc/08/87/78/844088778.db2.gz YPNJYJHZTHTQNR-FMKPAKJESA-N 0 3 356.492 0.256 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC[C@H]1CNC(=O)CN(CC)CC ZINC001061603951 836698428 /nfs/dbraw/zinc/69/84/28/836698428.db2.gz FGBATIMLKXKWKH-OAGGEKHMSA-N 0 3 353.463 0.263 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC[C@@H]1CNC(=O)CN(C)C(C)C ZINC001061651839 836703843 /nfs/dbraw/zinc/70/38/43/836703843.db2.gz XZJKEADYRNTORB-XHSDSOJGSA-N 0 3 353.463 0.261 20 30 FCEDHN C=CCCOCC(=O)N1C[C@H]2CN(CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101483633 844205752 /nfs/dbraw/zinc/20/57/52/844205752.db2.gz ACLDEGAWHZWLGC-QAPCUYQASA-N 0 3 350.463 0.385 20 30 FCEDHN CS(=O)(=O)N1CC[C@@H](CN2C[C@@H]3CCN(C(=O)C#CC4CC4)[C@@H]3C2)C1 ZINC001075780653 837898516 /nfs/dbraw/zinc/89/85/16/837898516.db2.gz SSYNONXHJSTIGK-YESZJQIVSA-N 0 3 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30 FCEDHN C#CCOCCC(=O)N1CCO[C@@H]2CN(CCC[C@H]3CCOC3)C[C@@H]21 ZINC001217876415 855378991 /nfs/dbraw/zinc/37/89/91/855378991.db2.gz OMQZJKCKVUHJQQ-OKZBNKHCSA-N 0 3 350.459 0.755 20 30 FCEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)CNC(=O)N3CCCC3)[C@H]2C1 ZINC001217895008 855380950 /nfs/dbraw/zinc/38/09/50/855380950.db2.gz LJSQUWRGUONMAM-JKSUJKDBSA-N 0 3 350.463 0.670 20 30 FCEDHN C=CCCCN1C[C@H]2OCCN(C(=O)CN3CCCCS3(=O)=O)[C@H]2C1 ZINC001218307096 855413959 /nfs/dbraw/zinc/41/39/59/855413959.db2.gz WFMNAFWXSFIVEQ-JKSUJKDBSA-N 0 3 371.503 0.290 20 30 FCEDHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)n1nc(N)c(C#N)c1N ZINC001218659732 855459960 /nfs/dbraw/zinc/45/99/60/855459960.db2.gz KNGYTHOPNFZJMZ-LSJOCFKGSA-N 0 3 367.479 0.171 20 30 FCEDHN N#Cc1ccc(NC(=O)[C@@H]2COC3(CNC3)CN2)c(OC(F)(F)F)c1 ZINC001218839482 855485074 /nfs/dbraw/zinc/48/50/74/855485074.db2.gz CKIPIERGVLATQO-NSHDSACASA-N 0 3 356.304 0.726 20 30 FCEDHN C=CCCCNC(=S)N1C[C@]2(F)CN(CCN(C)C)C(=O)[C@]2(F)C1 ZINC001279152232 862693748 /nfs/dbraw/zinc/69/37/48/862693748.db2.gz FEIVPWVSZZHPMB-HZPDHXFCSA-N 0 3 360.474 0.963 20 30 FCEDHN C=CCOCCCC(=O)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001219426377 855667051 /nfs/dbraw/zinc/66/70/51/855667051.db2.gz ATQFTDUCUIFOLK-OAGGEKHMSA-N 0 3 353.463 0.047 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H](C)NC(=O)c2cccs2)[C@@H](O)C1 ZINC001220101759 855961179 /nfs/dbraw/zinc/96/11/79/855961179.db2.gz AZXSELATRWKGTR-MCIONIFRSA-N 0 3 351.472 0.994 20 30 FCEDHN C=CCOCCN1C[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@@H](O)C1 ZINC001220359449 856082210 /nfs/dbraw/zinc/08/22/10/856082210.db2.gz NCVFYGLFFVIDNG-RVKKMQEKSA-N 0 3 357.470 0.563 20 30 FCEDHN CCCCCCCN1C[C@@H](NC(=O)CN(C)S(=O)(=O)CC)[C@@H](O)C1 ZINC001220656451 856225552 /nfs/dbraw/zinc/22/55/52/856225552.db2.gz CDZJBDJMSGZBJA-CABCVRRESA-N 0 3 363.524 0.400 20 30 FCEDHN C=CCCCCCN1C[C@@H](NC(=O)CN(C)S(=O)(=O)CC)[C@@H](O)C1 ZINC001220656853 856227046 /nfs/dbraw/zinc/22/70/46/856227046.db2.gz SRICFOXPIMXQBJ-CABCVRRESA-N 0 3 361.508 0.176 20 30 FCEDHN C#CCCCN1CCC[C@]2(C1)CN(S(=O)(=O)c1cn(C)cn1)CCO2 ZINC001279239992 862782610 /nfs/dbraw/zinc/78/26/10/862782610.db2.gz PPCXNWKSLORBID-KRWDZBQOSA-N 0 3 366.487 0.689 20 30 FCEDHN C=CCC1(C(=O)N[C@@H]2CN(C[C@@H]3CCCOC3)C[C@@H]2O)CCOCC1 ZINC001220871496 856350350 /nfs/dbraw/zinc/35/03/50/856350350.db2.gz IVSIITINOVLAKP-BBWFWOEESA-N 0 3 352.475 0.947 20 30 FCEDHN C=CCCCCCN1C[C@@H](NC(=O)C2CCN(C(N)=O)CC2)[C@@H](O)C1 ZINC001220934400 856383339 /nfs/dbraw/zinc/38/33/39/856383339.db2.gz WVMNCQGVIDCFPJ-CVEARBPZSA-N 0 3 352.479 0.685 20 30 FCEDHN N#CCSCC(=O)N1C[C@H]2CCN(CCCO[C@H]3CCOC3)C[C@H]21 ZINC001221291524 856539729 /nfs/dbraw/zinc/53/97/29/856539729.db2.gz KAHLCKPOEMQCOZ-OWCLPIDISA-N 0 3 353.488 0.971 20 30 FCEDHN C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H](F)CN(CC)CC)[C@@H]2C1 ZINC001221588047 856614539 /nfs/dbraw/zinc/61/45/39/856614539.db2.gz RAWSEAIDZHNYIY-BZUAXINKSA-N 0 3 354.470 0.501 20 30 FCEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCN(C(N)=O)C3)[C@@H]2C1 ZINC001221677313 856651292 /nfs/dbraw/zinc/65/12/92/856651292.db2.gz HKFBCMJUNQGJMN-BZUAXINKSA-N 0 3 350.463 0.512 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)COC ZINC001225335126 857035197 /nfs/dbraw/zinc/03/51/97/857035197.db2.gz FLLQYBSTGJYOFF-MGPQQGTHSA-N 0 3 354.451 0.298 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)COCC=C ZINC001225361759 857037564 /nfs/dbraw/zinc/03/75/64/857037564.db2.gz QODFKJHBCPUDLK-ZIAGYGMSSA-N 0 3 352.435 0.218 20 30 FCEDHN COc1cc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)sn1 ZINC001226316493 857097431 /nfs/dbraw/zinc/09/74/31/857097431.db2.gz SZQCGTHLRTVQRH-GHMZBOCLSA-N 0 3 351.432 0.422 20 30 FCEDHN Cn1cc(Cl)cc1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N ZINC001227380659 857157345 /nfs/dbraw/zinc/15/73/45/857157345.db2.gz NZODXHHQMDOFKU-CHWSQXEVSA-N 0 3 351.838 0.949 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(Cl)n(C)n1 ZINC001227397333 857158407 /nfs/dbraw/zinc/15/84/07/857158407.db2.gz KZJFWCBWRSVWAN-VXGBXAGGSA-N 0 3 351.838 0.454 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCCS1(=O)=O ZINC001227750366 857174035 /nfs/dbraw/zinc/17/40/35/857174035.db2.gz FEDXQWMBCMFOFM-RBSFLKMASA-N 0 3 371.503 0.273 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1csnn1 ZINC001227776365 857176300 /nfs/dbraw/zinc/17/63/00/857176300.db2.gz OGCQXJFMHHWHIL-GHMZBOCLSA-N 0 3 366.447 0.181 20 30 FCEDHN COC1CCC(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)CC1 ZINC001228239037 857198177 /nfs/dbraw/zinc/19/81/77/857198177.db2.gz NGMWSMDHCBLTDH-QDIHITRGSA-N 0 3 350.463 0.848 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)COC[C@H]1CCOC1 ZINC001228885839 857235459 /nfs/dbraw/zinc/23/54/59/857235459.db2.gz QWCNGNXHPAAHKJ-ARFHVFGLSA-N 0 3 353.463 0.359 20 30 FCEDHN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC ZINC001228956075 857240805 /nfs/dbraw/zinc/24/08/05/857240805.db2.gz LGPRMRLKQZQRFR-OAGGEKHMSA-N 0 3 352.479 0.610 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(COC)on1 ZINC001228976835 857241661 /nfs/dbraw/zinc/24/16/61/857241661.db2.gz NBJIJYQWBRMRII-ZIAGYGMSSA-N 0 3 350.419 0.754 20 30 FCEDHN C=CCOCCN1CCC(NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1 ZINC001229178362 857256273 /nfs/dbraw/zinc/25/62/73/857256273.db2.gz NBYJIHAUTMKSJB-CVEARBPZSA-N 0 3 353.463 0.405 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnn(C(F)F)c1 ZINC001229314699 857264459 /nfs/dbraw/zinc/26/44/59/857264459.db2.gz ANUIVTPEGCFVPA-VXGBXAGGSA-N 0 3 354.361 0.549 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC(C)C)C(N)=O ZINC001230386366 857332825 /nfs/dbraw/zinc/33/28/25/857332825.db2.gz RCJZJCGMIBMBQD-RRFJBIMHSA-N 0 3 352.479 0.453 20 30 FCEDHN C=CCCN1CCS(=O)(=O)[C@@H](CCNC(=O)[C@@H]2CCN(C)[C@@H]2C)C1 ZINC001230467525 857336374 /nfs/dbraw/zinc/33/63/74/857336374.db2.gz PMCXIEOBVVPYGT-OWCLPIDISA-N 0 3 357.520 0.508 20 30 FCEDHN C=CCOC[C@H]1CN(S(=O)(=O)CCN)Cc2nnn(CC3CC3)c21 ZINC001239076539 857505871 /nfs/dbraw/zinc/50/58/71/857505871.db2.gz DHDRAPXSVVFGTK-CYBMUJFWSA-N 0 3 355.464 0.078 20 30 FCEDHN C#CCOC[C@H](O)CN1CC[C@H](Oc2ncc(Br)cn2)C1 ZINC001251847817 857760444 /nfs/dbraw/zinc/76/04/44/857760444.db2.gz NDFQRLYPFCCEAD-OLZOCXBDSA-N 0 3 356.220 0.703 20 30 FCEDHN C#CCOC[C@H](O)CN(C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC001251854834 857762043 /nfs/dbraw/zinc/76/20/43/857762043.db2.gz MPTQMMKDABFZSU-MRXNPFEDSA-N 0 3 355.479 0.482 20 30 FCEDHN C=CCOC[C@H](O)CN1C[C@@H](NC(=O)C2CCC2)[C@H]2OCCC[C@H]2C1 ZINC001252463505 857812037 /nfs/dbraw/zinc/81/20/37/857812037.db2.gz PMTDWRHYBLYECX-MLHJIOFPSA-N 0 3 352.475 0.946 20 30 FCEDHN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CCCCN1C ZINC001304581211 866536016 /nfs/dbraw/zinc/53/60/16/866536016.db2.gz RCVPVTAJLLJFGF-UKRRQHHQSA-N 0 3 364.471 0.826 20 30 FCEDHN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CCCCN1C ZINC001304581210 866536661 /nfs/dbraw/zinc/53/66/61/866536661.db2.gz RCVPVTAJLLJFGF-HIFRSBDPSA-N 0 3 364.471 0.826 20 30 FCEDHN COC(=O)[C@@]1(CN[C@H](C)CC2(C#N)CCOCC2)C[C@@H]1S(C)(=O)=O ZINC001308924131 866723225 /nfs/dbraw/zinc/72/32/25/866723225.db2.gz SJYSRXOGLCOKRF-DVOMOZLQSA-N 0 3 358.460 0.651 20 30 FCEDHN CN(CCNS(C)(=O)=O)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC001319327454 867886307 /nfs/dbraw/zinc/88/63/07/867886307.db2.gz YPKUMHHFUWTIPW-NSHDSACASA-N 0 3 366.468 0.954 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NCc2ccc([S@](C)=O)cc2)CC1 ZINC001324407181 869575965 /nfs/dbraw/zinc/57/59/65/869575965.db2.gz RVVDYAXNPOZZNU-VWLOTQADSA-N 0 3 363.483 0.807 20 30 FCEDHN Cc1nc(CC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)c(C)s1 ZINC001343377231 870391044 /nfs/dbraw/zinc/39/10/44/870391044.db2.gz JRLHXKKAWDEMGS-NSHDSACASA-N 0 3 355.441 0.268 20 30 FCEDHN COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC001328079919 871215103 /nfs/dbraw/zinc/21/51/03/871215103.db2.gz HCPUQYNTDHNJBQ-UONOGXRCSA-N 0 3 350.463 0.800 20 30 FCEDHN C#C[C@@H](C)NS(=O)(=O)CCCCS(=O)(=O)Nc1cc(C)nc(C)c1 ZINC001329220603 871896671 /nfs/dbraw/zinc/89/66/71/871896671.db2.gz SYAFEYAEMFPSHG-GFCCVEGCSA-N 0 3 373.500 0.583 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NCCOC2CCSCC2)CC1 ZINC001333138200 873817528 /nfs/dbraw/zinc/81/75/28/873817528.db2.gz LZJZXYKTSPLTJO-UHFFFAOYSA-N 0 3 355.504 0.781 20 30 FCEDHN N#Cc1cnn2c1NC[C@@H](C[NH2+]CCOc1ccc(-c3nn[n-]n3)cc1)C2 ZINC000822842404 946202872 /nfs/dbraw/zinc/20/28/72/946202872.db2.gz HFGLNWJLCHDUKN-GFCCVEGCSA-N 0 3 365.401 0.645 20 30 FCEDHN C=C(C)CC[NH+]1CCC(CO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573294251 946981990 /nfs/dbraw/zinc/98/19/90/946981990.db2.gz ZRMXUNSQCIWTEP-UHFFFAOYSA-N 0 3 359.434 0.718 20 30 FCEDHN C=C(C)CC[NH+]1CCC(CO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573294251 946981995 /nfs/dbraw/zinc/98/19/95/946981995.db2.gz ZRMXUNSQCIWTEP-UHFFFAOYSA-N 0 3 359.434 0.718 20 30 FCEDHN C[C@H](C#N)C(=O)N1CCC(O)(C[NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573564183 946989966 /nfs/dbraw/zinc/98/99/66/946989966.db2.gz HNFPTABBMIIBOB-CYBMUJFWSA-N 0 3 369.429 0.469 20 30 FCEDHN C[C@H](C#N)C(=O)N1CCC(O)(C[NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573564183 946989970 /nfs/dbraw/zinc/98/99/70/946989970.db2.gz HNFPTABBMIIBOB-CYBMUJFWSA-N 0 3 369.429 0.469 20 30 FCEDHN C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573298315 947073346 /nfs/dbraw/zinc/07/33/46/947073346.db2.gz CGHCQAALSFMDLS-MRXNPFEDSA-N 0 3 371.445 0.543 20 30 FCEDHN C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573298315 947073358 /nfs/dbraw/zinc/07/33/58/947073358.db2.gz CGHCQAALSFMDLS-MRXNPFEDSA-N 0 3 371.445 0.543 20 30 FCEDHN C[C@H](C#N)C(=O)NCC1([NH2+]Cc2ccccc2-c2nnn[n-]2)CCOCC1 ZINC001573575759 947143362 /nfs/dbraw/zinc/14/33/62/947143362.db2.gz AUZQYQRYEUVVGV-CYBMUJFWSA-N 0 3 369.429 0.781 20 30 FCEDHN C[C@H](C#N)C(=O)NCC1([NH2+]Cc2ccccc2-c2nn[n-]n2)CCOCC1 ZINC001573575759 947143370 /nfs/dbraw/zinc/14/33/70/947143370.db2.gz AUZQYQRYEUVVGV-CYBMUJFWSA-N 0 3 369.429 0.781 20 30 FCEDHN C=CCOCC[NH+]1CCC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC1 ZINC001573347306 947572766 /nfs/dbraw/zinc/57/27/66/947572766.db2.gz BPYHQSOHOHVUKT-UHFFFAOYSA-N 0 3 371.445 0.935 20 30 FCEDHN C=CCOCC[NH+]1CCC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC1 ZINC001573347306 947572769 /nfs/dbraw/zinc/57/27/69/947572769.db2.gz BPYHQSOHOHVUKT-UHFFFAOYSA-N 0 3 371.445 0.935 20 30 FCEDHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]Cc1ccc(C#N)cc1 ZINC001574995980 950522221 /nfs/dbraw/zinc/52/22/21/950522221.db2.gz JDOQIVRJFSUDJM-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]Cc1ccc(C#N)cc1 ZINC001574995980 950522231 /nfs/dbraw/zinc/52/22/31/950522231.db2.gz JDOQIVRJFSUDJM-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN CN1CCC(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 ZINC000248120745 530050403 /nfs/dbraw/zinc/05/04/03/530050403.db2.gz JYJRSBRKXSKJSA-UHFFFAOYSA-N 0 3 350.444 0.703 20 30 FCEDHN CN(C)CC#CCNC(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000930667536 674048309 /nfs/dbraw/zinc/04/83/09/674048309.db2.gz SHXFKBNAWKILRG-UHFFFAOYSA-N 0 3 368.434 0.953 20 30 FCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)CC2)o1 ZINC000333034453 215227130 /nfs/dbraw/zinc/22/71/30/215227130.db2.gz CSIZVUCHNKVGIO-XKQJLSEDSA-N 0 3 373.457 0.906 20 30 FCEDHN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CNCCO2)cc1 ZINC000414895162 245327998 /nfs/dbraw/zinc/32/79/98/245327998.db2.gz MNDCRYJDSZBRKW-CQSZACIVSA-N 0 3 368.459 0.603 20 30 FCEDHN N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@H](CN)C3CC3)C2=O)cc1 ZINC000418908596 245902139 /nfs/dbraw/zinc/90/21/39/245902139.db2.gz NCAMMSJRWFIEND-JKSUJKDBSA-N 0 3 369.425 0.023 20 30 FCEDHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000419947881 246382310 /nfs/dbraw/zinc/38/23/10/246382310.db2.gz DODQGNZZROWOFG-OAHLLOKOSA-N 0 3 358.446 0.091 20 30 FCEDHN CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000419958889 246389015 /nfs/dbraw/zinc/38/90/15/246389015.db2.gz QNWQFCIDMUYPDZ-HNNXBMFYSA-N 0 3 358.446 0.091 20 30 FCEDHN C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)[C@H]1CN ZINC000423748049 247137773 /nfs/dbraw/zinc/13/77/73/247137773.db2.gz ZFAFAQXXUGQMKR-BMFZPTHFSA-N 0 3 371.441 0.519 20 30 FCEDHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](N)CCCC#N)CC2)cc1 ZINC000424073721 247166244 /nfs/dbraw/zinc/16/62/44/247166244.db2.gz FZRDMZSLBPCZFB-MRXNPFEDSA-N 0 3 364.471 0.849 20 30 FCEDHN N#CCCC[C@H](N)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000424136486 247172656 /nfs/dbraw/zinc/17/26/56/247172656.db2.gz KRTWPQMQPBIWHO-ROUUACIJSA-N 0 3 369.469 0.957 20 30 FCEDHN N#CCCC[C@H](N)C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000424158649 247174022 /nfs/dbraw/zinc/17/40/22/247174022.db2.gz RNMJFAVKRZEKQX-KRWDZBQOSA-N 0 3 357.458 0.468 20 30 FCEDHN CCN(CC)CCN(C(=O)[C@@H](N)CCCC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000424194922 247176446 /nfs/dbraw/zinc/17/64/46/247176446.db2.gz SLQUTKCADMOIOO-CABCVRRESA-N 0 3 358.508 0.365 20 30 FCEDHN Cc1c(C#N)cccc1NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424447909 247219670 /nfs/dbraw/zinc/21/96/70/247219670.db2.gz NAFZWVVLMBSOPP-LSDHHAIUSA-N 0 3 352.398 0.492 20 30 FCEDHN COCCN(C)CCN1C[C@@H](NC(=O)Cc2ccc(C#N)cc2)CC1=O ZINC000425314357 247320582 /nfs/dbraw/zinc/32/05/82/247320582.db2.gz JFMTWGWZSQGWLP-KRWDZBQOSA-N 0 3 358.442 0.396 20 30 FCEDHN C=CCn1cc(CNC(=O)NCc2ccnc(OCCN(C)C)c2)nn1 ZINC000425493044 247347122 /nfs/dbraw/zinc/34/71/22/247347122.db2.gz PXEQNJIZCBRKSY-UHFFFAOYSA-N 0 3 359.434 0.799 20 30 FCEDHN C#CCN(C)CCCNC(=O)Nc1nc2c(s1)CS(=O)(=O)CC2 ZINC000931739154 674132788 /nfs/dbraw/zinc/13/27/88/674132788.db2.gz RQQRKGLEHZHZFR-UHFFFAOYSA-N 0 3 356.473 0.691 20 30 FCEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](S(N)(=O)=O)C1)C(C)C ZINC000444845014 248369063 /nfs/dbraw/zinc/36/90/63/248369063.db2.gz GARYDEYUUYZNEC-LSDHHAIUSA-N 0 3 358.508 0.757 20 30 FCEDHN CN(C)CCOCCNC(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000471656376 250113093 /nfs/dbraw/zinc/11/30/93/250113093.db2.gz CCFBWLZHXUTKAV-IFXJQAMLSA-N 0 3 371.441 0.620 20 30 FCEDHN Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCCN(C)[C@@H]3C)CC2)c1C#N ZINC000472060740 250130278 /nfs/dbraw/zinc/13/02/78/250130278.db2.gz XZFFADWBJWAMAU-ZBFHGGJFSA-N 0 3 359.478 0.915 20 30 FCEDHN CCN1CCN([C@@H](C)CNC(=O)CNC(=O)c2ccc(C#N)cc2)CC1 ZINC000474067084 250267608 /nfs/dbraw/zinc/26/76/08/250267608.db2.gz MUZWSKYQONMSPJ-HNNXBMFYSA-N 0 3 357.458 0.430 20 30 FCEDHN CCOC(=O)c1c(NC(=O)NCCN(C)C)c(C#N)cn1CCOC ZINC000481435654 250335838 /nfs/dbraw/zinc/33/58/38/250335838.db2.gz ANUIWKYKEXQJOL-UHFFFAOYSA-N 0 3 351.407 0.866 20 30 FCEDHN CCOC(=O)CNC(=O)C1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000269698297 211049019 /nfs/dbraw/zinc/04/90/19/211049019.db2.gz XUJYFDCBTVLMNQ-KRWDZBQOSA-N 0 3 359.426 0.983 20 30 FCEDHN CCOC[C@@H]1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000081520015 208100688 /nfs/dbraw/zinc/10/06/88/208100688.db2.gz SXWDWYXKTXDMHP-OAHLLOKOSA-N 0 3 361.446 0.862 20 30 FCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H]3C(C)(C)O)CC2)o1 ZINC000119078471 208354377 /nfs/dbraw/zinc/35/43/77/208354377.db2.gz BZJWWANQWOBHMX-OAHLLOKOSA-N 0 3 361.446 0.739 20 30 FCEDHN CCN1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000120777731 208389371 /nfs/dbraw/zinc/38/93/71/208389371.db2.gz ISOROWCOWOVLLQ-AWEZNQCLSA-N 0 3 364.471 0.779 20 30 FCEDHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(CCC#N)CCC#N ZINC000189431690 229254793 /nfs/dbraw/zinc/25/47/93/229254793.db2.gz LEYZDLWIIQYSJG-UHFFFAOYSA-N 0 3 352.464 0.880 20 30 FCEDHN CN(C)[C@]1(CNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CCSC1 ZINC000330087084 229744670 /nfs/dbraw/zinc/74/46/70/229744670.db2.gz SRNWTGCBCTVBPM-OCCSQVGLSA-N 0 3 364.537 0.351 20 30 FCEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)CC1 ZINC000287539350 488879448 /nfs/dbraw/zinc/87/94/48/488879448.db2.gz GUMWPZPCRQRDNK-RDTXWAMCSA-N 0 3 363.462 0.799 20 30 FCEDHN CN1CCN(CCNC(=O)CCn2nc3ccccn3c2=O)CC1(C)C ZINC000328689911 488930345 /nfs/dbraw/zinc/93/03/45/488930345.db2.gz DDRRVPYAWPVMHN-UHFFFAOYSA-N 0 3 360.462 0.869 20 30 FCEDHN COCCN1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000328815205 488940974 /nfs/dbraw/zinc/94/09/74/488940974.db2.gz OCVCUDHBAQVQMN-MRXNPFEDSA-N 0 3 368.478 0.334 20 30 FCEDHN C[C@H](CNC(=O)N1CCC(Cn2ccnn2)CC1)CN1CCN(C)CC1 ZINC000328781574 488937597 /nfs/dbraw/zinc/93/75/97/488937597.db2.gz HJFNKWDVMYKHHQ-MRXNPFEDSA-N 0 3 363.510 0.788 20 30 FCEDHN CCS(=O)(=O)N1CCC(NC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000328792710 488938692 /nfs/dbraw/zinc/93/86/92/488938692.db2.gz AKADPRRUKMJCOI-SWLSCSKDSA-N 0 3 358.508 0.787 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000288137635 488948434 /nfs/dbraw/zinc/94/84/34/488948434.db2.gz CQIQDUKOFPXBSY-UHFFFAOYSA-N 0 3 368.478 0.736 20 30 FCEDHN C[C@@H]1CN(CC(=O)NCC(=O)N2CCCC2)CC[C@@H]1N1CCN(C)CC1 ZINC000328928362 488952097 /nfs/dbraw/zinc/95/20/97/488952097.db2.gz GLDHVJXECNAAJQ-SJORKVTESA-N 0 3 365.522 0.523 20 30 FCEDHN CN1CCC2(CCCN2C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000329088746 488967674 /nfs/dbraw/zinc/96/76/74/488967674.db2.gz VUYQMHHKEQRMJS-CQSZACIVSA-N 0 3 358.508 0.742 20 30 FCEDHN CN1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)[C@@H](CN)C1 ZINC000562814186 491191130 /nfs/dbraw/zinc/19/11/30/491191130.db2.gz RGVJXBGOHNJHFP-CGZBRXJRSA-N 0 3 372.473 0.928 20 30 FCEDHN CN1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)[C@H](CN)C1 ZINC000562814185 491191330 /nfs/dbraw/zinc/19/13/30/491191330.db2.gz RGVJXBGOHNJHFP-AQFXKWCLSA-N 0 3 372.473 0.928 20 30 FCEDHN CN(C)C[C@@H](CO)NC(=O)COc1cccc(Br)c1C#N ZINC000597654553 492056590 /nfs/dbraw/zinc/05/65/90/492056590.db2.gz UAAVVPGQBHJVKT-JTQLQIEISA-N 0 3 356.220 0.738 20 30 FCEDHN CN1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)[C@H](CN)C1 ZINC000569813282 491194702 /nfs/dbraw/zinc/19/47/02/491194702.db2.gz CYBGZOQGHYZPIY-LLVKDONJSA-N 0 3 362.377 0.840 20 30 FCEDHN COCCN(C)CCNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C ZINC000268222042 488398090 /nfs/dbraw/zinc/39/80/90/488398090.db2.gz WWOCIRACCBXCPY-CQSZACIVSA-N 0 3 361.450 0.147 20 30 FCEDHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000077538788 488415304 /nfs/dbraw/zinc/41/53/04/488415304.db2.gz KWXQZTYOOUNKGO-ZDUSSCGKSA-N 0 3 361.421 0.778 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC)C(=O)N2CCOCC2)CC1 ZINC000084437968 488450212 /nfs/dbraw/zinc/45/02/12/488450212.db2.gz FVJJDXLGMRHNQM-MRXNPFEDSA-N 0 3 352.479 0.964 20 30 FCEDHN C=CCNC(=O)NC(=O)CN1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000104087670 488504377 /nfs/dbraw/zinc/50/43/77/488504377.db2.gz RAWAEIAWSMXOIT-UHFFFAOYSA-N 0 3 373.501 0.748 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000106275272 488513220 /nfs/dbraw/zinc/51/32/20/488513220.db2.gz NZQHOWMZRPSSHM-OAHLLOKOSA-N 0 3 358.508 0.750 20 30 FCEDHN C[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000554519483 491207613 /nfs/dbraw/zinc/20/76/13/491207613.db2.gz RVYSWDVWNGLNPQ-LZWOXQAQSA-N 0 3 356.492 0.698 20 30 FCEDHN CS[C@@H]1CN(C(=O)CCNC(=O)C2N=CC=CC2=O)C[C@@H]1N(C)C ZINC000271769977 488544905 /nfs/dbraw/zinc/54/49/05/488544905.db2.gz INILLUQZDXTBFT-ADZRIMHTSA-N 0 3 352.460 0.407 20 30 FCEDHN CS[C@H]1CN(C(=O)CCNC(=O)C2N=CC=CC2=O)C[C@@H]1N(C)C ZINC000271769978 488545045 /nfs/dbraw/zinc/54/50/45/488545045.db2.gz INILLUQZDXTBFT-CQAQQOGRSA-N 0 3 352.460 0.407 20 30 FCEDHN C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000272075131 488561591 /nfs/dbraw/zinc/56/15/91/488561591.db2.gz VPJOAHZHTMYIPD-UHFFFAOYSA-N 0 3 362.430 0.292 20 30 FCEDHN Cc1ccc(S(=O)(=O)NCCNC[C@H](O)CN(C)CCC#N)s1 ZINC000562995842 491206638 /nfs/dbraw/zinc/20/66/38/491206638.db2.gz GFPCTEVWMYCDEO-ZDUSSCGKSA-N 0 3 360.505 0.131 20 30 FCEDHN C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c1 ZINC000272374685 488576699 /nfs/dbraw/zinc/57/66/99/488576699.db2.gz BBGXURHLAZTWPS-WMLDXEAASA-N 0 3 361.467 0.764 20 30 FCEDHN N#Cc1ccc2ncc(CNCCN3CCN(c4ncccn4)CC3)n2c1 ZINC000123358802 488584793 /nfs/dbraw/zinc/58/47/93/488584793.db2.gz VKFWNOQGUMNFHN-UHFFFAOYSA-N 0 3 362.441 0.908 20 30 FCEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@@H](CNS(N)(=O)=O)C2)cc1 ZINC000263709319 488620738 /nfs/dbraw/zinc/62/07/38/488620738.db2.gz AIDCCQNHEAUDEQ-AWEZNQCLSA-N 0 3 365.459 0.392 20 30 FCEDHN 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C=CCc1cc(CNC(=O)C(=O)N[C@H](CN)C2CC2)cc(OC)c1OC ZINC000419366762 534414956 /nfs/dbraw/zinc/41/49/56/534414956.db2.gz VZLQJPJHCSVXNF-OAHLLOKOSA-N 0 3 361.442 0.902 20 30 FCEDHN C=CCN1C(=O)C(=O)N(CC(=O)N(CC(C)C)C2CCN(C)CC2)C1=O ZINC000264988447 526391614 /nfs/dbraw/zinc/39/16/14/526391614.db2.gz MGUTUFCMJWVGCQ-UHFFFAOYSA-N 0 3 364.446 0.542 20 30 FCEDHN C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C1=O ZINC000410885681 526488318 /nfs/dbraw/zinc/48/83/18/526488318.db2.gz XGZKYPORRYJQOY-CVEARBPZSA-N 0 3 362.474 0.319 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCCNC(=O)c2cccnc2)CC1 ZINC000284623744 526578241 /nfs/dbraw/zinc/57/82/41/526578241.db2.gz QXCJIHGLAMUGRR-UHFFFAOYSA-N 0 3 373.457 0.084 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000408095774 526589297 /nfs/dbraw/zinc/58/92/97/526589297.db2.gz QDLBFAPXAUEKHZ-UHFFFAOYSA-N 0 3 358.508 0.750 20 30 FCEDHN C=CCNS(=O)(=O)c1ccc(C(=O)N(CCOC)CCN(C)C)cc1 ZINC000264187397 526667633 /nfs/dbraw/zinc/66/76/33/526667633.db2.gz NUEZUDKQXLSSKA-UHFFFAOYSA-N 0 3 369.487 0.801 20 30 FCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000293304816 526801878 /nfs/dbraw/zinc/80/18/78/526801878.db2.gz HRZLJPCDPDKGFL-OAHLLOKOSA-N 0 3 359.426 0.864 20 30 FCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(F)ccc1OCCOC ZINC000293455545 526801926 /nfs/dbraw/zinc/80/19/26/526801926.db2.gz SXCYJXAJBLTNTB-UHFFFAOYSA-N 0 3 365.405 0.861 20 30 FCEDHN C#CCNC(=O)CN1CCCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000156255831 526998914 /nfs/dbraw/zinc/99/89/14/526998914.db2.gz SAUOVPPMMQPWLU-UHFFFAOYSA-N 0 3 356.470 0.646 20 30 FCEDHN C#CCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000081297498 527042258 /nfs/dbraw/zinc/04/22/58/527042258.db2.gz IILJXJMZEQZLEF-CQSZACIVSA-N 0 3 356.426 0.398 20 30 FCEDHN C#CCNS(=O)(=O)c1ccc(C(=O)N(CCOC)CCN(C)C)cc1 ZINC000264124264 527046372 /nfs/dbraw/zinc/04/63/72/527046372.db2.gz DICJOWARZSAFDE-UHFFFAOYSA-N 0 3 367.471 0.248 20 30 FCEDHN C=CC[C@@H](CO)CNC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413615612 527061613 /nfs/dbraw/zinc/06/16/13/527061613.db2.gz HVBDDYBWYKHRTO-MRXNPFEDSA-N 0 3 354.495 0.267 20 30 FCEDHN C#CCOc1cccc(NC(=O)C(=O)NC2CCN(CCN(C)C)CC2)c1 ZINC000108606229 527118824 /nfs/dbraw/zinc/11/88/24/527118824.db2.gz WUKIYMIBISOYOI-UHFFFAOYSA-N 0 3 372.469 0.779 20 30 FCEDHN C#CCOc1cccc(NC(=O)C(=O)NCCCN2CCN(CC)CC2)c1 ZINC000264583410 527120066 /nfs/dbraw/zinc/12/00/66/527120066.db2.gz YKBWGZFWQZMFTB-UHFFFAOYSA-N 0 3 372.469 0.781 20 30 FCEDHN C=CCC[C@H](CO)NC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413616926 527469432 /nfs/dbraw/zinc/46/94/32/527469432.db2.gz JDYAPFTUMZTOPQ-MRXNPFEDSA-N 0 3 354.495 0.409 20 30 FCEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cn1cc(S(N)(=O)=O)cn1)C(C)C ZINC000267856931 527644962 /nfs/dbraw/zinc/64/49/62/527644962.db2.gz HIRHCBKMYPILQA-HNNXBMFYSA-N 0 3 369.491 0.345 20 30 FCEDHN C=CCN(CC=C)[C@@H](CNC(=O)Cn1ncn2nccc2c1=O)C(C)C ZINC000112403608 527645314 /nfs/dbraw/zinc/64/53/14/527645314.db2.gz FGIALAAJPXTQAQ-INIZCTEOSA-N 0 3 358.446 0.706 20 30 FCEDHN COCCN(C)CCN1C[C@H](NC(=O)c2cccc(C#N)c2C)CC1=O ZINC000425325509 536799586 /nfs/dbraw/zinc/79/95/86/536799586.db2.gz XGORVFFHSQMZQF-MRXNPFEDSA-N 0 3 358.442 0.776 20 30 FCEDHN CN(CCC#N)C[C@H](O)CNCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000591760078 546599537 /nfs/dbraw/zinc/59/95/37/546599537.db2.gz DDSCVTCQQWNFIY-QGZVFWFLSA-N 0 3 366.487 0.522 20 30 FCEDHN CO[C@@H](CN)CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000278199537 546869916 /nfs/dbraw/zinc/86/99/16/546869916.db2.gz GGCRHCQZIASDET-PETKRDDUSA-N 0 3 368.459 0.802 20 30 FCEDHN CCCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCN(C)C1 ZINC000592831483 546958669 /nfs/dbraw/zinc/95/86/69/546958669.db2.gz NBKQQKOUVRRMOZ-HNNXBMFYSA-N 0 3 364.471 0.779 20 30 FCEDHN N#Cc1ccc(F)c(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000822829766 599457768 /nfs/dbraw/zinc/45/77/68/599457768.db2.gz HZMCDQBBSZVFNA-LLVKDONJSA-N 0 3 353.365 0.905 20 30 FCEDHN N#Cc1ccc(F)c(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000822829766 599457769 /nfs/dbraw/zinc/45/77/69/599457769.db2.gz HZMCDQBBSZVFNA-LLVKDONJSA-N 0 3 353.365 0.905 20 30 FCEDHN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1C#N ZINC000826077891 608022004 /nfs/dbraw/zinc/02/20/04/608022004.db2.gz YZWOBHMROVSSGD-UHFFFAOYSA-N 0 3 365.401 0.795 20 30 FCEDHN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1C#N ZINC000826077891 608022005 /nfs/dbraw/zinc/02/20/05/608022005.db2.gz YZWOBHMROVSSGD-UHFFFAOYSA-N 0 3 365.401 0.795 20 30 FCEDHN C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000823903954 608035201 /nfs/dbraw/zinc/03/52/01/608035201.db2.gz ORIGOWBVXGGOSH-LBPRGKRZSA-N 0 3 373.465 0.626 20 30 FCEDHN C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000823903954 608035202 /nfs/dbraw/zinc/03/52/02/608035202.db2.gz ORIGOWBVXGGOSH-LBPRGKRZSA-N 0 3 373.465 0.626 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](N(C)CCN2CCNC2=O)C1 ZINC000971559024 663397652 /nfs/dbraw/zinc/39/76/52/663397652.db2.gz QDBRKRISDAZJMU-OAGGEKHMSA-N 0 3 350.463 0.526 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)CC(C)(F)F)C[C@H]2O)CC1 ZINC001024131515 663890280 /nfs/dbraw/zinc/89/02/80/663890280.db2.gz IIJFNJXBQMXCHF-ZIAGYGMSSA-N 0 3 357.401 0.065 20 30 FCEDHN C=CCNS(=O)(=O)c1cc(C(=O)NCC#CCN(C)C)ccc1F ZINC000913516718 666531504 /nfs/dbraw/zinc/53/15/04/666531504.db2.gz BVFRHNWBWWTZES-UHFFFAOYSA-N 0 3 353.419 0.585 20 30 FCEDHN Cc1ccc(OCC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 ZINC000732909781 666910820 /nfs/dbraw/zinc/91/08/20/666910820.db2.gz GOIIVSRQNHLFNY-AWEZNQCLSA-N 0 3 350.396 0.340 20 30 FCEDHN N#CC(C(=O)CCCOc1ccccc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000732910478 666912009 /nfs/dbraw/zinc/91/20/09/666912009.db2.gz QIRJPEJXJYBSRE-HNNXBMFYSA-N 0 3 364.423 0.811 20 30 FCEDHN Cc1cccc(O[C@@H](C)C(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)c1 ZINC000732911328 666912317 /nfs/dbraw/zinc/91/23/17/666912317.db2.gz ZWWZBFAEGPNFEX-DZGCQCFKSA-N 0 3 364.423 0.728 20 30 FCEDHN COc1ccc(NC(=O)C(C#N)C(=O)CN(C)S(C)(=O)=O)cc1Cl ZINC000916941283 667040722 /nfs/dbraw/zinc/04/07/22/667040722.db2.gz RQUPCUSCTDLPDN-SNVBAGLBSA-N 0 3 373.818 0.887 20 30 FCEDHN N#CC(C(=O)CCSc1ccccn1)C(=O)N1CCS(=O)(=O)CC1 ZINC000756274313 667668972 /nfs/dbraw/zinc/66/89/72/667668972.db2.gz CICBKKPVEKYUKL-LBPRGKRZSA-N 0 3 367.452 0.530 20 30 FCEDHN C#CCNS(=O)(=O)c1ccc(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)cc1 ZINC000923306243 667823854 /nfs/dbraw/zinc/82/38/54/667823854.db2.gz JISUZDSAKCIVSV-JKSUJKDBSA-N 0 3 361.467 0.907 20 30 FCEDHN C[C@H](CC(=O)NCCC[NH+](C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742465530 668035932 /nfs/dbraw/zinc/03/59/32/668035932.db2.gz JEQMXAPLTVEKDV-GFCCVEGCSA-N 0 3 352.460 0.572 20 30 FCEDHN CN1CCC(n2c(=O)c(=Cc3cncs3)sc2=C(C#N)C#N)CC1 ZINC000767885804 668063219 /nfs/dbraw/zinc/06/32/19/668063219.db2.gz YRIIRCWYBXVDQY-UHFFFAOYSA-N 0 3 357.464 0.660 20 30 FCEDHN C#CCN1CCC(C(=O)NCc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000782532395 668566351 /nfs/dbraw/zinc/56/63/51/668566351.db2.gz JNIZNQCXDZWXKH-UHFFFAOYSA-N 0 3 363.483 0.898 20 30 FCEDHN CN(CC(=O)C(C#N)C(=O)NCc1ccc(F)cc1F)S(C)(=O)=O ZINC000786554082 668764510 /nfs/dbraw/zinc/76/45/10/668764510.db2.gz KOBMVCSATGTZEA-LLVKDONJSA-N 0 3 359.354 0.181 20 30 FCEDHN C#CCN(C)CCCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000818609216 668920795 /nfs/dbraw/zinc/92/07/95/668920795.db2.gz OUSFPVQBMCAIKS-UHFFFAOYSA-N 0 3 353.444 0.749 20 30 FCEDHN C#CCN(C)CCCNC(=O)Cc1ccc(S(=O)(=O)NCC=C)s1 ZINC000823188842 669325837 /nfs/dbraw/zinc/32/58/37/669325837.db2.gz ZAADBCFJVHNNIX-UHFFFAOYSA-N 0 3 369.512 0.826 20 30 FCEDHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@](O)(CC#N)C1 ZINC000828045599 669612334 /nfs/dbraw/zinc/61/23/34/669612334.db2.gz ULVXRMWUUORGHC-GXSJLCMTSA-N 0 3 358.338 0.551 20 30 FCEDHN C[C@@H](CC(=O)N1CCC([NH3+])CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000832194943 669891284 /nfs/dbraw/zinc/89/12/84/669891284.db2.gz BFTIYUWSHFTXSO-NSHDSACASA-N 0 3 350.444 0.453 20 30 FCEDHN C[C@H](CC(=O)N1CCC([NH3+])CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000832194942 669891359 /nfs/dbraw/zinc/89/13/59/669891359.db2.gz BFTIYUWSHFTXSO-LLVKDONJSA-N 0 3 350.444 0.453 20 30 FCEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 ZINC000815083400 669898897 /nfs/dbraw/zinc/89/88/97/669898897.db2.gz WNWLWJKTDNBDIW-UHFFFAOYSA-N 0 3 353.444 0.887 20 30 FCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(CS(C)(=O)=O)c1 ZINC000815861311 669925804 /nfs/dbraw/zinc/92/58/04/669925804.db2.gz BJAJXFMOXXLEIT-UHFFFAOYSA-N 0 3 365.455 0.241 20 30 FCEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc(CC(=O)OC)c(F)c1 ZINC000817141428 669998826 /nfs/dbraw/zinc/99/88/26/669998826.db2.gz JPCWAILEQKWUNK-UHFFFAOYSA-N 0 3 356.419 0.775 20 30 FCEDHN C#CCN(C)CCCNC(=O)NC1CCN(S(=O)(=O)CCC)CC1 ZINC000836220565 670039683 /nfs/dbraw/zinc/03/96/83/670039683.db2.gz YKTUYJVSHIXZIK-UHFFFAOYSA-N 0 3 358.508 0.445 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)c3cccs3)C[C@@H]2O)CC1 ZINC000966005293 675121100 /nfs/dbraw/zinc/12/11/00/675121100.db2.gz YKPDXAHUQNAPIB-CABCVRRESA-N 0 3 361.467 0.395 20 30 FCEDHN 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ZINC001130059773 1201487919 /nfs/dbraw/zinc/48/79/19/1201487919.db2.gz YEQXZQCNSLVQQQ-CABCVRRESA-N 0 3 360.418 0.741 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2cnccc2N(C)C)C[C@@H]1n1ccnn1 ZINC001130088610 1201496763 /nfs/dbraw/zinc/49/67/63/1201496763.db2.gz ADVKDHWZQPRBFZ-WBVHZDCISA-N 0 3 353.430 0.418 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CO[C@H](C)c2nccn2C)C[C@@H]1n1ccnn1 ZINC001130109791 1201503915 /nfs/dbraw/zinc/50/39/15/1201503915.db2.gz HNJRVTJZFABPHZ-KFWWJZLASA-N 0 3 359.434 0.317 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001130129611 1201508741 /nfs/dbraw/zinc/50/87/41/1201508741.db2.gz PHTCWVDAUXETHR-BBWFWOEESA-N 0 3 363.462 0.639 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H]2CCCO2)[n-]1 ZINC001130187996 1201528809 /nfs/dbraw/zinc/52/88/09/1201528809.db2.gz TZCHVYQHTGIVLW-ILXRZTDVSA-N 0 3 361.446 0.475 20 30 FCEDHN O=C(N=C(NO)c1ccc(OC(F)(F)F)cc1)[C@H]1COC2(CNC2)CN1 ZINC001219914311 1224679777 /nfs/dbraw/zinc/67/97/77/1224679777.db2.gz NZYMDWIDLWTLLJ-LLVKDONJSA-N 0 3 374.319 0.168 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2cc(C)on2)[n-]1 ZINC001130198452 1201533528 /nfs/dbraw/zinc/53/35/28/1201533528.db2.gz LPJPTNMIGJNQMG-KBPBESRZSA-N 0 3 358.402 0.055 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H]2CCCCO2)[n-]1 ZINC001130198439 1201534034 /nfs/dbraw/zinc/53/40/34/1201534034.db2.gz LEYMJAVVFQKUMP-KKUMJFAQSA-N 0 3 361.446 0.475 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccn2C)[n-]1 ZINC001130184643 1201536924 /nfs/dbraw/zinc/53/69/24/1201536924.db2.gz CJEGDOMQYKIMEU-ZFWWWQNUSA-N 0 3 356.430 0.559 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[C@H]2CCCO2)[n-]1 ZINC001130184825 1201536967 /nfs/dbraw/zinc/53/69/67/1201536967.db2.gz HXUMKWZHLQXZLR-ILXRZTDVSA-N 0 3 361.446 0.475 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCc2ncc[nH]2)[n-]1 ZINC001130207625 1201541564 /nfs/dbraw/zinc/54/15/64/1201541564.db2.gz JJVRQXMZRCKYBH-KBPBESRZSA-N 0 3 371.445 0.262 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2n[nH]cc2C)[n-]1 ZINC001130210201 1201543996 /nfs/dbraw/zinc/54/39/96/1201543996.db2.gz ZFZWLPILOKNTGI-STQMWFEESA-N 0 3 357.418 0.252 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cncc(F)c2)[n-]1 ZINC001130200318 1201547766 /nfs/dbraw/zinc/54/77/66/1201547766.db2.gz HTWUJYZXKANOIX-KBPBESRZSA-N 0 3 358.377 0.364 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCCCO2)[n-]1 ZINC001130200689 1201548897 /nfs/dbraw/zinc/54/88/97/1201548897.db2.gz RXYHSPXPKWCPRK-ZNMIVQPWSA-N 0 3 361.446 0.475 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@](C)(O)C2CC2)[n-]1 ZINC001130203016 1201550137 /nfs/dbraw/zinc/55/01/37/1201550137.db2.gz PNEOTPKQHVOUMU-DEYYWGMASA-N 0 3 361.446 0.067 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c[nH]nc2C(C)C)[n-]1 ZINC001130221077 1201550619 /nfs/dbraw/zinc/55/06/19/1201550619.db2.gz SRACIHYCNCBANG-JSGCOSHPSA-N 0 3 371.445 0.677 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)[nH]c2C)[n-]1 ZINC001130239971 1201550824 /nfs/dbraw/zinc/55/08/24/1201550824.db2.gz FZBDQDWUYPIOOE-ZFWWWQNUSA-N 0 3 356.430 0.775 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)COCC(F)F)[n-]1 ZINC001130225132 1201554540 /nfs/dbraw/zinc/55/45/40/1201554540.db2.gz UKPXYHIBJPOPDH-RYUDHWBXSA-N 0 3 371.388 0.188 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(OC)ccn2)[n-]1 ZINC001130227804 1201555355 /nfs/dbraw/zinc/55/53/55/1201555355.db2.gz QFJUJQPPZCUXDK-ZFWWWQNUSA-N 0 3 370.413 0.234 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCc2ccccn2)[n-]1 ZINC001130228002 1201555498 /nfs/dbraw/zinc/55/54/98/1201555498.db2.gz ZFGOQSNTOAHZHM-HOTGVXAUSA-N 0 3 368.441 0.544 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ocnc2C2CC2)[n-]1 ZINC001130237753 1201560163 /nfs/dbraw/zinc/56/01/63/1201560163.db2.gz CSPXPSKXPHUVEV-STQMWFEESA-N 0 3 370.413 0.695 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cn(CC)nc2C)[n-]1 ZINC001130242113 1201562544 /nfs/dbraw/zinc/56/25/44/1201562544.db2.gz GEBMXKSIEQENHY-ZFWWWQNUSA-N 0 3 371.445 0.355 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCc2cn[nH]c2)[n-]1 ZINC001130242241 1201562752 /nfs/dbraw/zinc/56/27/52/1201562752.db2.gz NQKZBPVQJNDRDI-GJZGRUSLSA-N 0 3 371.445 0.262 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2ccccc2F)[n-]1 ZINC001130248924 1201567415 /nfs/dbraw/zinc/56/74/15/1201567415.db2.gz APYLBXXTROIRJG-HOCLYGCPSA-N 0 3 371.416 0.898 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)c2cnn(C)c2)[n-]1 ZINC001130258166 1201572033 /nfs/dbraw/zinc/57/20/33/1201572033.db2.gz NWRVPEXODVEONT-SNPRPXQTSA-N 0 3 371.445 0.053 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCn2cccn2)CC1 ZINC001130274635 1201574961 /nfs/dbraw/zinc/57/49/61/1201574961.db2.gz WWMJBCOUJJHTNM-APWZRJJASA-N 0 3 359.474 0.935 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@@H](C)NC(N)=O)CC1 ZINC001130288642 1201577350 /nfs/dbraw/zinc/57/73/50/1201577350.db2.gz UVCNKIURHYLQFJ-MRRJBJDNSA-N 0 3 365.478 0.095 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2cn[nH]c2)CC1 ZINC001130301679 1201580585 /nfs/dbraw/zinc/58/05/85/1201580585.db2.gz AAIJVSUPUMWGSC-XLIONFOSSA-N 0 3 371.485 0.841 20 30 FCEDHN C=CCCCCCN1C[C@@H](NC(=O)CN(C)CC(=O)NC(C)C)[C@@H](O)C1 ZINC001219947603 1224695375 /nfs/dbraw/zinc/69/53/75/1224695375.db2.gz NJAMCSDNKKYDRY-SJORKVTESA-N 0 3 368.522 0.351 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)CCCn2ccnc2C)C[C@H]1c1cn(C)cn1 ZINC001130695230 1202757393 /nfs/dbraw/zinc/75/73/93/1202757393.db2.gz IATWCLPMOUGKMZ-FUHWJXTLSA-N 0 3 354.458 0.923 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)OCCC=C)n[n-]2)O1 ZINC001130762207 1202779124 /nfs/dbraw/zinc/77/91/24/1202779124.db2.gz OYUSFVBMRBJJAM-SOUVJXGZSA-N 0 3 361.446 0.845 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@H](C)OCCC=C)n2)O1 ZINC001130762207 1202779129 /nfs/dbraw/zinc/77/91/29/1202779129.db2.gz OYUSFVBMRBJJAM-SOUVJXGZSA-N 0 3 361.446 0.845 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cccc(C)n3)n[n-]2)O1 ZINC001130759683 1202781472 /nfs/dbraw/zinc/78/14/72/1202781472.db2.gz FOVCEVIZCGNUNP-DZGCQCFKSA-N 0 3 354.414 0.881 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cccc(C)n3)n2)O1 ZINC001130759683 1202781476 /nfs/dbraw/zinc/78/14/76/1202781476.db2.gz FOVCEVIZCGNUNP-DZGCQCFKSA-N 0 3 354.414 0.881 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc[nH]c(=O)c3)n[n-]2)O1 ZINC001130775519 1202783602 /nfs/dbraw/zinc/78/36/02/1202783602.db2.gz ZKNQLMNZGLYIOM-QWHCGFSZSA-N 0 3 356.386 0.278 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cc[nH]c(=O)c3)n2)O1 ZINC001130775519 1202783611 /nfs/dbraw/zinc/78/36/11/1202783611.db2.gz ZKNQLMNZGLYIOM-QWHCGFSZSA-N 0 3 356.386 0.278 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H]3CCCO3)n[n-]2)O1 ZINC001130765396 1202784547 /nfs/dbraw/zinc/78/45/47/1202784547.db2.gz QFUBKCCEMSERGH-SOUVJXGZSA-N 0 3 361.446 0.823 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)C[C@@H]3CCCO3)n2)O1 ZINC001130765396 1202784550 /nfs/dbraw/zinc/78/45/50/1202784550.db2.gz QFUBKCCEMSERGH-SOUVJXGZSA-N 0 3 361.446 0.823 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3=COCCC3)n[n-]2)O1 ZINC001130767755 1202786094 /nfs/dbraw/zinc/78/60/94/1202786094.db2.gz QWEQAMWJBLPCNZ-LSDHHAIUSA-N 0 3 359.430 0.948 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)C3=COCCC3)n2)O1 ZINC001130767755 1202786098 /nfs/dbraw/zinc/78/60/98/1202786098.db2.gz QWEQAMWJBLPCNZ-LSDHHAIUSA-N 0 3 359.430 0.948 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cc(C)on3)n[n-]2)O1 ZINC001130772453 1202787612 /nfs/dbraw/zinc/78/76/12/1202787612.db2.gz NMYNWGRKWNNWOP-UONOGXRCSA-N 0 3 358.402 0.403 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)Cc3cc(C)on3)n2)O1 ZINC001130772453 1202787615 /nfs/dbraw/zinc/78/76/15/1202787615.db2.gz NMYNWGRKWNNWOP-UONOGXRCSA-N 0 3 358.402 0.403 20 30 FCEDHN COCC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C#CC3CC3)n[n-]2)O1 ZINC001130785748 1202789766 /nfs/dbraw/zinc/78/97/66/1202789766.db2.gz ZGYBZFIFATYNFP-JKSUJKDBSA-N 0 3 371.441 0.294 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC3CCOCC3)n[n-]2)O1 ZINC001130776831 1202790283 /nfs/dbraw/zinc/79/02/83/1202790283.db2.gz NRMSUABBCCBQCH-LSDHHAIUSA-N 0 3 361.446 0.681 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)CC3CCOCC3)n2)O1 ZINC001130776831 1202790290 /nfs/dbraw/zinc/79/02/90/1202790290.db2.gz NRMSUABBCCBQCH-LSDHHAIUSA-N 0 3 361.446 0.681 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3coc(C)n3)n[n-]2)O1 ZINC001130778257 1202792057 /nfs/dbraw/zinc/79/20/57/1202792057.db2.gz NYYPRNJAOWWVFE-GXTWGEPZSA-N 0 3 358.402 0.864 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3coc(C)n3)n2)O1 ZINC001130778257 1202792061 /nfs/dbraw/zinc/79/20/61/1202792061.db2.gz NYYPRNJAOWWVFE-GXTWGEPZSA-N 0 3 358.402 0.864 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cn4c(n3)CCC4)n[n-]2)O1 ZINC001130783275 1202794512 /nfs/dbraw/zinc/79/45/12/1202794512.db2.gz USYMQKMVBJZRRD-GXTWGEPZSA-N 0 3 369.429 0.320 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cn4c(n3)CCC4)n2)O1 ZINC001130783275 1202794515 /nfs/dbraw/zinc/79/45/15/1202794515.db2.gz USYMQKMVBJZRRD-GXTWGEPZSA-N 0 3 369.429 0.320 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cn[nH]c(=O)c3)n[n-]2)O1 ZINC001130790393 1202799428 /nfs/dbraw/zinc/79/94/28/1202799428.db2.gz XZYIQFDUTZTBRB-QWHCGFSZSA-N 0 3 371.401 0.063 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](CC(C)C)OC)n[n-]2)O1 ZINC001130809398 1202802395 /nfs/dbraw/zinc/80/23/95/1202802395.db2.gz WKWSWCCVSJVJLK-ZNMIVQPWSA-N 0 3 363.462 0.925 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@H](CC(C)C)OC)n2)O1 ZINC001130809398 1202802396 /nfs/dbraw/zinc/80/23/96/1202802396.db2.gz WKWSWCCVSJVJLK-ZNMIVQPWSA-N 0 3 363.462 0.925 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cnoc3)n[n-]2)O1 ZINC001130802510 1202803860 /nfs/dbraw/zinc/80/38/60/1202803860.db2.gz XNMQOMKRIFLTFX-UONOGXRCSA-N 0 3 358.402 0.485 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)Cc3cnoc3)n2)O1 ZINC001130802510 1202803862 /nfs/dbraw/zinc/80/38/62/1202803862.db2.gz XNMQOMKRIFLTFX-UONOGXRCSA-N 0 3 358.402 0.485 20 30 FCEDHN C=CCCOCC(=O)NCc1n[n-]c([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n1 ZINC001130822324 1202804626 /nfs/dbraw/zinc/80/46/26/1202804626.db2.gz HHDANGHOEKBALH-LSDHHAIUSA-N 0 3 361.446 0.847 20 30 FCEDHN C=CCCOCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n[n-]1 ZINC001130822324 1202804628 /nfs/dbraw/zinc/80/46/28/1202804628.db2.gz HHDANGHOEKBALH-LSDHHAIUSA-N 0 3 361.446 0.847 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@]3(C)CCOC3)n[n-]2)O1 ZINC001130813621 1202806076 /nfs/dbraw/zinc/80/60/76/1202806076.db2.gz UPQXYYQKYWFMIW-IYOUNJFTSA-N 0 3 361.446 0.681 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@@]3(C)CCOC3)n2)O1 ZINC001130813621 1202806078 /nfs/dbraw/zinc/80/60/78/1202806078.db2.gz UPQXYYQKYWFMIW-IYOUNJFTSA-N 0 3 361.446 0.681 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)CCOC)n[n-]2)O1 ZINC001130817184 1202807920 /nfs/dbraw/zinc/80/79/20/1202807920.db2.gz DTJSYWDBVXVTJN-QLFBSQMISA-N 0 3 363.462 0.927 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@H](C)CCOC)n2)O1 ZINC001130817184 1202807923 /nfs/dbraw/zinc/80/79/23/1202807923.db2.gz DTJSYWDBVXVTJN-QLFBSQMISA-N 0 3 363.462 0.927 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3[nH]cnc3CC)n[n-]2)O1 ZINC001130817553 1202808582 /nfs/dbraw/zinc/80/85/82/1202808582.db2.gz SBTVXVNBMQJMKU-GXTWGEPZSA-N 0 3 371.445 0.853 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3ccc(C)nc3)n[n-]2)O1 ZINC001130817548 1202808625 /nfs/dbraw/zinc/80/86/25/1202808625.db2.gz RWVZUOLVPGFXLJ-JKSUJKDBSA-N 0 3 368.441 0.810 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3ccc[nH]3)n[n-]2)O1 ZINC001130820102 1202809268 /nfs/dbraw/zinc/80/92/68/1202809268.db2.gz NXWBGTAXWTWOLY-LSDHHAIUSA-N 0 3 356.430 0.825 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)Cc3ccc[nH]3)n2)O1 ZINC001130820102 1202809269 /nfs/dbraw/zinc/80/92/69/1202809269.db2.gz NXWBGTAXWTWOLY-LSDHHAIUSA-N 0 3 356.430 0.825 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)CNC(=O)C2CCCC2)C[C@H]1c1cncn1C ZINC001131001742 1202840445 /nfs/dbraw/zinc/84/04/45/1202840445.db2.gz MADCZOWSTIVDRN-IAGOWNOFSA-N 0 3 371.485 0.634 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)CN(C)C(=O)C(C)C)C[C@H]1c1cncn1C ZINC001131001478 1202840548 /nfs/dbraw/zinc/84/05/48/1202840548.db2.gz BYFSCMPHTOGDQC-HZPDHXFCSA-N 0 3 359.474 0.442 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@H]1c1cncn1C ZINC001131017579 1202843412 /nfs/dbraw/zinc/84/34/12/1202843412.db2.gz BKIVMMHOSMFVBF-ARFHVFGLSA-N 0 3 357.458 0.196 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)CCCCc2c[nH]nn2)C[C@H]1c1cncn1C 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C=C(C)CCN1C[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](n2ccnn2)C1 ZINC001070097534 1219169414 /nfs/dbraw/zinc/16/94/14/1219169414.db2.gz YLERGSBECKKIQT-CABCVRRESA-N 0 3 357.418 0.327 20 30 FCEDHN Cn1nc(C(F)F)cc1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N ZINC001227458884 1225875296 /nfs/dbraw/zinc/87/52/96/1225875296.db2.gz GFFXTZLPFRCUCL-GHMZBOCLSA-N 0 3 368.388 0.628 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(C(F)F)n(C)n1 ZINC001227483804 1225876921 /nfs/dbraw/zinc/87/69/21/1225876921.db2.gz UWZRKMUKMDIXES-VXGBXAGGSA-N 0 3 367.400 0.738 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1ncc2cccnc21 ZINC001227591699 1225879621 /nfs/dbraw/zinc/87/96/21/1225879621.db2.gz KWEXNAHBBRWBCJ-HUUCEWRRSA-N 0 3 369.429 0.088 20 30 FCEDHN C=CC[NH2+][C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@@H]1n1ccnn1 ZINC001070214283 1219297521 /nfs/dbraw/zinc/29/75/21/1219297521.db2.gz OOPFVXRUPBUCTN-KGLIPLIRSA-N 0 3 355.402 0.492 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ncn(-c3ccccc3)n2)C[C@@H]1n1ccnn1 ZINC001070214415 1219297647 /nfs/dbraw/zinc/29/76/47/1219297647.db2.gz QBXFNBKIUPUFCY-CVEARBPZSA-N 0 3 364.413 0.700 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cnn(C)c2C(F)(F)F)C[C@@H]1n1ccnn1 ZINC001070226015 1219306067 /nfs/dbraw/zinc/30/60/67/1219306067.db2.gz JPWYGJXIUAJNCV-NEPJUHHUSA-N 0 3 369.351 0.872 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC)cc2)C[C@@H]1n1ccnn1 ZINC001070227988 1219307459 /nfs/dbraw/zinc/30/74/59/1219307459.db2.gz ARDBZGRZUXCFJW-CVEARBPZSA-N 0 3 370.413 0.453 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2c[nH]nc2[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001070258373 1219327246 /nfs/dbraw/zinc/32/72/46/1219327246.db2.gz RDDYOCSBOMGYIQ-QLFBSQMISA-N 0 3 357.418 0.694 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCn1nc(C)cc1C ZINC001227830323 1225887385 /nfs/dbraw/zinc/88/73/85/1225887385.db2.gz KXXVSMKTYMASGT-IAGOWNOFSA-N 0 3 359.474 0.656 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C2(N3CCOCC3)CCC2)C[C@@H]1n1ccnn1 ZINC001070304109 1219362446 /nfs/dbraw/zinc/36/24/46/1219362446.db2.gz KZHKWPZJUMXMHY-CVEARBPZSA-N 0 3 360.462 0.061 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2c[nH]nc2-c2cnn(C)c2)C[C@@H]1n1ccnn1 ZINC001070311055 1219367961 /nfs/dbraw/zinc/36/79/61/1219367961.db2.gz LSIGIOJKXLLEJT-CABCVRRESA-N 0 3 367.417 0.243 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCCO3)C[C@@H]1n1ccnn1 ZINC001070321997 1219374590 /nfs/dbraw/zinc/37/45/90/1219374590.db2.gz ILYLTPJNBWJSEW-CVEARBPZSA-N 0 3 369.425 0.820 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCNC(=O)C(C)(C)C ZINC001227855275 1225888174 /nfs/dbraw/zinc/88/81/74/1225888174.db2.gz FZUILEZZQJSINF-HUUCEWRRSA-N 0 3 366.506 0.858 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C[C@H]2C(=O)Nc3ccccc32)C[C@@H]1n1ccnn1 ZINC001070337130 1219385065 /nfs/dbraw/zinc/38/50/65/1219385065.db2.gz OCAXRIYPXPJILX-OIISXLGYSA-N 0 3 366.425 0.932 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@]2(C)CCOC2)CC1 ZINC001070380643 1219406694 /nfs/dbraw/zinc/40/66/94/1219406694.db2.gz ROLPSGSOCRMUIT-KPFFTGBYSA-N 0 3 361.486 0.912 20 30 FCEDHN O=C(CN1CCNC(=O)C1)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001227907759 1225890338 /nfs/dbraw/zinc/89/03/38/1225890338.db2.gz OEUSUAZAOGDDCA-RTBURBONSA-N 0 3 368.481 0.487 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2CCc3nccn3C2)C[C@H]1c1cn(C)cn1 ZINC001070506618 1219444076 /nfs/dbraw/zinc/44/40/76/1219444076.db2.gz JPXDYCFNHBMRQC-YQQAZPJKSA-N 0 3 354.458 0.949 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2occc2CN(C)C)C[C@H]1c1cn(C)cn1 ZINC001070526567 1219454374 /nfs/dbraw/zinc/45/43/74/1219454374.db2.gz QQOCNSZMZSAFPQ-DOTOQJQBSA-N 0 3 355.442 0.906 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2CCc3nnnn3CC2)C[C@H]1c1cn(C)cn1 ZINC001070538274 1219458508 /nfs/dbraw/zinc/45/85/08/1219458508.db2.gz MBKZSDMUDGGISP-IJEWVQPXSA-N 0 3 370.461 0.129 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cc(C(F)(F)F)n[nH]2)C[C@H]1c1cn(C)cn1 ZINC001070545295 1219461500 /nfs/dbraw/zinc/46/15/00/1219461500.db2.gz MYVUSOFAEJIFQS-GXFFZTMASA-N 0 3 366.347 0.993 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2CCCCN(C)C2=O)C[C@H]1c1cn(C)cn1 ZINC001070554742 1219467832 /nfs/dbraw/zinc/46/78/32/1219467832.db2.gz XPQFYQJGDBUDDZ-HLLBOEOZSA-N 0 3 359.474 0.749 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cnccc2N(C)C)C[C@H]1c1cn(C)cn1 ZINC001070555843 1219468537 /nfs/dbraw/zinc/46/85/37/1219468537.db2.gz WTASHPODWMRHCW-DOTOQJQBSA-N 0 3 352.442 0.712 20 30 FCEDHN C=CC[NH2+][C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@H]1c1cn(C)cn1 ZINC001070562484 1219470932 /nfs/dbraw/zinc/47/09/32/1219470932.db2.gz UYNGFMQIIUMSND-DOTOQJQBSA-N 0 3 370.457 0.845 20 30 FCEDHN C#CCCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCO[C@H]2C=C)n1 ZINC001070589893 1219479670 /nfs/dbraw/zinc/47/96/70/1219479670.db2.gz ODAWCMVWCWDFDC-KFWWJZLASA-N 0 3 359.430 0.409 20 30 FCEDHN C#CCCN1CCOC[C@@H]1c1nc(CNC(=O)[C@@H]2CCO[C@H]2C=C)n[nH]1 ZINC001070589893 1219479673 /nfs/dbraw/zinc/47/96/73/1219479673.db2.gz ODAWCMVWCWDFDC-KFWWJZLASA-N 0 3 359.430 0.409 20 30 FCEDHN C#CCCN1CCOC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCO[C@H]2C=C)[nH]1 ZINC001070589893 1219479676 /nfs/dbraw/zinc/47/96/76/1219479676.db2.gz 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FFWLHNBTROVLQX-CZUORRHYSA-N 0 3 360.414 0.881 20 30 FCEDHN CN(C)C(=O)Cn1c(=O)ccc2c1CCN(Cc1cc(C#N)n(C)c1)CC2 ZINC001207106940 1223417075 /nfs/dbraw/zinc/41/70/75/1223417075.db2.gz YNMOUNRMKMTTOL-UHFFFAOYSA-N 0 3 367.453 0.747 20 30 FCEDHN CN(C)C(=O)CN1CCO[C@@H]2CN(Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001207105303 1223417672 /nfs/dbraw/zinc/41/76/72/1223417672.db2.gz UCBXFOXHUUDSTG-SJLPKXTDSA-N 0 3 359.474 0.508 20 30 FCEDHN CCN(CCC#N)C(=O)CN1C[C@@H](C)[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001207567963 1223457613 /nfs/dbraw/zinc/45/76/13/1223457613.db2.gz IIKJPABEYKOGJF-NVXWUHKLSA-N 0 3 363.506 0.669 20 30 FCEDHN C#Cc1cncc(C(=O)N[C@@H]2CN(C[C@H](O)COCCOC)C[C@H]2C)c1 ZINC001208549212 1223555181 /nfs/dbraw/zinc/55/51/81/1223555181.db2.gz RTLBKUSYTXKDSC-FHLIZLRMSA-N 0 3 361.442 0.137 20 30 FCEDHN C=CCn1cc(C(=O)N[C@@H]2CN(CCCO[C@H]3CCOC3)C[C@H]2C)nn1 ZINC001209254195 1223605090 /nfs/dbraw/zinc/60/50/90/1223605090.db2.gz LFZYPAKDEOHXDM-OWCLPIDISA-N 0 3 363.462 0.710 20 30 FCEDHN C=CCNC(=O)CN1C[C@@H](C)[C@H](NC(=O)c2[nH]nc3c2C[C@H](C)CC3)C1 ZINC001209912983 1223656711 /nfs/dbraw/zinc/65/67/11/1223656711.db2.gz UHBHYRBDRUXEGQ-XJKCOSOUSA-N 0 3 359.474 0.887 20 30 FCEDHN C#CCNC(=O)CN1C[C@@H](C)[C@H](NC(=O)c2[nH]nc3c2C[C@@H](C)CC3)C1 ZINC001209913420 1223656918 /nfs/dbraw/zinc/65/69/18/1223656918.db2.gz ZUUPQOKONPSUTK-WOSRLPQWSA-N 0 3 357.458 0.334 20 30 FCEDHN C=CCNC(=O)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC001209986634 1223661095 /nfs/dbraw/zinc/66/10/95/1223661095.db2.gz PZDZCTIWVDYGKG-CZUORRHYSA-N 0 3 368.441 0.824 20 30 FCEDHN C#Cc1ccccc1CC(=O)N[C@@H]1CN(CCOCCNC(C)=O)C[C@H]1C ZINC001210597990 1223698187 /nfs/dbraw/zinc/69/81/87/1223698187.db2.gz NHGGLBGFOWOQNI-OXQOHEQNSA-N 0 3 371.481 0.800 20 30 FCEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@H]2CN(C(C)=O)CCO2)[C@H](OC)C1 ZINC001213796503 1223851493 /nfs/dbraw/zinc/85/14/93/1223851493.db2.gz FVVIRZBWYJUIPJ-KZNAEPCWSA-N 0 3 367.490 0.796 20 30 FCEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)[C@H](OC)C1 ZINC001213796502 1223851800 /nfs/dbraw/zinc/85/18/00/1223851800.db2.gz FVVIRZBWYJUIPJ-KURKYZTESA-N 0 3 367.490 0.796 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CCOCC(C)C)C[C@H]1C ZINC001214208325 1223895966 /nfs/dbraw/zinc/89/59/66/1223895966.db2.gz CVFQHMSPUFMCSM-HUUCEWRRSA-N 0 3 368.478 0.497 20 30 FCEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@H]1C ZINC001214241515 1223897826 /nfs/dbraw/zinc/89/78/26/1223897826.db2.gz PYBPWRBNQUZFSJ-IAGOWNOFSA-N 0 3 359.474 0.829 20 30 FCEDHN C=CCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC(C(=O)NC)CC2)C1 ZINC001214308112 1223900546 /nfs/dbraw/zinc/90/05/46/1223900546.db2.gz UDAOAXZDDCJGMT-GDBMZVCRSA-N 0 3 364.490 0.374 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1C ZINC001214375867 1223905523 /nfs/dbraw/zinc/90/55/23/1223905523.db2.gz XVPWQIDOUHSUPS-MBNYWOFBSA-N 0 3 363.418 0.054 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)COCCCC)C[C@H]1C ZINC001214387329 1223906494 /nfs/dbraw/zinc/90/64/94/1223906494.db2.gz 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C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)c2cnn(CC)n2)C[C@H]1C ZINC001214560149 1223922056 /nfs/dbraw/zinc/92/20/56/1223922056.db2.gz SXEOPNJLOJAFSL-GDBMZVCRSA-N 0 3 360.462 0.549 20 30 FCEDHN Cc1cc(N2CC[C@H](N[C@@H]3CN(C(=O)C#CC(C)C)C[C@H]3C)C2=O)n(C)n1 ZINC001214578512 1223923266 /nfs/dbraw/zinc/92/32/66/1223923266.db2.gz QXHIKEQBWRWNLY-HYVNUMGLSA-N 0 3 371.485 0.930 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCc2ccccc2)C1 ZINC001214602370 1223924727 /nfs/dbraw/zinc/92/47/27/1223924727.db2.gz PCYLKSZKICGFOX-SOLBZPMBSA-N 0 3 357.454 0.778 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)Nc2cc(C)nn2C)C1 ZINC001214604642 1223925478 /nfs/dbraw/zinc/92/54/78/1223925478.db2.gz ITHYXKCCDYPWTB-BPLDGKMQSA-N 0 3 361.446 0.142 20 30 FCEDHN COCC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001214771102 1223940648 /nfs/dbraw/zinc/94/06/48/1223940648.db2.gz XXHDVUKNACEJTN-SJLPKXTDSA-N 0 3 357.454 0.579 20 30 FCEDHN CCC(=O)Nc1cccc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)c1 ZINC001214771053 1223940671 /nfs/dbraw/zinc/94/06/71/1223940671.db2.gz VGSBJLQCZFPVHH-CZUORRHYSA-N 0 3 371.441 0.725 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cn(C(C)(C)C)nn2)C[C@H]1C ZINC001214809447 1223944479 /nfs/dbraw/zinc/94/44/79/1223944479.db2.gz GXTJNUPNNLSDCR-HZSPNIEDSA-N 0 3 360.462 0.221 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cnc3[nH]c(C)nc3c2)C[C@H]1C ZINC001214822289 1223945421 /nfs/dbraw/zinc/94/54/21/1223945421.db2.gz YOIONCTVUQTNPF-IAQYHMDHSA-N 0 3 356.430 0.619 20 30 FCEDHN C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(=O)NC)C1 ZINC001214863835 1223949236 /nfs/dbraw/zinc/94/92/36/1223949236.db2.gz YDUJIVRFLWTEFN-MGPQQGTHSA-N 0 3 361.446 0.568 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnc3n[nH]nc3c2)C[C@H]1C ZINC001214869328 1223950337 /nfs/dbraw/zinc/95/03/37/1223950337.db2.gz KXZHYTGSIFCKLZ-UHIISALHSA-N 0 3 357.418 0.094 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ncc(C)cc2OC)C[C@H]1C ZINC001214872688 1223950472 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ZINC001215194344 1223981220 /nfs/dbraw/zinc/98/12/20/1223981220.db2.gz PRHGZRMIWZQDIO-TYNCELHUSA-N 0 3 368.441 0.454 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2occ3c2CCOC3)C[C@H]1C ZINC001215230661 1223984190 /nfs/dbraw/zinc/98/41/90/1223984190.db2.gz QFKJDEOIGCGNBT-DVOMOZLQSA-N 0 3 359.426 0.540 20 30 FCEDHN C[C@@H]1CN(C(=O)[C@H]2CC(=O)Nc3ccccc32)C[C@H]1NCC(=O)NCC#N ZINC001215266792 1223986785 /nfs/dbraw/zinc/98/67/85/1223986785.db2.gz HELQVNFLAWWTGV-IVMMDQJWSA-N 0 3 369.425 0.189 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cnc3c(c2)c(C)nn3C)C[C@H]1C ZINC001215272766 1223987232 /nfs/dbraw/zinc/98/72/32/1223987232.db2.gz JMIYIMFDKSRVNF-MLGOLLRUSA-N 0 3 370.457 0.629 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)CCCNC(=O)C(C)(C)C)C[C@H]1C ZINC001215279336 1223988192 /nfs/dbraw/zinc/98/81/92/1223988192.db2.gz LRVIUIFSMCUSRX-HUUCEWRRSA-N 0 3 364.490 0.115 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cc3ccccc3nn2)C[C@H]1C ZINC001215279328 1223988234 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C=CCNC(=O)CN[C@@H]1CN(C(=O)c2c(CC)ncnc2CC)C[C@H]1C ZINC001215571348 1224007091 /nfs/dbraw/zinc/00/70/91/1224007091.db2.gz LNYQBXVSOJMJOJ-CZUORRHYSA-N 0 3 359.474 0.954 20 30 FCEDHN CC[C@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N(CC)CCC#N)C1 ZINC001215612944 1224009893 /nfs/dbraw/zinc/00/98/93/1224009893.db2.gz JXEGZCFUJYNMGC-VNQPRFMTSA-N 0 3 365.478 0.100 20 30 FCEDHN CC[C@@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N(CC)CCC#N)C1 ZINC001215612943 1224009915 /nfs/dbraw/zinc/00/99/15/1224009915.db2.gz JXEGZCFUJYNMGC-FVQBIDKESA-N 0 3 365.478 0.100 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc3cnccc3n2)C[C@H]1C ZINC001215664688 1224011841 /nfs/dbraw/zinc/01/18/41/1224011841.db2.gz QWEKEDKQQNHLOT-CXAGYDPISA-N 0 3 351.410 0.429 20 30 FCEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)[C@H](C)OCCOC)C[C@H]1C ZINC001215758493 1224015826 /nfs/dbraw/zinc/01/58/26/1224015826.db2.gz BUZCGOPJUHRINA-IXDOHACOSA-N 0 3 369.506 0.899 20 30 FCEDHN C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C2CC2)C1 ZINC001215802776 1224018463 /nfs/dbraw/zinc/01/84/63/1224018463.db2.gz LHZALTPTTJIIRJ-XOKHGSTOSA-N 0 3 364.490 0.515 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCc3cccc(OC)c32)C[C@H]1C ZINC001215825014 1224019684 /nfs/dbraw/zinc/01/96/84/1224019684.db2.gz HZEZDDXNRNYIRX-HYVNUMGLSA-N 0 3 369.465 0.911 20 30 FCEDHN C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N(C)C3CC3)C2)nn1 ZINC001215858115 1224021157 /nfs/dbraw/zinc/02/11/57/1224021157.db2.gz HMBZLBYCLWWEDI-UKRRQHHQSA-N 0 3 360.462 0.525 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cccc(-n3cccn3)c2)C[C@H]1C ZINC001215929317 1224025121 /nfs/dbraw/zinc/02/51/21/1224025121.db2.gz FCPJVWSCPSVTNW-CRAIPNDOSA-N 0 3 365.437 0.672 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)CCCCN2CCOCC2)C[C@H]1C ZINC001215934016 1224025169 /nfs/dbraw/zinc/02/51/69/1224025169.db2.gz BQFIHSFUQCHZMN-IAGOWNOFSA-N 0 3 366.506 0.228 20 30 FCEDHN C[C@@H]1CN(C(=O)c2c[nH]nc2-c2cccnc2)C[C@H]1NCC(=O)NCC#N ZINC001215965042 1224028056 /nfs/dbraw/zinc/02/80/56/1224028056.db2.gz 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C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2cccc(COC)c2)C[C@H]1C ZINC001216356896 1224046101 /nfs/dbraw/zinc/04/61/01/1224046101.db2.gz KJDOEAAXYHVWPT-GPMSIDNRSA-N 0 3 371.481 0.950 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1C ZINC001216383956 1224048239 /nfs/dbraw/zinc/04/82/39/1224048239.db2.gz TWKCAVNWUDWYNJ-GDBMZVCRSA-N 0 3 360.462 0.161 20 30 FCEDHN C[C@@H]1CN(C(=O)C[C@H]2OCCc3ccccc32)C[C@H]1NCC(=O)NCC#N ZINC001216451753 1224052169 /nfs/dbraw/zinc/05/21/69/1224052169.db2.gz FMOHBLYGKAZWOK-ZTFGCOKTSA-N 0 3 370.453 0.767 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)COc2cc(F)ccc2F)C[C@H]1C ZINC001216494791 1224053466 /nfs/dbraw/zinc/05/34/66/1224053466.db2.gz PQDPHLFEEPAQPC-IUODEOHRSA-N 0 3 365.380 0.530 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)CNC(=O)c2ccccc2)C[C@H]1C ZINC001216522958 1224054299 /nfs/dbraw/zinc/05/42/99/1224054299.db2.gz ALAFZXCOSSJJOZ-GDBMZVCRSA-N 0 3 358.442 0.155 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cc3c(cn2)OCCC3)C[C@H]1C ZINC001216592537 1224057334 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C=C[C@@H](O)CN[C@@H](CCC(N)=O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001253608312 1259845137 /nfs/dbraw/zinc/84/51/37/1259845137.db2.gz AGEMMTGNUIRZNG-HIFRSBDPSA-N 0 3 373.409 0.811 20 30 FCEDHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1cccc(OCC#N)c1 ZINC001261380203 1260129475 /nfs/dbraw/zinc/12/94/75/1260129475.db2.gz ZFSZKIMEEPMQHL-SWLSCSKDSA-N 0 3 360.414 0.434 20 30 FCEDHN N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)CCN1C1CC1 ZINC001332036785 1266320378 /nfs/dbraw/zinc/32/03/78/1266320378.db2.gz JGSYRBGXSPYGNC-DLBZAZTESA-N 0 3 359.474 0.272 20 30 FCEDHN C=CCN1C[C@@]2(F)CN(C(=O)CCCN3CCN(C)CC3)C[C@@]2(F)C1=O ZINC001272631968 1260467270 /nfs/dbraw/zinc/46/72/70/1260467270.db2.gz CSOQOZAOGOEDOE-QZTJIDSGSA-N 0 3 370.444 0.301 20 30 FCEDHN C=C(C)CN1C(=O)COCC12CN(C(=O)CCCN1CCN(C)CC1)C2 ZINC001272635969 1260469348 /nfs/dbraw/zinc/46/93/48/1260469348.db2.gz ZJODHNUDWFWIIQ-UHFFFAOYSA-N 0 3 364.490 0.030 20 30 FCEDHN CN(C)CCN1CC2(CN(C(=O)Cc3ccccc3C#N)C2)OCC1=O ZINC001272671938 1260475583 /nfs/dbraw/zinc/47/55/83/1260475583.db2.gz FZBYCSANZRZTOV-UHFFFAOYSA-N 0 3 356.426 0.102 20 30 FCEDHN CN1CCCC[C@H]1C(=O)N1Cc2n[nH]c(C(=O)N3CC(CC#N)C3)c2C1 ZINC001273138884 1260603392 /nfs/dbraw/zinc/60/33/92/1260603392.db2.gz VVSGCYPFTYQPKB-HNNXBMFYSA-N 0 3 356.430 0.722 20 30 FCEDHN C=CCOC[C@H](O)CN1CCOC[C@@]2(CC(=O)N(Cc3cnoc3)C2)C1 ZINC001277778457 1260669199 /nfs/dbraw/zinc/66/91/99/1260669199.db2.gz MTDWHANQXLVMGM-AEFFLSMTSA-N 0 3 365.430 0.289 20 30 FCEDHN C[C@H](CNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)N(C)Cc1ccccc1 ZINC001332214063 1266358620 /nfs/dbraw/zinc/35/86/20/1266358620.db2.gz CSOSFOZJLQVUHQ-BEFAXECRSA-N 0 3 358.442 0.500 20 30 FCEDHN C#CCCCN1C[C@@H]2C(C(=O)NCc3cn4cccnc4n3)=NO[C@@H]2C1 ZINC001279749838 1260927975 /nfs/dbraw/zinc/92/79/75/1260927975.db2.gz KOOPNQUKGZJVAX-LSDHHAIUSA-N 0 3 352.398 0.446 20 30 FCEDHN C=CCn1cc(CN2C[C@H]3C[C@@]3(C(=O)N3CC(N4CC(F)C4)C3)C2)cn1 ZINC001279768173 1260931813 /nfs/dbraw/zinc/93/18/13/1260931813.db2.gz HQNUGJAREQZQAM-DNVCBOLYSA-N 0 3 359.449 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N#CCCC[C@H](N)C(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC001326001785 1265040724 /nfs/dbraw/zinc/04/07/24/1265040724.db2.gz PWZLYHODZXQANN-ZFWWWQNUSA-N 0 3 360.414 0.448 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC(c3nc(C)no3)CC2)CC1 ZINC001326489524 1265121392 /nfs/dbraw/zinc/12/13/92/1265121392.db2.gz BZYQWYZPRCJUDN-UHFFFAOYSA-N 0 3 361.446 0.851 20 30 FCEDHN N#Cc1ncn(CC(=O)NCc2ccccc2CN2CCC(O)CC2)n1 ZINC001333721379 1266690177 /nfs/dbraw/zinc/69/01/77/1266690177.db2.gz IQDYQEGMIRVRNG-UHFFFAOYSA-N 0 3 354.414 0.423 20 30 FCEDHN C=C(C)Cn1c(C2CCN(CCO)CC2)nnc1N1CCS(=O)CC1 ZINC001524216724 1266694251 /nfs/dbraw/zinc/69/42/51/1266694251.db2.gz RMBVODSYZDHWSF-UHFFFAOYSA-N 0 3 367.519 0.595 20 30 FCEDHN C=CCC1(O)CCN(C(=O)C(=O)N(C)CCCN2CCN(C)CC2)CC1 ZINC001335043371 1267297466 /nfs/dbraw/zinc/29/74/66/1267297466.db2.gz FWUAYOXDJJHYOO-UHFFFAOYSA-N 0 3 366.506 0.012 20 30 FCEDHN C=CCn1c(CCCS(N)(=O)=O)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001338853113 1268106830 /nfs/dbraw/zinc/10/68/30/1268106830.db2.gz VNXYVJKXVWBVQM-KGLIPLIRSA-N 0 3 370.523 0.604 20 30 FCEDHN C=CCn1c(C[C@H](C)O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001338952906 1268129324 /nfs/dbraw/zinc/12/93/24/1268129324.db2.gz OYLYXPVNRRPPCP-LSDHHAIUSA-N 0 3 362.478 0.130 20 30 FCEDHN C=CCn1c(-c2cnc[nH]c2=O)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001338963485 1268131372 /nfs/dbraw/zinc/13/13/72/1268131372.db2.gz MZFIJSAXDDBFCN-CQSZACIVSA-N 0 3 371.445 0.785 20 30 FCEDHN C=CCn1c(-c2cc(=O)[nH]c(=O)[nH]2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001338963806 1268131681 /nfs/dbraw/zinc/13/16/81/1268131681.db2.gz QYCVNUWTRSZQRR-NWDGAFQWSA-N 0 3 359.434 0.812 20 30 FCEDHN C=CCn1c(N2CCN(C[C@@H]3CCOC3)CC2)nnc1[C@@](C)(O)COC ZINC001339096990 1268167159 /nfs/dbraw/zinc/16/71/59/1268167159.db2.gz KSNVKBOZCYXGOO-YJBOKZPZSA-N 0 3 365.478 0.477 20 30 FCEDHN CCn1c([C@H]2C[C@@H]2C#N)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001340262222 1268490661 /nfs/dbraw/zinc/49/06/61/1268490661.db2.gz UKWIYWOSWZGTMS-CABCVRRESA-N 0 3 357.462 0.669 20 30 FCEDHN CCn1c([C@H]2C[C@H]2C#N)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001340262223 1268491224 /nfs/dbraw/zinc/49/12/24/1268491224.db2.gz UKWIYWOSWZGTMS-GJZGRUSLSA-N 0 3 357.462 0.669 20 30 FCEDHN Cc1cc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)nn1CCC#N ZINC001341493588 1269032212 /nfs/dbraw/zinc/03/22/12/1269032212.db2.gz DQRZVFSJPZGJKF-ZIAGYGMSSA-N 0 3 360.418 0.023 20 30 FCEDHN N#CCc1ccc(OC[C@@H](O)CN2CC[C@H](CS(N)(=O)=O)C2)cc1 ZINC001560193629 1269195495 /nfs/dbraw/zinc/19/54/95/1269195495.db2.gz HMZFUOKVAPLIOY-GJZGRUSLSA-N 0 3 353.444 0.103 20 30 FCEDHN N#CCc1ccc(OC[C@H](O)CN2CC[C@@H](CS(N)(=O)=O)C2)cc1 ZINC001560193630 1269195633 /nfs/dbraw/zinc/19/56/33/1269195633.db2.gz HMZFUOKVAPLIOY-HUUCEWRRSA-N 0 3 353.444 0.103 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001341900095 1269258742 /nfs/dbraw/zinc/25/87/42/1269258742.db2.gz WFKARWXTGNXMMF-UHFFFAOYSA-N 0 3 370.453 0.582 20 30 FCEDHN C=CCn1c(CCOC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001342073104 1269332224 /nfs/dbraw/zinc/33/22/24/1269332224.db2.gz XQFAUFYJYZHENX-UHFFFAOYSA-N 0 3 362.478 0.397 20 30 FCEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2cn(CC(=O)N(C)C)nn2)cc1 ZINC001342537850 1269505144 /nfs/dbraw/zinc/50/51/44/1269505144.db2.gz JMIAKIUZRBGEHS-CYBMUJFWSA-N 0 3 370.369 0.336 20 30 FCEDHN C=CCN(CCOC)c1nnc([C@@H]2CCCN2)n1CC(=O)NC(C)C ZINC001574929727 1271680683 /nfs/dbraw/zinc/68/06/83/1271680683.db2.gz JRIDCQFCAZMVEL-AWEZNQCLSA-N 0 3 350.467 0.866 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)c1ccc(-c2c[nH]nn2)cc1 ZINC001574986230 1271688707 /nfs/dbraw/zinc/68/87/07/1271688707.db2.gz WQZQBQRNYQVSEB-KBPBESRZSA-N 0 3 368.441 0.660 20 30 FCEDHN C#CCNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)c1ccc(-c2c[nH]nn2)cc1 ZINC001575004212 1271690703 /nfs/dbraw/zinc/69/07/03/1271690703.db2.gz BDPXSNDCZGMLDQ-ZIAGYGMSSA-N 0 3 368.441 0.660 20 30 FCEDHN C=CCCC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1CC(=O)NCc1c[nH]nn1 ZINC001575085518 1271714052 /nfs/dbraw/zinc/71/40/52/1271714052.db2.gz LENRTUSVUVZHSQ-ORQFMDKSSA-N 0 3 372.473 0.556 20 30 FCEDHN C=CCCn1cc(C(=O)N[C@]23CCC[C@H]2CN(CCc2cn[nH]n2)C3)nn1 ZINC001575100632 1271719608 /nfs/dbraw/zinc/71/96/08/1271719608.db2.gz SXNQPTWWEOPMCI-KSSFIOAISA-N 0 3 370.461 0.799 20 30 FCEDHN C=CCNC(=O)CN1CCC[C@@H]([C@H](C)NC(=O)CCCc2cn[nH]n2)C1 ZINC001575104300 1271720982 /nfs/dbraw/zinc/72/09/82/1271720982.db2.gz OYELEZRDZTXOOB-LSDHHAIUSA-N 0 3 362.478 0.646 20 30 FCEDHN C=CCNC(=O)CN1CCC[C@@H]([C@H](C)NC(=O)CCCc2c[nH]nn2)C1 ZINC001575104300 1271720989 /nfs/dbraw/zinc/72/09/89/1271720989.db2.gz OYELEZRDZTXOOB-LSDHHAIUSA-N 0 3 362.478 0.646 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)c1ccc(-c2c[nH]nn2)cn1 ZINC001575104485 1271721363 /nfs/dbraw/zinc/72/13/63/1271721363.db2.gz QXNKLPDMFFQHJZ-STQMWFEESA-N 0 3 371.445 0.608 20 30 FCEDHN CC(C)(C)OC(=O)NC1CCN(CC(=O)N[C@H]2CNC[C@H]2C#N)CC1 ZINC001575215941 1271794522 /nfs/dbraw/zinc/79/45/22/1271794522.db2.gz MRWHVKHNGVNENF-OCCSQVGLSA-N 0 3 351.451 0.203 20 30 FCEDHN C[C@H](OCc1cn[nH]n1)C(=O)N1CC[C@@H](NCC#Cc2ccccc2)C1 ZINC001575740737 1272410107 /nfs/dbraw/zinc/41/01/07/1272410107.db2.gz GASHHAXGPXIKLJ-DOTOQJQBSA-N 0 3 353.426 0.952 20 30 FCEDHN C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH2+]2)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001575922339 1272562589 /nfs/dbraw/zinc/56/25/89/1272562589.db2.gz KHIYFFXUGGTEDM-RFHZTLPTSA-N 0 3 362.455 0.513 20 30 FCEDHN CC[C@H](C(N)=O)N1CCC(N(Cc2c[nH]nn2)C(=O)C#CC(C)C)CC1 ZINC001576184766 1272981765 /nfs/dbraw/zinc/98/17/65/1272981765.db2.gz NQUXZUNVXKMRGT-MRXNPFEDSA-N 0 3 360.462 0.521 20 30 FCEDHN C[C@]1(CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CNCCO1 ZINC001576511651 1273387004 /nfs/dbraw/zinc/38/70/04/1273387004.db2.gz ZBPBAVRTVFXHFJ-IEBWSBKVSA-N 0 3 357.458 0.784 20 30 FCEDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC001576893498 1273890914 /nfs/dbraw/zinc/89/09/14/1273890914.db2.gz LXWRQUKUSMWIRV-QWHCGFSZSA-N 0 3 350.444 0.701 20 30 FCEDHN COCC#CCN1C[C@@H]2[C@@H](CNC(=O)CCCCCc3c[nH]nn3)[C@@H]2C1 ZINC001576953501 1273972742 /nfs/dbraw/zinc/97/27/42/1273972742.db2.gz OOPMPHNGFGUWNY-NNZMDNLPSA-N 0 3 359.474 0.851 20 30 FCEDHN CN(C)S(=O)(=O)C[C@@H](NC(=O)[C@@H](N)CCCCC#N)C(F)(F)F ZINC001578420719 1275789665 /nfs/dbraw/zinc/78/96/65/1275789665.db2.gz UBCFKJCTIIBVAF-VHSXEESVSA-N 0 3 358.386 0.336 20 30 FCEDHN COC[C@]1(C(=O)OC(C)(C)C)CN(C(=O)[C@H](N)CCCC#N)CCO1 ZINC001578979704 1276539146 /nfs/dbraw/zinc/53/91/46/1276539146.db2.gz MPEKNWBIFMIJPR-DYVFJYSZSA-N 0 3 355.435 0.593 20 30 FCEDHN COCC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001579618442 1277665020 /nfs/dbraw/zinc/66/50/20/1277665020.db2.gz KLLMIGYCZCSVHV-GXTWGEPZSA-N 0 3 357.418 0.333 20 30 FCEDHN COCC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579618442 1277665022 /nfs/dbraw/zinc/66/50/22/1277665022.db2.gz KLLMIGYCZCSVHV-GXTWGEPZSA-N 0 3 357.418 0.333 20 30 FCEDHN COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H](C)C#N)C2)cc1-c1nnn[n-]1 ZINC001580019513 1277992345 /nfs/dbraw/zinc/99/23/45/1277992345.db2.gz FPCCEVODNHPWBX-YPMHNXCESA-N 0 3 355.402 0.725 20 30 FCEDHN Cn1cc([C@@H]2C[C@H]2C(=O)NC[C@H](O)CNCc2ccc(F)c(C#N)c2)cn1 ZINC001716103064 1287372298 /nfs/dbraw/zinc/37/22/98/1287372298.db2.gz MJMPHATXBRUMFF-IXDOHACOSA-N 0 3 371.416 0.801 20 30 FCEDHN C#CCC1(O)CC[NH+](C[C@@H](O)COc2ccccc2-c2nnn[n-]2)CC1 ZINC001588335499 1282427508 /nfs/dbraw/zinc/42/75/08/1282427508.db2.gz OUTCFKCXTSTUHV-CQSZACIVSA-N 0 3 357.414 0.457 20 30 FCEDHN C#CCC1(O)CC[NH+](C[C@@H](O)COc2ccccc2-c2nn[n-]n2)CC1 ZINC001588335499 1282427514 /nfs/dbraw/zinc/42/75/14/1282427514.db2.gz OUTCFKCXTSTUHV-CQSZACIVSA-N 0 3 357.414 0.457 20 30 FCEDHN C#CCC1([NH2+]C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC001588335785 1282428599 /nfs/dbraw/zinc/42/85/99/1282428599.db2.gz XTJNIJIFEZXPCY-OAHLLOKOSA-N 0 3 357.414 0.769 20 30 FCEDHN C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001588349735 1282444675 /nfs/dbraw/zinc/44/46/75/1282444675.db2.gz XKLWAWRWIRLGJW-UHFFFAOYSA-N 0 3 357.418 0.630 20 30 FCEDHN C#CC[N@H+](C)CCCNC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001588349735 1282444680 /nfs/dbraw/zinc/44/46/80/1282444680.db2.gz XKLWAWRWIRLGJW-UHFFFAOYSA-N 0 3 357.418 0.630 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588351141 1282447106 /nfs/dbraw/zinc/44/71/06/1282447106.db2.gz GODVCGZKPFCGLK-INIZCTEOSA-N 0 3 371.420 0.309 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588355008 1282451934 /nfs/dbraw/zinc/45/19/34/1282451934.db2.gz CAHZTIADSBICLE-CQSZACIVSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588355008 1282451938 /nfs/dbraw/zinc/45/19/38/1282451938.db2.gz CAHZTIADSBICLE-CQSZACIVSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588355701 1282455071 /nfs/dbraw/zinc/45/50/71/1282455071.db2.gz LKFPYQIXZXFFFZ-CJNGLKHVSA-N 0 3 354.414 0.596 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001588355701 1282455081 /nfs/dbraw/zinc/45/50/81/1282455081.db2.gz LKFPYQIXZXFFFZ-CJNGLKHVSA-N 0 3 354.414 0.596 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588358513 1282470426 /nfs/dbraw/zinc/47/04/26/1282470426.db2.gz YMSYATWIZXWZHU-GJZGRUSLSA-N 0 3 368.441 0.843 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588358513 1282470436 /nfs/dbraw/zinc/47/04/36/1282470436.db2.gz YMSYATWIZXWZHU-GJZGRUSLSA-N 0 3 368.441 0.843 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001588358513 1282470443 /nfs/dbraw/zinc/47/04/43/1282470443.db2.gz YMSYATWIZXWZHU-GJZGRUSLSA-N 0 3 368.441 0.843 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001588358513 1282470450 /nfs/dbraw/zinc/47/04/50/1282470450.db2.gz YMSYATWIZXWZHU-GJZGRUSLSA-N 0 3 368.441 0.843 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588358483 1282470869 /nfs/dbraw/zinc/47/08/69/1282470869.db2.gz XTOCDRQINDXLOP-JLJPHGGASA-N 0 3 368.441 0.889 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588358483 1282470874 /nfs/dbraw/zinc/47/08/74/1282470874.db2.gz XTOCDRQINDXLOP-JLJPHGGASA-N 0 3 368.441 0.889 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588359165 1282472519 /nfs/dbraw/zinc/47/25/19/1282472519.db2.gz YYAMPLWAEAJKAL-GOEBONIOSA-N 0 3 368.441 0.843 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588359165 1282472526 /nfs/dbraw/zinc/47/25/26/1282472526.db2.gz YYAMPLWAEAJKAL-GOEBONIOSA-N 0 3 368.441 0.843 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001588360315 1282478013 /nfs/dbraw/zinc/47/80/13/1282478013.db2.gz NSWXTSCBPWLNHV-KCPJHIHWSA-N 0 3 372.404 0.781 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001588360315 1282478018 /nfs/dbraw/zinc/47/80/18/1282478018.db2.gz NSWXTSCBPWLNHV-KCPJHIHWSA-N 0 3 372.404 0.781 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001588360314 1282478174 /nfs/dbraw/zinc/47/81/74/1282478174.db2.gz NSWXTSCBPWLNHV-CQDKDKBSSA-N 0 3 372.404 0.781 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001588360314 1282478178 /nfs/dbraw/zinc/47/81/78/1282478178.db2.gz NSWXTSCBPWLNHV-CQDKDKBSSA-N 0 3 372.404 0.781 20 30 FCEDHN C#CCOCCC(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001588360662 1282478870 /nfs/dbraw/zinc/47/88/70/1282478870.db2.gz UMTVKOZWHLBMJN-AWEZNQCLSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCOCCC(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001588360662 1282478875 /nfs/dbraw/zinc/47/88/75/1282478875.db2.gz UMTVKOZWHLBMJN-AWEZNQCLSA-N 0 3 356.430 0.843 20 30 FCEDHN C=CCCC[NH+]1CCN(CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001588600423 1282582639 /nfs/dbraw/zinc/58/26/39/1282582639.db2.gz ASBQURPUNBEZKY-UHFFFAOYSA-N 0 3 358.450 0.508 20 30 FCEDHN C=CCOCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC001588680973 1282637985 /nfs/dbraw/zinc/63/79/85/1282637985.db2.gz HNQXKRBBLRDLQU-HDJSIYSDSA-N 0 3 372.429 0.815 20 30 FCEDHN C=CCOCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC001588680973 1282637999 /nfs/dbraw/zinc/63/79/99/1282637999.db2.gz HNQXKRBBLRDLQU-HDJSIYSDSA-N 0 3 372.429 0.815 20 30 FCEDHN C=CCOCC[N@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001588682992 1282644885 /nfs/dbraw/zinc/64/48/85/1282644885.db2.gz MPANJNKVOOUFDV-OLZOCXBDSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001588682992 1282644898 /nfs/dbraw/zinc/64/48/98/1282644898.db2.gz MPANJNKVOOUFDV-OLZOCXBDSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1C ZINC001588683492 1282646330 /nfs/dbraw/zinc/64/63/30/1282646330.db2.gz WBWCHGIZEOAEGX-GXTWGEPZSA-N 0 3 359.434 0.838 20 30 FCEDHN C=CCOCC[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001588683492 1282646340 /nfs/dbraw/zinc/64/63/40/1282646340.db2.gz WBWCHGIZEOAEGX-GXTWGEPZSA-N 0 3 359.434 0.838 20 30 FCEDHN C=CCOCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001588683522 1282648680 /nfs/dbraw/zinc/64/86/80/1282648680.db2.gz WXXVHNPJTGNVHR-OCCSQVGLSA-N 0 3 359.434 0.886 20 30 FCEDHN C=CCOCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001588683522 1282648692 /nfs/dbraw/zinc/64/86/92/1282648692.db2.gz WXXVHNPJTGNVHR-OCCSQVGLSA-N 0 3 359.434 0.886 20 30 FCEDHN CC#CC[NH2+]C1CCN(CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001588753037 1282691035 /nfs/dbraw/zinc/69/10/35/1282691035.db2.gz YHAFSCQGEDPWTC-UHFFFAOYSA-N 0 3 356.434 0.002 20 30 FCEDHN CC(C)C#CC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001589385008 1282861967 /nfs/dbraw/zinc/86/19/67/1282861967.db2.gz UOBOYGRHNHFRIF-QGZVFWFLSA-N 0 3 368.441 0.843 20 30 FCEDHN C[C@@H](CNC(=O)CSCC#N)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589856430 1283091738 /nfs/dbraw/zinc/09/17/38/1283091738.db2.gz NBBLDHANJICAKB-JTQLQIEISA-N 0 3 363.422 0.857 20 30 FCEDHN COCC#CC[NH2+][C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C ZINC001591360148 1284494109 /nfs/dbraw/zinc/49/41/09/1284494109.db2.gz ACQOBLCLRHIOTP-TZMCWYRMSA-N 0 3 357.418 0.285 20 30 FCEDHN COCC#CC[NH2+][C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C ZINC001591360148 1284494111 /nfs/dbraw/zinc/49/41/11/1284494111.db2.gz ACQOBLCLRHIOTP-TZMCWYRMSA-N 0 3 357.418 0.285 20 30 FCEDHN COCC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001591360233 1284496194 /nfs/dbraw/zinc/49/61/94/1284496194.db2.gz AZBDYFUDMKSBQJ-UONOGXRCSA-N 0 3 371.445 0.675 20 30 FCEDHN COCC#CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001591360273 1284496838 /nfs/dbraw/zinc/49/68/38/1284496838.db2.gz BVPPGQQWVDNXAJ-CYBMUJFWSA-N 0 3 359.434 0.723 20 30 FCEDHN COCC#CC[NH2+][C@@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C12CCC2 ZINC001591362786 1284499517 /nfs/dbraw/zinc/49/95/17/1284499517.db2.gz XQYZEYQWZXIIRK-HUUCEWRRSA-N 0 3 369.429 0.475 20 30 FCEDHN COCC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001591362722 1284499577 /nfs/dbraw/zinc/49/95/77/1284499577.db2.gz WRETTXAMFVLUCS-STQMWFEESA-N 0 3 357.418 0.285 20 30 FCEDHN COc1ccc(C[NH2+]CCNC(=O)CSCC#N)cc1-c1nnn[n-]1 ZINC001591599968 1284763179 /nfs/dbraw/zinc/76/31/79/1284763179.db2.gz XIGJFFUNEUZBPX-UHFFFAOYSA-N 0 3 361.431 0.338 20 30 FCEDHN COc1ccc(C[NH2+]CCNC(=O)CSCC#N)cc1-c1nn[n-]n1 ZINC001591599968 1284763187 /nfs/dbraw/zinc/76/31/87/1284763187.db2.gz XIGJFFUNEUZBPX-UHFFFAOYSA-N 0 3 361.431 0.338 20 30 FCEDHN O=C(C#CC1CC1)N(CCO)CC[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001592764823 1285686147 /nfs/dbraw/zinc/68/61/47/1285686147.db2.gz RZSSPEPVOBUHCX-UHFFFAOYSA-N 0 3 372.404 0.330 20 30 FCEDHN O=C(C#CC1CC1)N(CCO)CC[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001592764823 1285686155 /nfs/dbraw/zinc/68/61/55/1285686155.db2.gz RZSSPEPVOBUHCX-UHFFFAOYSA-N 0 3 372.404 0.330 20 30 FCEDHN O=C(C#CC1CC1)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001592766730 1285687753 /nfs/dbraw/zinc/68/77/53/1285687753.db2.gz ROZDWVFRKHFVDY-QGZVFWFLSA-N 0 3 366.425 0.597 20 30 FCEDHN C#CC[NH2+]C1CCC2(CC1)CN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)CCO2 ZINC001602722348 1287078011 /nfs/dbraw/zinc/07/80/11/1287078011.db2.gz NPUZBSSBLXQKII-UHFFFAOYSA-N 0 3 369.429 0.571 20 30 FCEDHN C#CCNC(=O)CC[NH+]1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001602722115 1287079266 /nfs/dbraw/zinc/07/92/66/1287079266.db2.gz AQTWSQCWZBDLEE-UHFFFAOYSA-N 0 3 357.393 0.267 20 30 FCEDHN N#Cc1cccc(-c2nn[n-]n2)c1N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001609499317 1289181931 /nfs/dbraw/zinc/18/19/31/1289181931.db2.gz IPIPDVCRPHZBMR-OAHLLOKOSA-N 0 3 366.429 0.657 20 30 FCEDHN N#Cc1cccc(-c2nn[n-]n2)c1N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001609499317 1289181932 /nfs/dbraw/zinc/18/19/32/1289181932.db2.gz IPIPDVCRPHZBMR-OAHLLOKOSA-N 0 3 366.429 0.657 20 30 FCEDHN C[C@@H]1CCN(C(=O)CC2CCOCC2)[C@H](CNCC(=O)NCC#N)C1 ZINC001692063588 1289381080 /nfs/dbraw/zinc/38/10/80/1289381080.db2.gz GNBFITQHWOJBEI-ZBFHGGJFSA-N 0 3 350.463 0.660 20 30 FCEDHN C=CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC001692089855 1289397091 /nfs/dbraw/zinc/39/70/91/1289397091.db2.gz BYIQBYNSDAIGPA-OCCSQVGLSA-N 0 3 361.446 0.246 20 30 FCEDHN C#CCNC(=O)[C@@H](C)[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cn[n-]n1 ZINC001692114672 1289401536 /nfs/dbraw/zinc/40/15/36/1289401536.db2.gz PZDFKCULWDDJCW-IIAWOOMASA-N 0 3 360.462 0.553 20 30 FCEDHN N#CCNC(=O)CNC[C@@H](NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CCCCC1 ZINC001698881912 1289539194 /nfs/dbraw/zinc/53/91/94/1289539194.db2.gz QADZWEGKSPEEMB-JMVPUORKSA-N 0 3 374.485 0.704 20 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/nfs/dbraw/zinc/13/69/20/492136920.db2.gz PUANQJJJVZNJKR-GFCCVEGCSA-N 0 3 366.834 0.816 20 30 FCEDHN N#Cc1ccc(OC[C@H](O)CN2CCC(n3cc(C(N)=O)nn3)CC2)cc1 ZINC000599576217 492190357 /nfs/dbraw/zinc/19/03/57/492190357.db2.gz LBEHBEBESUNTJL-OAHLLOKOSA-N 0 3 370.413 0.325 20 30 FCEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC[C@H](N3CCNC3=O)C2)cc1 ZINC000609635950 492217042 /nfs/dbraw/zinc/21/70/42/492217042.db2.gz ZSJOEOGPSFQZCN-IRXDYDNUSA-N 0 3 358.442 0.982 20 30 FCEDHN N#Cc1cnn(-c2ccc(C(=O)N3CC[C@@H](N4CC[C@H](O)C4)C3)cc2)c1N ZINC000599938559 492219223 /nfs/dbraw/zinc/21/92/23/492219223.db2.gz PSUNSIVBUVMGAZ-SJORKVTESA-N 0 3 366.425 0.607 20 30 FCEDHN C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)CN2CCC(C)CC2)C1=O ZINC000618990217 492245345 /nfs/dbraw/zinc/24/53/45/492245345.db2.gz GTGQEVQUYBLLGD-ZDUSSCGKSA-N 0 3 350.419 0.200 20 30 FCEDHN C=CCn1cc(C(=O)NCc2ccc(C(=O)NCCN(C)C)cc2)nn1 ZINC000648773580 492454369 /nfs/dbraw/zinc/45/43/69/492454369.db2.gz QPHKPZAZMBCPPB-UHFFFAOYSA-N 0 3 356.430 0.686 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCc2nnn(C(C)(C)C)n2)CC1 ZINC000656311168 492585676 /nfs/dbraw/zinc/58/56/76/492585676.db2.gz KFDZXHHYRSKKFV-UHFFFAOYSA-N 0 3 363.466 0.201 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NCCn2ccc(C(F)(F)F)n2)CC1 ZINC000636676467 492657591 /nfs/dbraw/zinc/65/75/91/492657591.db2.gz IFBFIIFLXVCVDV-UHFFFAOYSA-N 0 3 373.379 0.785 20 30 FCEDHN C=CCN1CC[C@@H](N(C)C(=O)C(=O)N(C)CCN2CCCCC2)C1=O ZINC000652472349 492943903 /nfs/dbraw/zinc/94/39/03/492943903.db2.gz IGQKUYIEYKPZDB-OAHLLOKOSA-N 0 3 350.463 0.176 20 30 FCEDHN C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC000658776035 493050165 /nfs/dbraw/zinc/05/01/65/493050165.db2.gz QGOOZFWOTHZOFS-OAHLLOKOSA-N 0 3 350.463 0.034 20 30 FCEDHN NC(=O)[C@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C(N)=O ZINC000639845955 493054845 /nfs/dbraw/zinc/05/48/45/493054845.db2.gz NWSFOAZFEGFUQM-BETUJISGSA-N 0 3 355.316 0.455 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCC2(OC)CCOCC2)CC1 ZINC000672356368 493758664 /nfs/dbraw/zinc/75/86/64/493758664.db2.gz NTFFGQGKZXDPHO-UHFFFAOYSA-N 0 3 353.463 0.455 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)CC1 ZINC000672356708 493758886 /nfs/dbraw/zinc/75/88/86/493758886.db2.gz MLNXUMCJKLJXBQ-SJORKVTESA-N 0 3 365.474 0.550 20 30 FCEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000173197726 526438237 /nfs/dbraw/zinc/43/82/37/526438237.db2.gz VARNFQKBMJLQFC-OAHLLOKOSA-N 0 3 360.462 0.783 20 30 FCEDHN C=CCNC(=O)c1ccc(NC(=O)C2(S(C)(=O)=O)CCNCC2)cc1 ZINC000262575680 526645599 /nfs/dbraw/zinc/64/55/99/526645599.db2.gz SWROPVMKCMUING-UHFFFAOYSA-N 0 3 365.455 0.708 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCN(c3ccnn3CC)C2=O)CC1 ZINC000189907772 526929666 /nfs/dbraw/zinc/92/96/66/526929666.db2.gz XEJRRPWKDQSWNR-MRXNPFEDSA-N 0 3 357.458 0.860 20 30 FCEDHN C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCCN(C)CCOC ZINC000266561232 527108736 /nfs/dbraw/zinc/10/87/36/527108736.db2.gz NDFHBUKARWXRGR-UHFFFAOYSA-N 0 3 365.405 0.861 20 30 FCEDHN C#CCOc1cccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)c1 ZINC000108605321 527120361 /nfs/dbraw/zinc/12/03/61/527120361.db2.gz IXCAPQQHNNMDGI-UHFFFAOYSA-N 0 3 358.442 0.391 20 30 FCEDHN C=CCCOCCNC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000288589641 527340376 /nfs/dbraw/zinc/34/03/76/527340376.db2.gz PEGKVNABPLDWLT-UHFFFAOYSA-N 0 3 359.470 0.911 20 30 FCEDHN CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)NCC(=O)NCC#N ZINC000413545829 527767345 /nfs/dbraw/zinc/76/73/45/527767345.db2.gz RHQZAIBPKNFAJP-IAGOWNOFSA-N 0 3 373.457 0.462 20 30 FCEDHN CCN(CC)CC(=O)N1CCN(C(=O)CNc2cccc(C#N)c2)CC1 ZINC000158603754 528082930 /nfs/dbraw/zinc/08/29/30/528082930.db2.gz IXZAMPZOKIBCRX-UHFFFAOYSA-N 0 3 357.458 0.983 20 30 FCEDHN Cc1cnn(C[C@@H]2CN(C(=O)NC[C@@H]3CN(C)CCN3C)CCO2)c1 ZINC000329253037 546550937 /nfs/dbraw/zinc/55/09/37/546550937.db2.gz VVHVEKCJFMZJEV-CVEARBPZSA-N 0 3 350.467 0.052 20 30 FCEDHN Cc1cnn(C[C@@H]2CN(C([O-])=[NH+]C[C@@H]3CN(C)CCN3C)CCO2)c1 ZINC000329253037 546550942 /nfs/dbraw/zinc/55/09/42/546550942.db2.gz VVHVEKCJFMZJEV-CVEARBPZSA-N 0 3 350.467 0.052 20 30 FCEDHN CCN1CCCC[C@@H]1CNC(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000330243445 546591380 /nfs/dbraw/zinc/59/13/80/546591380.db2.gz WVGGTZZNUATAAK-GFCCVEGCSA-N 0 3 353.496 1.031 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)N2CCC(NC(=O)COC)CC2)CC1 ZINC000592302118 546627454 /nfs/dbraw/zinc/62/74/54/546627454.db2.gz UKLAIBJMPPIMGV-UHFFFAOYSA-N 0 3 352.479 0.964 20 30 FCEDHN C=CCN1CCC(NC(=O)COc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000592313326 546628623 /nfs/dbraw/zinc/62/86/23/546628623.db2.gz BPQCJQCECWMZEK-UHFFFAOYSA-N 0 3 353.444 0.479 20 30 FCEDHN CN1CC[C@@](O)(CNC(=O)C(=O)Nc2ccccc2SCCC#N)C1 ZINC000546589441 547042188 /nfs/dbraw/zinc/04/21/88/547042188.db2.gz TZGHBSZUIZKBCD-QGZVFWFLSA-N 0 3 362.455 0.814 20 30 FCEDHN C=CCN1CCC(NC(=O)N2CCN(S(=O)(=O)CC)C[C@H]2C)CC1 ZINC000553587214 547291786 /nfs/dbraw/zinc/29/17/86/547291786.db2.gz YUNZQFCSXGIJEB-CQSZACIVSA-N 0 3 358.508 0.702 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N(CC)[C@H](C)CS(=O)(=O)CC)CC1 ZINC000553670635 547299409 /nfs/dbraw/zinc/29/94/09/547299409.db2.gz HYJZBMVFHOYAPP-CQSZACIVSA-N 0 3 373.519 0.425 20 30 FCEDHN C=CCCN1CCOC2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2)C1 ZINC000949470520 674405057 /nfs/dbraw/zinc/40/50/57/674405057.db2.gz CAPLJHFZRAXPOO-LSDHHAIUSA-N 0 3 351.447 0.289 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)CC1 ZINC000890997029 663283359 /nfs/dbraw/zinc/28/33/59/663283359.db2.gz CVAJFHVJHLNCFJ-CYBMUJFWSA-N 0 3 363.849 0.876 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](N(C)CCN2CCNC2=O)C1 ZINC000972523495 663594013 /nfs/dbraw/zinc/59/40/13/663594013.db2.gz VEOSFLKPKFUMPT-JYJNAYRXSA-N 0 3 350.463 0.526 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H](F)C(C)C)C[C@H]2O)CC1 ZINC001024130121 663889523 /nfs/dbraw/zinc/88/95/23/663889523.db2.gz DMGBGHQXPATBMJ-OAGGEKHMSA-N 0 3 353.438 0.014 20 30 FCEDHN C[C@@]1(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CN2CCC1CC2 ZINC000892801617 664145907 /nfs/dbraw/zinc/14/59/07/664145907.db2.gz XJNKJIQTYDGHQQ-QGZVFWFLSA-N 0 3 362.455 0.326 20 30 FCEDHN CCS(=O)(=O)N1CCC[C@@H](C(=O)C(C#N)C(=O)Nc2ccccn2)C1 ZINC000729069660 665230776 /nfs/dbraw/zinc/23/07/76/665230776.db2.gz VDXQAXWNJGKTHL-OLZOCXBDSA-N 0 3 364.427 0.791 20 30 FCEDHN C=CCc1ccc(OC[C@H](O)CN[C@H]2CCS(=O)(=O)C2)c(OC)c1 ZINC000912761353 666475489 /nfs/dbraw/zinc/47/54/89/666475489.db2.gz OHQNLZGHVJMCOB-LSDHHAIUSA-N 0 3 355.456 0.940 20 30 FCEDHN N#CC(C(=O)COc1cccc(Cl)c1)C(=O)N1CCS(=O)(=O)CC1 ZINC000732909873 666911295 /nfs/dbraw/zinc/91/12/95/666911295.db2.gz HMWVXAMKTHREIM-ZDUSSCGKSA-N 0 3 370.814 0.685 20 30 FCEDHN Cc1cccc(O[C@H](C)C(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)c1 ZINC000732911330 666912246 /nfs/dbraw/zinc/91/22/46/666912246.db2.gz ZWWZBFAEGPNFEX-UKRRQHHQSA-N 0 3 364.423 0.728 20 30 FCEDHN COCCNC(=O)C(C#N)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000916892167 667036392 /nfs/dbraw/zinc/03/63/92/667036392.db2.gz INIKPTGRKFHRMK-XWUBHJNHSA-N 0 3 368.459 0.184 20 30 FCEDHN C=CCNC(=O)C(C#N)C(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12 ZINC000916917456 667036958 /nfs/dbraw/zinc/03/69/58/667036958.db2.gz KWBDAJNDAJUXBO-MHDGFBEUSA-N 0 3 350.444 0.723 20 30 FCEDHN CN1CCC(n2c(=O)c(=Cc3cscn3)sc2=C(C#N)C#N)CC1 ZINC000920397535 667239144 /nfs/dbraw/zinc/23/91/44/667239144.db2.gz LXYJDEASGFSXAI-UHFFFAOYSA-N 0 3 357.464 0.660 20 30 FCEDHN C#CCN(C)CCCNC(=O)N1CCCC[C@H]1CCNS(C)(=O)=O ZINC000838624152 667946226 /nfs/dbraw/zinc/94/62/26/667946226.db2.gz JOZSEKVIVKDAIR-HNNXBMFYSA-N 0 3 358.508 0.445 20 30 FCEDHN Cc1nn(C)c(N2CCN(C(=S)NC3CCN(C)CC3)CC2)c1C#N ZINC000788282144 668822284 /nfs/dbraw/zinc/82/22/84/668822284.db2.gz IVNZDVXDYYNNJZ-UHFFFAOYSA-N 0 3 361.519 0.691 20 30 FCEDHN C#CCN(C)CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1 ZINC000818592971 668918117 /nfs/dbraw/zinc/91/81/17/668918117.db2.gz HEBRDOGTPDCFBU-HNNXBMFYSA-N 0 3 351.472 0.733 20 30 FCEDHN C#CCN(C)CCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21 ZINC000818595875 668918564 /nfs/dbraw/zinc/91/85/64/668918564.db2.gz PZFWYHFTTCISRA-IJEWVQPXSA-N 0 3 352.504 0.784 20 30 FCEDHN C#CCN(C)CCCNC(=O)c1nccc2c1cccc2S(N)(=O)=O ZINC000818606161 668920313 /nfs/dbraw/zinc/92/03/13/668920313.db2.gz FQOHCFYRIOMZHV-UHFFFAOYSA-N 0 3 360.439 0.567 20 30 FCEDHN [NH3+]CC[C@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)C(F)(F)F ZINC000818614198 668921914 /nfs/dbraw/zinc/92/19/14/668921914.db2.gz VLHCAEARAABSMQ-JTQLQIEISA-N 0 3 364.349 0.121 20 30 FCEDHN N#Cc1ccc([C@@H](O)CNCCS(=O)(=O)NC[C@@H]2CCCCO2)cc1 ZINC000819052530 668974688 /nfs/dbraw/zinc/97/46/88/668974688.db2.gz FTRIGMXNKQFZNI-IRXDYDNUSA-N 0 3 367.471 0.670 20 30 FCEDHN CCN(CC)S(=O)(=O)c1ccc(N=NC2CCN(CCO)CC2)nc1 ZINC000819805165 669030808 /nfs/dbraw/zinc/03/08/08/669030808.db2.gz PBTMTZVCPQGLLN-UHFFFAOYSA-N 0 3 369.491 0.968 20 30 FCEDHN CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)C(C#N)C(=O)NC1CC1 ZINC000796793686 669126998 /nfs/dbraw/zinc/12/69/98/669126998.db2.gz PZQJMBVEYSEVGN-CHWSQXEVSA-N 0 3 351.403 1.000 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 ZINC000804270089 669372450 /nfs/dbraw/zinc/37/24/50/669372450.db2.gz KBWHBHACIYKAQD-GFCCVEGCSA-N 0 3 369.409 0.270 20 30 FCEDHN C#CC1CCN([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000830333689 669774733 /nfs/dbraw/zinc/77/47/33/669774733.db2.gz FSTXBXQZLQDDOZ-CQSZACIVSA-N 0 3 363.483 0.726 20 30 FCEDHN N#CC(C(=O)Cc1c(F)cccc1F)C(=O)N1CCS(=O)(=O)CC1 ZINC000121393353 669795965 /nfs/dbraw/zinc/79/59/65/669795965.db2.gz AACMTVKORGEARU-LLVKDONJSA-N 0 3 356.350 0.473 20 30 FCEDHN C[C@H](CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000834797538 669975611 /nfs/dbraw/zinc/97/56/11/669975611.db2.gz ZYGQYLFNGXTQHJ-WOPDTQHZSA-N 0 3 368.434 0.320 20 30 FCEDHN C[C@H](CC(=O)N[C@@H]1CC[C@H](C[NH3+])C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000834861807 669980349 /nfs/dbraw/zinc/98/03/49/669980349.db2.gz NBKQXLSIDVJRJV-FRRDWIJNSA-N 0 3 364.471 0.747 20 30 FCEDHN CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N(C)CC[NH3+] ZINC000818010696 670055969 /nfs/dbraw/zinc/05/59/69/670055969.db2.gz SRQGEFKKQDRQHK-ZDUSSCGKSA-N 0 3 352.460 0.557 20 30 FCEDHN CC[C@H]([NH3+])CNC(=O)[C@@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000843483106 670828343 /nfs/dbraw/zinc/82/83/43/670828343.db2.gz DIZIJHQOKAZJEP-GXTWGEPZSA-N 0 3 366.487 0.993 20 30 FCEDHN CCCN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCN(C)C1 ZINC000843987257 670874591 /nfs/dbraw/zinc/87/45/91/670874591.db2.gz CAVGXBQEJRZJTG-CYBMUJFWSA-N 0 3 364.471 0.668 20 30 FCEDHN N#CC(C(=O)CC1(C#N)CCCCC1)C(=O)N1CCS(=O)(=O)CC1 ZINC000850835967 671411693 /nfs/dbraw/zinc/41/16/93/671411693.db2.gz FSPYPKFRCNGVON-ZDUSSCGKSA-N 0 3 351.428 0.816 20 30 FCEDHN C#C[C@@](C)(CC)N[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000852102144 671487521 /nfs/dbraw/zinc/48/75/21/671487521.db2.gz VPLSKBZHXJXZQS-DYVFJYSZSA-N 0 3 351.472 0.773 20 30 FCEDHN C#CCN(C)CCCNC(=O)N1CCC[C@@H](C2N=NC(=S)N2C)C1 ZINC000854094639 671565865 /nfs/dbraw/zinc/56/58/65/671565865.db2.gz YVZTUHPTRBSDOU-CYBMUJFWSA-N 0 3 350.492 0.948 20 30 FCEDHN C#CCN(CC(=O)NCCCN1CCN(C)CC1)C(=O)OC(C)(C)C ZINC000854277686 671571433 /nfs/dbraw/zinc/57/14/33/671571433.db2.gz HIBQTNLHUQOJKG-UHFFFAOYSA-N 0 3 352.479 0.610 20 30 FCEDHN C[C@H](CC(=O)NCC[C@H](C)[NH+](C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000855414863 671641992 /nfs/dbraw/zinc/64/19/92/671641992.db2.gz CQTMFXNOVWWTRZ-OLZOCXBDSA-N 0 3 366.487 0.960 20 30 FCEDHN N#Cc1cc(S(=O)(=O)NC[C@@H]2CNCCO2)ccc1Br ZINC000903504358 675934966 /nfs/dbraw/zinc/93/49/66/675934966.db2.gz SLTVGKFAPACBCN-JTQLQIEISA-N 0 3 360.233 0.587 20 30 FCEDHN C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877286044 673005531 /nfs/dbraw/zinc/00/55/31/673005531.db2.gz BHJQRMPNJRLTIG-FPMFFAJLSA-N 0 3 362.455 0.467 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CCO)CCNC(=O)CN(CC)CC ZINC001057723755 676116471 /nfs/dbraw/zinc/11/64/71/676116471.db2.gz KZAKEQGKXGOIOC-RDJZCZTQSA-N 0 3 355.479 0.247 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)NCC2(S(=O)(=O)N(C)C)CC2)CC1 ZINC000884131362 673429049 /nfs/dbraw/zinc/42/90/49/673429049.db2.gz JONZKVMZIGLMFN-UHFFFAOYSA-N 0 3 358.508 0.750 20 30 FCEDHN CN(C(=O)C1CC2(C1)CNC[C@@H]2C#N)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000884137341 673429800 /nfs/dbraw/zinc/42/98/00/673429800.db2.gz JYXYFQKIYXYMMD-WVIDZAQPSA-N 0 3 358.364 0.747 20 30 FCEDHN C#CCN(C(=O)CNS(=O)(=O)c1cccc(F)c1)C1CCN(C)CC1 ZINC000886587366 673592300 /nfs/dbraw/zinc/59/23/00/673592300.db2.gz UAFKBNNXKWWRRJ-UHFFFAOYSA-N 0 3 367.446 0.660 20 30 FCEDHN C=CCC1(O)CCN(CC(=O)NC[C@@H]2CN(CC(C)C)CCO2)CC1 ZINC000886755566 673597982 /nfs/dbraw/zinc/59/79/82/673597982.db2.gz MOFHSIOEZFANCR-QGZVFWFLSA-N 0 3 353.507 0.862 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)[C@@H]2C)CC1 ZINC000988506016 1192237197 /nfs/dbraw/zinc/23/71/97/1192237197.db2.gz IFDFQDXAGTXDOQ-MWIANEHASA-N 0 3 359.470 0.330 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)c3cnc(C)cn3)[C@@H]2C)CC1 ZINC000988510231 1192241914 /nfs/dbraw/zinc/24/19/14/1192241914.db2.gz VXHSJJCEAZVGBL-WBVHZDCISA-N 0 3 369.469 0.849 20 30 FCEDHN C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1O ZINC000969413094 1167938381 /nfs/dbraw/zinc/93/83/81/1167938381.db2.gz NUNSNNLPHILJRJ-MSOLQXFVSA-N 0 3 369.465 0.383 20 30 FCEDHN N#Cc1ccc(CN[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)cc1F ZINC000969931311 1168212789 /nfs/dbraw/zinc/21/27/89/1168212789.db2.gz RLXRPSWTGAWVIY-VNQPRFMTSA-N 0 3 360.389 0.421 20 30 FCEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](NCC(=O)N2CCOCC2)C1 ZINC000970220777 1168595129 /nfs/dbraw/zinc/59/51/29/1168595129.db2.gz LCLQGCIXZQMSFK-RYRKJORJSA-N 0 3 365.474 0.407 20 30 FCEDHN C[C@@H]1CCN(CC(=O)N2C[C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)C1 ZINC001021429880 1169321435 /nfs/dbraw/zinc/32/14/35/1169321435.db2.gz UNKKNCBSMWPSOA-JKIFEVAISA-N 0 3 355.442 0.901 20 30 FCEDHN C=CCn1cc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H](CC)N(C)C)[C@@H]3C2)nn1 ZINC001022021339 1170400898 /nfs/dbraw/zinc/40/08/98/1170400898.db2.gz BOXGBSFOTSLPAW-NUEKZKHPSA-N 0 3 360.462 0.477 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](N(C)CCN2C(=O)CNC2=O)C1 ZINC000971556269 1170526049 /nfs/dbraw/zinc/52/60/49/1170526049.db2.gz OKYKFHDVUNMGPN-ZNMIVQPWSA-N 0 3 364.446 0.052 20 30 FCEDHN C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1[n-]nnc1C)C2 ZINC001112506263 1170573116 /nfs/dbraw/zinc/57/31/16/1170573116.db2.gz BZAUFBNCSNMLQC-GLJUWKHASA-N 0 3 360.462 0.636 20 30 FCEDHN COCC#CCN[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)C[C@H]1c1ccccc1 ZINC001211524542 1170851619 /nfs/dbraw/zinc/85/16/19/1170851619.db2.gz PHXQVCAUETUAAL-AYOQOUSVSA-N 0 3 357.454 0.745 20 30 FCEDHN N#Cc1ccccc1CN[C@@H]1CC[C@H](CNC(=O)CN2CCNC(=O)C2)C1 ZINC001691243623 1170882675 /nfs/dbraw/zinc/88/26/75/1170882675.db2.gz MIYHVIPQTMWPJF-MAUKXSAKSA-N 0 3 369.469 0.365 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@]2(CC)CCNC2=O)C[C@H]1c1cnn(C)c1 ZINC001691280323 1171027204 /nfs/dbraw/zinc/02/72/04/1171027204.db2.gz VIBIUZSPRQXSKM-FRQCXROJSA-N 0 3 357.458 0.244 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C2CC3(C2)CCOCC3)C[C@H]1C ZINC001691335295 1171135627 /nfs/dbraw/zinc/13/56/27/1171135627.db2.gz YMQLUNXXKWQCIX-BFYDXBDKSA-N 0 3 361.486 0.768 20 30 FCEDHN C[C@@H]1CCN(C(=O)c2cc3cccn3cn2)[C@H](CNCC(=O)NCC#N)C1 ZINC001691360808 1171203305 /nfs/dbraw/zinc/20/33/05/1171203305.db2.gz MQEWKQYVNKVOTB-ZBFHGGJFSA-N 0 3 368.441 0.804 20 30 FCEDHN C[C@@H]1CCN(C(=O)[C@@H]2CCc3cccnc32)[C@H](CNCC(=O)NCC#N)C1 ZINC001691367072 1171210337 /nfs/dbraw/zinc/21/03/37/1171210337.db2.gz DEPVBLFLFXYMHQ-HYVNUMGLSA-N 0 3 369.469 0.968 20 30 FCEDHN C=C(Cl)CNCc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001691419332 1171287820 /nfs/dbraw/zinc/28/78/20/1171287820.db2.gz SVXOMCWTGRFYFW-DGCLKSJQSA-N 0 3 353.854 0.981 20 30 FCEDHN C=C(Cl)CNCc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001691419332 1171287832 /nfs/dbraw/zinc/28/78/32/1171287832.db2.gz SVXOMCWTGRFYFW-DGCLKSJQSA-N 0 3 353.854 0.981 20 30 FCEDHN C#CCOCCNC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000785155942 1172099413 /nfs/dbraw/zinc/09/94/13/1172099413.db2.gz BJXSPWBSCLLCNT-UHFFFAOYSA-N 0 3 372.469 0.841 20 30 FCEDHN Cn1cc(CN2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H](C2)O3)cc1C#N ZINC001272168763 1192685589 /nfs/dbraw/zinc/68/55/89/1192685589.db2.gz ZUEPOWVVCGLGQK-CALCHBBNSA-N 0 3 354.414 0.274 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1C[C@@]2(CN(C(=O)C3CCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105584192 1192833626 /nfs/dbraw/zinc/83/36/26/1192833626.db2.gz FOLAUQGTOONZRO-CIWUYKSXSA-N 0 3 361.486 0.502 20 30 FCEDHN CC(C)[C@@H]1N(C(=O)C2CCC2)C[C@]12C[C@@H](O)[C@H](NCC(=O)NCC#N)C2 ZINC001105585222 1192833758 /nfs/dbraw/zinc/83/37/58/1192833758.db2.gz MQEAOZVDULHAFG-RRIFGTCXSA-N 0 3 362.474 0.392 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1C[C@]2(CN(C(=O)C3CCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105584194 1192833767 /nfs/dbraw/zinc/83/37/67/1192833767.db2.gz FOLAUQGTOONZRO-QQTQMKHKSA-N 0 3 361.486 0.502 20 30 FCEDHN CC(C)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC(=O)NCC#N)C2)[C@H]1C(C)C ZINC001105587531 1192835156 /nfs/dbraw/zinc/83/51/56/1192835156.db2.gz JATAJRJIRAYHCX-OHDICMOHSA-N 0 3 364.490 0.638 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1C[C@@]2(CN(C(=O)C(C)(F)F)[C@@H]2C(C)C)C[C@H]1O ZINC001105585825 1192835825 /nfs/dbraw/zinc/83/58/25/1192835825.db2.gz XETFJYJYUPOOQQ-GGKPKWOWSA-N 0 3 371.428 0.357 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1C[C@@]2(CN(C(=O)C=C(C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105590950 1192838774 /nfs/dbraw/zinc/83/87/74/1192838774.db2.gz NUDDOHSFAZBZKJ-SMOSDQRPSA-N 0 3 361.486 0.668 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1C[C@@]2(CN(C(=O)CCCC)[C@H]2C(C)C)C[C@H]1O ZINC001105597702 1192857385 /nfs/dbraw/zinc/85/73/85/1192857385.db2.gz GNWPQZFGEDZWPW-YKCBXCCJSA-N 0 3 363.502 0.892 20 30 FCEDHN COCC#CCN1CC[C@@H]2CN(C(=O)Cc3ccc(C(N)=O)nc3)C[C@@H]2C1 ZINC001691562371 1192878554 /nfs/dbraw/zinc/87/85/54/1192878554.db2.gz VAYMJAPKWSFEMP-SJORKVTESA-N 0 3 370.453 0.153 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1C[C@]2(CN(C(=O)CCC=C)[C@H]2C(C)C)C[C@H]1O ZINC001105607433 1192890627 /nfs/dbraw/zinc/89/06/27/1192890627.db2.gz RLSMFKCOLLOUEU-YAJHFMINSA-N 0 3 361.486 0.668 20 30 FCEDHN COCC#CCN[C@@H]1CN(C(=O)COCCOC)C[C@H]1c1ccccc1 ZINC001211563286 1178847515 /nfs/dbraw/zinc/84/75/15/1178847515.db2.gz ORAAZKPJHAFGRQ-RBUKOAKNSA-N 0 3 360.454 0.883 20 30 FCEDHN COCC#CCN[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1c1ccccc1 ZINC001211575040 1179010250 /nfs/dbraw/zinc/01/02/50/1179010250.db2.gz USVUTQQIJCGFJK-ZWKOTPCHSA-N 0 3 367.453 0.850 20 30 FCEDHN Cn1ncc2c1ncnc2N1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000329284557 1179217879 /nfs/dbraw/zinc/21/78/79/1179217879.db2.gz GCQVXODGVPLHFH-ZDUSSCGKSA-N 0 3 370.461 0.636 20 30 FCEDHN COCC#CCN[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1c1ccccc1 ZINC001211590902 1179226659 /nfs/dbraw/zinc/22/66/59/1179226659.db2.gz XZTGGSKTGBGBLR-DLBZAZTESA-N 0 3 353.426 0.663 20 30 FCEDHN CC(C)N1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001023334621 1179384143 /nfs/dbraw/zinc/38/41/43/1179384143.db2.gz ULCKGVZAXIZUOR-OWCLPIDISA-N 0 3 359.430 0.061 20 30 FCEDHN C#CCOCCC(=O)N1C[C@@H](c2ccccc2)[C@H](N[C@@H](C)C(=O)NC)C1 ZINC001211598768 1179390347 /nfs/dbraw/zinc/39/03/47/1179390347.db2.gz IJAQOJQUHGNINB-RYQLBKOJSA-N 0 3 357.454 0.745 20 30 FCEDHN CCCN1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001023467306 1179775720 /nfs/dbraw/zinc/77/57/20/1179775720.db2.gz DBWINTGFAGWWDY-OWCLPIDISA-N 0 3 359.430 0.062 20 30 FCEDHN COCC#CCN[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1c1ccccc1 ZINC001211622629 1180187198 /nfs/dbraw/zinc/18/71/98/1180187198.db2.gz UOWYKGHXRBMVNT-IPMKNSEASA-N 0 3 369.465 0.889 20 30 FCEDHN C#Cc1cncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCN3CCC)C2)c1 ZINC001024121961 1180851845 /nfs/dbraw/zinc/85/18/45/1180851845.db2.gz JTFRMDDPHMKXSN-KZNAEPCWSA-N 0 3 370.453 0.239 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@]3(C)C=CCC3)C[C@H]2O)CC1 ZINC001024130023 1180858290 /nfs/dbraw/zinc/85/82/90/1180858290.db2.gz BSAYSUSIJJTWMB-HLIPFELVSA-N 0 3 359.470 0.376 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)C3(C(F)F)CC3)C[C@H]2O)CC1 ZINC001024129982 1180858710 /nfs/dbraw/zinc/85/87/10/1180858710.db2.gz AFEQWAIDYHHAKU-ZIAGYGMSSA-N 0 3 369.412 0.065 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)C3(CC)CCC3)C[C@H]2O)CC1 ZINC001024129972 1180858775 /nfs/dbraw/zinc/85/87/75/1180858775.db2.gz AEAVGVDEZMMSKV-IAGOWNOFSA-N 0 3 361.486 0.600 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)C3CC(C)(C)C3)C[C@H]2O)CC1 ZINC001024132069 1180861066 /nfs/dbraw/zinc/86/10/66/1180861066.db2.gz QACGPAJRQSYCJR-IAGOWNOFSA-N 0 3 361.486 0.456 20 30 FCEDHN N#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H](C3CC3)N3CCCC3)C2)[nH]1 ZINC001024738344 1181544707 /nfs/dbraw/zinc/54/47/07/1181544707.db2.gz JDPPKKOUGGMNHY-BRWVUGGUSA-N 0 3 371.441 0.062 20 30 FCEDHN C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1O ZINC001024956204 1181797952 /nfs/dbraw/zinc/79/79/52/1181797952.db2.gz SBKYZTQRHHUPIR-GGPKGHCWSA-N 0 3 369.465 0.239 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001025002067 1181848116 /nfs/dbraw/zinc/84/81/16/1181848116.db2.gz ZAKYGSAYTGEMFM-FPCVCCKLSA-N 0 3 365.474 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ZINC001025775273 1182831058 /nfs/dbraw/zinc/83/10/58/1182831058.db2.gz JXFBMAQNHVZEBU-GAGVYUBLSA-N 0 3 356.382 0.778 20 30 FCEDHN C=CCC[C@@H](C)NCc1cn(C2CN(C(=O)[C@H]3OCCO[C@H]3C)C2)nn1 ZINC001105262091 1183162859 /nfs/dbraw/zinc/16/28/59/1183162859.db2.gz GFKXMMGHUJINJE-KEYYUXOJSA-N 0 3 363.462 0.910 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)CC3(O)CCC3)C[C@H]2C)CC1 ZINC001026614961 1183166777 /nfs/dbraw/zinc/16/67/77/1183166777.db2.gz PTJXNNDTYYHTHQ-NVXWUHKLSA-N 0 3 361.486 0.600 20 30 FCEDHN C=CCN1CC[C@H](N2C[C@@H]3CCN(C(=O)c4cc(C)n(C)n4)[C@@H]3C2)C1=O ZINC001075593243 1186249765 /nfs/dbraw/zinc/24/97/65/1186249765.db2.gz ZZFVUEAADPXMFB-BHYGNILZSA-N 0 3 357.458 0.662 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3cnn(C)c3)C2)CC1 ZINC000980891669 1186273210 /nfs/dbraw/zinc/27/32/10/1186273210.db2.gz AXKFHGHORBDCRD-MAUKXSAKSA-N 0 3 371.485 0.780 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3ncc[nH]3)C2)CC1 ZINC000981307743 1186387989 /nfs/dbraw/zinc/38/79/89/1186387989.db2.gz UYRZSWRPQKOZSO-GOEBONIOSA-N 0 3 357.458 0.770 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3cccnn3)C2)CC1 ZINC000982009939 1186623930 /nfs/dbraw/zinc/62/39/30/1186623930.db2.gz MLQQKPYCTAXFAL-DOTOQJQBSA-N 0 3 369.469 0.837 20 30 FCEDHN C=CCN1CC[C@@H](N2C[C@@H]3CCN(C(=O)c4cnn(CC)c4)[C@@H]3C2)C1=O ZINC001075626831 1187493864 /nfs/dbraw/zinc/49/38/64/1187493864.db2.gz UCDIPIZWHNGEEB-USXIJHARSA-N 0 3 357.458 0.836 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCCO2)C[C@H]1c1ccccc1 ZINC001211736531 1187537374 /nfs/dbraw/zinc/53/73/74/1187537374.db2.gz WUYHWXQNXHBGKU-OTWHNJEPSA-N 0 3 369.465 0.889 20 30 FCEDHN N#Cc1ccc(CN2CC[C@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)cc1 ZINC001028801809 1187893837 /nfs/dbraw/zinc/89/38/37/1187893837.db2.gz DJPLRZAJDBPDIV-IXDOHACOSA-N 0 3 356.426 0.529 20 30 FCEDHN C=CCN1CC[C@H](N2C[C@@H]3CCN(C(=O)c4ccnn4CC)[C@@H]3C2)C1=O ZINC001075724855 1187989897 /nfs/dbraw/zinc/98/98/97/1187989897.db2.gz FFBHFLZUJDFLFK-YQQAZPJKSA-N 0 3 357.458 0.836 20 30 FCEDHN C=CCN1CC[C@H](N2C[C@@H]3CCN(C(=O)Cc4ccnn4C)[C@@H]3C2)C1=O ZINC001075737635 1188046266 /nfs/dbraw/zinc/04/62/66/1188046266.db2.gz RZURZPOOAVVRAF-BHYGNILZSA-N 0 3 357.458 0.282 20 30 FCEDHN CN(C(=O)c1ccc(NC(=O)C(=O)NCCC#N)cc1)[C@H]1CCCN(C)C1 ZINC000427866044 1188056708 /nfs/dbraw/zinc/05/67/08/1188056708.db2.gz QEINSAQQHRJUDV-INIZCTEOSA-N 0 3 371.441 0.821 20 30 FCEDHN CC#CC(=O)N1CCC2(CCN(CCCN3CCN(C)CC3)C2=O)CC1 ZINC001270398031 1188134984 /nfs/dbraw/zinc/13/49/84/1188134984.db2.gz YEOQAFGGPRRGIB-UHFFFAOYSA-N 0 3 360.502 0.488 20 30 FCEDHN CN(C)CCN1CCC2(CCN(C(=O)C#Cc3ccccn3)CC2)C1=O ZINC001270570155 1188198996 /nfs/dbraw/zinc/19/89/96/1188198996.db2.gz DXOCGBWTTKCBQC-UHFFFAOYSA-N 0 3 354.454 0.836 20 30 FCEDHN C=CCN1CC[C@H](N2C[C@@H]3CCN(C(=O)Cc4nnc(C)o4)[C@@H]3C2)C1=O ZINC001075759659 1188213565 /nfs/dbraw/zinc/21/35/65/1188213565.db2.gz BBDMMSBYUOCCSA-SOUVJXGZSA-N 0 3 359.430 0.240 20 30 FCEDHN N#Cc1ccnc(N2CCN(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2)c1 ZINC000729505551 1188392281 /nfs/dbraw/zinc/39/22/81/1188392281.db2.gz LMPWCAYEHHEBOO-IRXDYDNUSA-N 0 3 370.457 0.648 20 30 FCEDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC2CCOCC2)CC1 ZINC000330121282 1189389564 /nfs/dbraw/zinc/38/95/64/1189389564.db2.gz GUJHQMNDYUJIBK-MRXNPFEDSA-N 0 3 352.479 0.956 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(CC(=O)NC3CC3)[C@@H]2CC)CC1 ZINC001087840317 1189847985 /nfs/dbraw/zinc/84/79/85/1189847985.db2.gz RBVSQQNWSNDBDB-ZWKOTPCHSA-N 0 3 360.502 0.579 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(Cc3nnn(C)n3)[C@@H]2CC)CC1 ZINC001087840142 1189848024 /nfs/dbraw/zinc/84/80/24/1189848024.db2.gz JPQJIZRIBXKUMM-JKSUJKDBSA-N 0 3 359.478 0.024 20 30 FCEDHN C=CCN1CC[C@@H](N2CC[C@@H]3CN(C(=O)c4cc[n+]([O-])cc4)C[C@@H]3C2)C1=O ZINC001087874945 1189869081 /nfs/dbraw/zinc/86/90/81/1189869081.db2.gz WXMKPPYIUAEQKD-FGTMMUONSA-N 0 3 370.453 0.501 20 30 FCEDHN C=CCN1CC[C@H](N2CC[C@@H]3CN(C(=O)CCn4cccn4)C[C@@H]3C2)C1=O ZINC001087888996 1189880587 /nfs/dbraw/zinc/88/05/87/1189880587.db2.gz DYZDAIFFZLFHAA-SQNIBIBYSA-N 0 3 371.485 0.840 20 30 FCEDHN C=CCN1CC[C@@H](N2CC[C@@H]3CN(C(=O)CCc4ncc[nH]4)C[C@@H]3C2)C1=O ZINC001087950270 1189980869 /nfs/dbraw/zinc/98/08/69/1189980869.db2.gz KGJVMOXWNMJCNF-IXDOHACOSA-N 0 3 371.485 0.910 20 30 FCEDHN N#Cc1ccc(CN2CC[C@@H]3CN(C(=O)[C@H]4COC(=O)N4)C[C@@H]3C2)cc1 ZINC001087952558 1189983926 /nfs/dbraw/zinc/98/39/26/1189983926.db2.gz LNHYEPSIQMNSTF-IXDOHACOSA-N 0 3 354.410 0.947 20 30 FCEDHN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)[C@@H]1CN(C)CCN1C ZINC000896583168 1190103839 /nfs/dbraw/zinc/10/38/39/1190103839.db2.gz WQJPYNUAZLROJZ-PBHICJAKSA-N 0 3 359.474 0.959 20 30 FCEDHN C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)[C@@H](CC)N(C)C)[C@@H]2CC)nn1 ZINC000984890572 1190208977 /nfs/dbraw/zinc/20/89/77/1190208977.db2.gz GKVLSOFALRSTJU-NUEKZKHPSA-N 0 3 362.478 0.914 20 30 FCEDHN C=CCN1CC[C@@H](N2CC[C@@H]3CN(C(=O)CCn4ccnc4)C[C@@H]3C2)C1=O ZINC001088059217 1190328619 /nfs/dbraw/zinc/32/86/19/1190328619.db2.gz OFMXGQSHVDYSLW-FGTMMUONSA-N 0 3 371.485 0.840 20 30 FCEDHN CN1C[C@@H](C(=O)N2C[C@H]3CCN(Cc4cccc(C#N)c4)C[C@H]3C2)NC1=O ZINC001088066809 1190349172 /nfs/dbraw/zinc/34/91/72/1190349172.db2.gz ZPIGJECNUAETRO-SQNIBIBYSA-N 0 3 367.453 0.862 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)Cn3cccn3)[C@@H]2CC)CC1 ZINC000984992275 1190406347 /nfs/dbraw/zinc/40/63/47/1190406347.db2.gz LUJQOBNKYZJJBB-ZWKOTPCHSA-N 0 3 371.485 0.724 20 30 FCEDHN C=CCn1cc(C(=O)N2C[C@H]3CCN(CCn4cncn4)C[C@H]3C2)nn1 ZINC001088133407 1190636296 /nfs/dbraw/zinc/63/62/96/1190636296.db2.gz GLKCCBLGTOXMRM-CABCVRRESA-N 0 3 356.434 0.150 20 30 FCEDHN CC#CCN1CC[C@@H]2CN(C(=O)c3cn4nc(C)cc4[nH]c3=O)C[C@@H]2C1 ZINC001088140975 1190662611 /nfs/dbraw/zinc/66/26/11/1190662611.db2.gz OLFPRLRSFQYYDX-CABCVRRESA-N 0 3 353.426 0.748 20 30 FCEDHN C#CCN1CCC(C(=O)N2CC[C@H](NC(=O)Cc3c[nH]cn3)[C@H]2CC)CC1 ZINC000985582670 1190716712 /nfs/dbraw/zinc/71/67/12/1190716712.db2.gz GAVFCEQLQCHKRQ-ZWKOTPCHSA-N 0 3 371.485 0.793 20 30 FCEDHN C#CCOCCC(=O)N1CCO[C@@H]2CN(C[C@@H](O)C3CCCCC3)C[C@@H]21 ZINC001217877392 1224130193 /nfs/dbraw/zinc/13/01/93/1224130193.db2.gz WJUAUHROEGNVAG-IPMKNSEASA-N 0 3 364.486 0.879 20 30 FCEDHN C=CCCCCCN1C[C@H]2OCCN(C(=O)Cn3ncn(C)c3=O)[C@H]2C1 ZINC001218208311 1224147523 /nfs/dbraw/zinc/14/75/23/1224147523.db2.gz WTYJVGZYTXDILV-JKSUJKDBSA-N 0 3 363.462 0.240 20 30 FCEDHN C=CCOCC(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC(=O)NCC)C2)[C@@H]1C(C)C ZINC001105611280 1193787725 /nfs/dbraw/zinc/78/77/25/1193787725.db2.gz PVMXJTNEDKKHRC-LTDCPUDJSA-N 0 3 367.490 0.291 20 30 FCEDHN C#CCCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC(=O)NC)C2)[C@@H]1C(C)C ZINC001105619240 1193840187 /nfs/dbraw/zinc/84/01/87/1193840187.db2.gz IAPCGRPQQUPRHB-YKCBXCCJSA-N 0 3 363.502 0.892 20 30 FCEDHN CC(C)C#CC(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC(=O)N(C)C)C2)[C@H]1C(C)C ZINC001105626789 1193842527 /nfs/dbraw/zinc/84/25/27/1193842527.db2.gz HQAFYPFFWAAMGZ-SMOSDQRPSA-N 0 3 363.502 0.700 20 30 FCEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000552028218 1193892844 /nfs/dbraw/zinc/89/28/44/1193892844.db2.gz PRJBBLUCVLCDKR-IBGZPJMESA-N 0 3 358.442 0.781 20 30 FCEDHN CN1CCN(c2ncc(NC(=O)[C@@H](N)Cc3ccccc3C#N)cn2)CC1 ZINC001218579344 1224176498 /nfs/dbraw/zinc/17/64/98/1224176498.db2.gz CGRRFOTYARLRJL-KRWDZBQOSA-N 0 3 365.441 0.609 20 30 FCEDHN COc1ccc(CNC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)cc1C#N ZINC000842181349 1194082118 /nfs/dbraw/zinc/08/21/18/1194082118.db2.gz WXBDNQHOCTZECI-RISCZKNCSA-N 0 3 360.414 0.412 20 30 FCEDHN N#CCOc1ccc(CN2C[C@@H]3CCN(C(=O)[C@H]4CCNC4=O)[C@@H]3C2)cc1 ZINC001076124589 1194318507 /nfs/dbraw/zinc/31/85/07/1194318507.db2.gz IMTIPIUHSQOFKG-RYQLBKOJSA-N 0 3 368.437 0.758 20 30 FCEDHN C=CCN1CC[C@@H](N2C[C@@H]3CCN(C(=O)c4c[nH]c(=O)n4C)[C@@H]3C2)C1=O ZINC001076133086 1194324631 /nfs/dbraw/zinc/32/46/31/1194324631.db2.gz JRJODZHPGBOPQS-GZBFAFLISA-N 0 3 359.430 0.059 20 30 FCEDHN C=CCN1CC[C@@H](N2C[C@@H]3CCN(C(=O)c4c(C)cnn4C)[C@@H]3C2)C1=O ZINC001076148709 1194330848 /nfs/dbraw/zinc/33/08/48/1194330848.db2.gz KIKKQKPMNCZHLD-ARFHVFGLSA-N 0 3 357.458 0.662 20 30 FCEDHN N#CCOc1ccc(CN2C[C@@H]3CCN(C(=O)[C@@H]4CNC(=O)N4)[C@@H]3C2)cc1 ZINC001076196397 1194350991 /nfs/dbraw/zinc/35/09/91/1194350991.db2.gz DBTIRQAAWGJSPK-BHYGNILZSA-N 0 3 369.425 0.303 20 30 FCEDHN C#Cc1cncc(C(=O)N2CC[C@H]3CN([C@H]4CCN(CC=C)C4=O)C[C@H]32)c1 ZINC001076223045 1194357493 /nfs/dbraw/zinc/35/74/93/1194357493.db2.gz FQCNTKFOBHMPAT-YTQUADARSA-N 0 3 364.449 0.996 20 30 FCEDHN C=CCN1CC[C@@H](N2C[C@@H]3CCN(C(=O)c4[nH]c(C)nc4C)[C@@H]3C2)C1=O ZINC001076257069 1194372433 /nfs/dbraw/zinc/37/24/33/1194372433.db2.gz DHYFVFMMODHVLY-ARFHVFGLSA-N 0 3 357.458 0.960 20 30 FCEDHN C#Cc1ccc(C(=O)N2CC[C@H]3CN([C@@H]4CCC(=O)NC4=O)C[C@H]32)cn1 ZINC001076476978 1194515013 /nfs/dbraw/zinc/51/50/13/1194515013.db2.gz KIVVQPAREWGHGM-NUEKZKHPSA-N 0 3 352.394 0.014 20 30 FCEDHN C#Cc1ccc(C(=O)N2CC[C@H]3CN([C@H]4CCN(CC)C4=O)C[C@H]32)nc1 ZINC001076475829 1194515427 /nfs/dbraw/zinc/51/54/27/1194515427.db2.gz HTUQFVYXEUEZPP-RYQLBKOJSA-N 0 3 352.438 0.830 20 30 FCEDHN C#Cc1ccccc1CC(=O)N1CC[C@H]2CN([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001076501128 1194527377 /nfs/dbraw/zinc/52/73/77/1194527377.db2.gz XNEJAQKFZYSSRP-GBESFXJTSA-N 0 3 351.450 0.974 20 30 FCEDHN C=CCN1CC[C@@H](N2C[C@@H]3CCN(C(=O)CCc4cncn4C)[C@@H]3C2)C1=O ZINC001076515525 1194530621 /nfs/dbraw/zinc/53/06/21/1194530621.db2.gz DHEFRJAVHRXELA-CGTJXYLNSA-N 0 3 371.485 0.672 20 30 FCEDHN C=CCN1CC[C@@H](N2C[C@@H]3CCN(C(=O)Cc4c(C)n[nH]c4C)[C@@H]3C2)C1=O ZINC001076561475 1194567974 /nfs/dbraw/zinc/56/79/74/1194567974.db2.gz DVLKLPNUNLVXEP-CGTJXYLNSA-N 0 3 371.485 0.889 20 30 FCEDHN C=CCOCCN1C[C@H]2OCCN(C(=O)[C@H](C)CN3CCOCC3)[C@H]2C1 ZINC001219033477 1224305519 /nfs/dbraw/zinc/30/55/19/1224305519.db2.gz NTUMGXKPEKZTCM-FGTMMUONSA-N 0 3 367.490 0.069 20 30 FCEDHN CN(C)CC#CCNC(=O)c1[nH]nc2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000913521139 1196450324 /nfs/dbraw/zinc/45/03/24/1196450324.db2.gz MHHQIWRQTOIQKP-UHFFFAOYSA-N 0 3 361.446 0.998 20 30 FCEDHN CN(C)CC#CCNC(=O)C(F)(F)c1ccccc1OCC(=O)N(C)C ZINC000913520811 1196450366 /nfs/dbraw/zinc/45/03/66/1196450366.db2.gz ZDZIPUJANPSLCQ-UHFFFAOYSA-N 0 3 367.396 0.927 20 30 FCEDHN C#Cc1cncc(C(=O)N[C@H]2CCN(C[C@H](O)Cn3cccn3)[C@@H]2C)c1 ZINC001088847076 1196786985 /nfs/dbraw/zinc/78/69/85/1196786985.db2.gz WFCHLJFGMOFHBL-JLSDUUJJSA-N 0 3 353.426 0.513 20 30 FCEDHN C#CCNC(=O)CNCCNC(=O)[C@@H]1C[C@H]1c1cc(OC)ccc1OC ZINC001127190570 1196807265 /nfs/dbraw/zinc/80/72/65/1196807265.db2.gz XOJYOVOOAOZQAN-GOEBONIOSA-N 0 3 359.426 0.263 20 30 FCEDHN C=CCCn1cc(C(=O)N[C@H]2CCN(C[C@H]3CCc4ncnn43)[C@@H]2C)nn1 ZINC001088911441 1196833789 /nfs/dbraw/zinc/83/37/89/1196833789.db2.gz RJEDOHWTONWQSL-KFWWJZLASA-N 0 3 370.461 0.826 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(Cc3cnn(CC)n3)[C@@H]2C)CC1 ZINC001089060026 1196879677 /nfs/dbraw/zinc/87/96/77/1196879677.db2.gz OLCJVFQLSXAUBN-QAPCUYQASA-N 0 3 358.490 0.722 20 30 FCEDHN CCN(CC)CC(=O)N1C[C@@H](Nc2ccc(C#N)nc2)[C@@H](n2ccnn2)C1 ZINC001089089894 1196894732 /nfs/dbraw/zinc/89/47/32/1196894732.db2.gz ZHSTUWGUCKGTEU-SJORKVTESA-N 0 3 368.445 0.751 20 30 FCEDHN CCN(CC)CC(=O)N1C[C@@H](Nc2cnc(C#N)cn2)[C@@H](n2ccnn2)C1 ZINC001089089796 1196894770 /nfs/dbraw/zinc/89/47/70/1196894770.db2.gz VHOSNCXYLGZAQI-CABCVRRESA-N 0 3 369.433 0.146 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1C[C@@H](CNCc2nnc3n2CCCC3)[C@H](C)C1 ZINC001106111404 1197021707 /nfs/dbraw/zinc/02/17/07/1197021707.db2.gz LPSOEZOSJUKARI-OWCLPIDISA-N 0 3 359.474 0.837 20 30 FCEDHN C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccnc3[n-]cnc32)C[C@H]1C ZINC001106190094 1197609458 /nfs/dbraw/zinc/60/94/58/1197609458.db2.gz SMIJEJNLGQZTAX-MGPQQGTHSA-N 0 3 368.441 0.394 20 30 FCEDHN C#Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CN(C(=O)c3cn[n-]n3)C[C@H]2C)c1 ZINC001106364977 1197879077 /nfs/dbraw/zinc/87/90/77/1197879077.db2.gz LZGKPZOTGPKXJS-UKRRQHHQSA-N 0 3 366.425 0.722 20 30 FCEDHN C=CCOCCCC(=O)N[C@@H]1CN(CCCCCn2cncn2)C[C@@H]1O ZINC001219427056 1224463928 /nfs/dbraw/zinc/46/39/28/1224463928.db2.gz WXFWWABMMWNZLA-SJORKVTESA-N 0 3 365.478 0.593 20 30 FCEDHN N#CC(C(=O)Nc1cccc2ccccc21)C(=O)c1cn(CC(N)=O)nn1 ZINC000744029978 1198303653 /nfs/dbraw/zinc/30/36/53/1198303653.db2.gz YAASAZSXNMHNNQ-CYBMUJFWSA-N 0 3 362.349 0.878 20 30 FCEDHN C#CCNC(=O)CC(=O)N[C@@H]1CN(CCc2ccccc2CC)C[C@@H]1O ZINC001219487282 1224484560 /nfs/dbraw/zinc/48/45/60/1224484560.db2.gz JNROUMJMNQPUSH-MSOLQXFVSA-N 0 3 357.454 0.092 20 30 FCEDHN C#CCNC(=O)CC(=O)N[C@@H]1CN(CCCc2cccc(F)c2)C[C@@H]1O ZINC001219487327 1224484227 /nfs/dbraw/zinc/48/42/27/1224484227.db2.gz LTSFSLLOAAZZQT-SJORKVTESA-N 0 3 361.417 0.059 20 30 FCEDHN C#CCNC(=O)CC(=O)N[C@@H]1CN(CCCCc2ccccc2)C[C@@H]1O ZINC001219487399 1224484813 /nfs/dbraw/zinc/48/48/13/1224484813.db2.gz PRJLKZIZDKKGHY-MSOLQXFVSA-N 0 3 357.454 0.310 20 30 FCEDHN C#CCNC(=O)CC(=O)N[C@@H]1CN(CCCc2cccc(C)c2)C[C@@H]1O ZINC001219487114 1224484952 /nfs/dbraw/zinc/48/49/52/1224484952.db2.gz CZTYVSOHSZZGLJ-MSOLQXFVSA-N 0 3 357.454 0.228 20 30 FCEDHN C#CCNC(=O)CC(=O)N[C@@H]1CN([C@@H](C)c2cc(C)ccc2C)C[C@@H]1O ZINC001219492731 1224487212 /nfs/dbraw/zinc/48/72/12/1224487212.db2.gz YAQMCCBWCXVLAS-JQHSSLGASA-N 0 3 357.454 0.665 20 30 FCEDHN CCN(CC)C[C@@H](F)C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O ZINC001219732365 1224582459 /nfs/dbraw/zinc/58/24/59/1224582459.db2.gz SRLXCDJSLDVZAX-KURKYZTESA-N 0 3 362.449 0.899 20 30 FCEDHN COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(C#N)c1)C2 ZINC001109161345 1200075318 /nfs/dbraw/zinc/07/53/18/1200075318.db2.gz UFKVCUOGANGYNE-QZWWFDLISA-N 0 3 362.430 0.245 20 30 FCEDHN C#CCOCCNC(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000770764155 1200481221 /nfs/dbraw/zinc/48/12/21/1200481221.db2.gz IWEPFAFWMMXYSW-UHFFFAOYSA-N 0 3 358.442 0.533 20 30 FCEDHN CN(C)C1(C(=O)N[C@@H]2CN(Cc3ccc(F)c(C#N)c3)C[C@@H]2O)CCC1 ZINC001219800308 1224619850 /nfs/dbraw/zinc/61/98/50/1224619850.db2.gz LEDBJOYSANPKJR-SJORKVTESA-N 0 3 360.433 0.843 20 30 FCEDHN CN(C)C1(C(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3F)C[C@@H]2O)CCC1 ZINC001219802649 1224622942 /nfs/dbraw/zinc/62/29/42/1224622942.db2.gz YOLLOXSCKACWAH-SJORKVTESA-N 0 3 360.433 0.843 20 30 FCEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccn3c(=O)[nH]nc13)C2 ZINC001109971676 1200656066 /nfs/dbraw/zinc/65/60/66/1200656066.db2.gz DUSXSAOUWCDWNB-SNPRPXQTSA-N 0 3 357.414 0.973 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NCc2ccc(-n3ccnc3)nc2)CC1 ZINC000785988963 1200810634 /nfs/dbraw/zinc/81/06/34/1200810634.db2.gz UMNQLYVCFTUDEI-UHFFFAOYSA-N 0 3 368.441 0.650 20 30 FCEDHN C[C@H](NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(C#N)cc1 ZINC000787349896 1200879541 /nfs/dbraw/zinc/87/95/41/1200879541.db2.gz NYDRYUXVCPLKIP-IAOVAPTHSA-N 0 3 356.426 0.715 20 30 FCEDHN N#Cc1cccnc1NCCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000787754844 1200902385 /nfs/dbraw/zinc/90/23/85/1200902385.db2.gz HMXJZBALDORPOB-HNNXBMFYSA-N 0 3 356.430 0.082 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(CCOCCNC(C)=O)C[C@H]21 ZINC001114298588 1201292647 /nfs/dbraw/zinc/29/26/47/1201292647.db2.gz MZUJSMBFHPXMCA-ZBRFXRBCSA-N 0 3 365.474 0.167 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)[C@H]2CCCN2C(C)=O)[C@@H](n2ccnn2)C1 ZINC001129465868 1201320792 /nfs/dbraw/zinc/32/07/92/1201320792.db2.gz RWCHOHGQZKMOQC-ZACQAIPSSA-N 0 3 360.462 0.597 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2ncoc2CC)C[C@@H]1n1ccnn1 ZINC001129699228 1201373023 /nfs/dbraw/zinc/37/30/23/1201373023.db2.gz OPLICBFLUYHZPC-KGLIPLIRSA-N 0 3 360.418 0.686 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2cnccc2C)C[C@@H]1n1ccnn1 ZINC001129712485 1201375295 /nfs/dbraw/zinc/37/52/95/1201375295.db2.gz KGSNJWQRGVYPGL-SJORKVTESA-N 0 3 356.430 0.839 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2cncc(C)c2)C[C@@H]1n1ccnn1 ZINC001129718109 1201377365 /nfs/dbraw/zinc/37/73/65/1201377365.db2.gz XPBLHPUQASCNLF-SJORKVTESA-N 0 3 356.430 0.839 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)C[C@H]2CCCCO2)C[C@@H]1n1ccnn1 ZINC001129732893 1201381178 /nfs/dbraw/zinc/38/11/78/1201381178.db2.gz JPTWBIMRPCOZLB-ZACQAIPSSA-N 0 3 363.462 0.781 20 30 FCEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC001129798634 1201392680 /nfs/dbraw/zinc/39/26/80/1201392680.db2.gz YUSMIMPVYUDHJX-OAGGEKHMSA-N 0 3 362.474 0.011 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2c(C)ccn2C)C[C@@H]1n1ccnn1 ZINC001129783089 1201396564 /nfs/dbraw/zinc/39/65/64/1201396564.db2.gz SYQHWARYWSMNBC-CVEARBPZSA-N 0 3 358.446 0.783 20 30 FCEDHN C#CCCCC(=O)N1C[C@@H](NCCn2nc(C)cc2C)[C@@H](n2ccnn2)C1 ZINC001129834072 1201408975 /nfs/dbraw/zinc/40/89/75/1201408975.db2.gz LLPBKFFUZXMXKV-MSOLQXFVSA-N 0 3 369.473 0.937 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)CCOCC2CC2)C[C@@H]1n1ccnn1 ZINC001129838167 1201410538 /nfs/dbraw/zinc/41/05/38/1201410538.db2.gz SQWIDBIVNNGIMP-SJORKVTESA-N 0 3 363.462 0.639 20 30 FCEDHN C#CCCN[C@@H]1CN(C(=O)C(=O)Nc2ccccc2)C[C@@H]1n1ccnn1 ZINC001129923698 1201443720 /nfs/dbraw/zinc/44/37/20/1201443720.db2.gz RBMVATWTAIKJSV-CVEARBPZSA-N 0 3 352.398 0.282 20 30 FCEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H](NCCOCCOC)[C@@H](n2ccnn2)C1 ZINC001129957001 1201450379 /nfs/dbraw/zinc/45/03/79/1201450379.db2.gz RIJBHDHYCVDRKX-CVEARBPZSA-N 0 3 365.478 0.885 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)CC(C)(C)COC)C[C@@H]1n1ccnn1 ZINC001129948099 1201454645 /nfs/dbraw/zinc/45/46/45/1201454645.db2.gz ZMJNKKLDEFGYJM-CVEARBPZSA-N 0 3 365.478 0.885 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC(C3(C)OCCO3)CC2)CC1 ZINC000804893955 1201468872 /nfs/dbraw/zinc/46/88/72/1201468872.db2.gz PQDMNZJGAIPSCK-UHFFFAOYSA-N 0 3 365.474 0.755 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H](C)OCc2ccncc2)C[C@@H]1n1ccnn1 ZINC001130015285 1201472671 /nfs/dbraw/zinc/47/26/71/1201472671.db2.gz QRWTWBGSEUJMCX-UAGQMJEPSA-N 0 3 356.430 0.806 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](C)OCc2ccncc2)C[C@@H]1n1ccnn1 ZINC001130015284 1201472915 /nfs/dbraw/zinc/47/29/15/1201472915.db2.gz QRWTWBGSEUJMCX-OIISXLGYSA-N 0 3 356.430 0.806 20 30 FCEDHN C=CCC(C)(C)C(=O)N1C[C@@H](NCCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001130023092 1201475189 /nfs/dbraw/zinc/47/51/89/1201475189.db2.gz VVMHLMVNPXQCFP-CABCVRRESA-N 0 3 358.450 0.514 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)CCc2cn[nH]c2)C[C@@H]1n1ccnn1 ZINC001130033059 1201481448 /nfs/dbraw/zinc/48/14/48/1201481448.db2.gz RCZWWNWNQKQZGY-CVEARBPZSA-N 0 3 359.434 0.178 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](C)NC(=O)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130079343 1201495977 /nfs/dbraw/zinc/49/59/77/1201495977.db2.gz FYLAWBOVJBTOKI-KFWWJZLASA-N 0 3 362.478 0.747 20 30 FCEDHN C=CCO[C@H](C)C(=O)N1C[C@@H](NCCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001130150834 1201516382 /nfs/dbraw/zinc/51/63/82/1201516382.db2.gz BPLXCIYIHNLOLQ-OIISXLGYSA-N 0 3 363.462 0.637 20 30 FCEDHN C=CCO[C@@H](C)C(=O)N1C[C@@H](NCCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001130151387 1201517147 /nfs/dbraw/zinc/51/71/47/1201517147.db2.gz OVGGGVSFVDPTCS-UAGQMJEPSA-N 0 3 363.462 0.780 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccccc2F)[n-]1 ZINC001130177492 1201522288 /nfs/dbraw/zinc/52/22/88/1201522288.db2.gz CTHJBQORDFJFRB-ZFWWWQNUSA-N 0 3 357.389 0.969 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnc(C)cn2)[n-]1 ZINC001130181659 1201525099 /nfs/dbraw/zinc/52/50/99/1201525099.db2.gz OLEHYVCKRYSHJU-ZFWWWQNUSA-N 0 3 369.429 0.319 20 30 FCEDHN CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#Cc2ccccc2)[n-]1 ZINC001130172994 1201525735 /nfs/dbraw/zinc/52/57/35/1201525735.db2.gz AGUNBASPQGBTTL-IRXDYDNUSA-N 0 3 353.426 0.955 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ncccc2C)[n-]1 ZINC001130195890 1201533059 /nfs/dbraw/zinc/53/30/59/1201533059.db2.gz HNIAOUKEKPYSCR-GJZGRUSLSA-N 0 3 368.441 0.924 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCC(F)(F)C2)[n-]1 ZINC001130215985 1201547248 /nfs/dbraw/zinc/54/72/48/1201547248.db2.gz LJJJMHWVSVTOJE-AGIUHOORSA-N 0 3 367.400 0.952 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCc2ccon2)[n-]1 ZINC001130223196 1201552541 /nfs/dbraw/zinc/55/25/41/1201552541.db2.gz QHWUURNTOATWQJ-KBPBESRZSA-N 0 3 358.402 0.137 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC[C@@H](C)O2)[n-]1 ZINC001130240336 1201554467 /nfs/dbraw/zinc/55/44/67/1201554467.db2.gz ONFBDZKUZNVKDI-BARDWOONSA-N 0 3 361.446 0.474 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)[n-]1 ZINC001130234864 1201558811 /nfs/dbraw/zinc/55/88/11/1201558811.db2.gz MQJGDOURSQDBDO-OTJKEOIZSA-N 0 3 357.458 0.952 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2[nH]c(C)nc2C)[n-]1 ZINC001130237899 1201560125 /nfs/dbraw/zinc/56/01/25/1201560125.db2.gz IXTMBSQAXUIPOG-KBPBESRZSA-N 0 3 371.445 0.560 20 30 FCEDHN C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2ncc[nH]2)CC1 ZINC001130288259 1201577392 /nfs/dbraw/zinc/57/73/92/1201577392.db2.gz LKAGEWIZJBXUPI-BEFAXECRSA-N 0 3 357.458 0.451 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@H](C)NC(N)=O)CC1 ZINC001130288644 1201577680 /nfs/dbraw/zinc/57/76/80/1201577680.db2.gz UVCNKIURHYLQFJ-QEORTHHSSA-N 0 3 365.478 0.095 20 30 FCEDHN C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCn2ccnc2)CC1 ZINC001130293260 1201579480 /nfs/dbraw/zinc/57/94/80/1201579480.db2.gz POJRWTZISDQAFX-APWZRJJASA-N 0 3 357.458 0.382 20 30 FCEDHN C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@H](C)n2ccnc2)CC1 ZINC001130305270 1201581759 /nfs/dbraw/zinc/58/17/59/1201581759.db2.gz QIIMYXRHEHKBRU-VPWXQRGCSA-N 0 3 371.485 0.943 20 30 FCEDHN C=CC[C@@H](NC(=O)C(=O)N(C)CCCN1CCN(C)CC1)c1ccncc1 ZINC000805808079 1201587890 /nfs/dbraw/zinc/58/78/90/1201587890.db2.gz BUMZCFYYQPYOCG-GOSISDBHSA-N 0 3 373.501 0.911 20 30 FCEDHN C=CCOCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCc2cnn(C)c2)C1 ZINC001130552673 1202713623 /nfs/dbraw/zinc/71/36/23/1202713623.db2.gz FJEHBSPIGIUDKG-DOTOQJQBSA-N 0 3 358.446 0.440 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](NC(N)=O)C(C)(C)C)C[C@H]1c1cn(C)cn1 ZINC001130712823 1202759448 /nfs/dbraw/zinc/75/94/48/1202759448.db2.gz NRXPNBCXZHHFET-NWANDNLSSA-N 0 3 362.478 0.573 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cccn3C)n[n-]2)O1 ZINC001130762188 1202778727 /nfs/dbraw/zinc/77/87/27/1202778727.db2.gz OHZVPPBDACKFSK-DZGCQCFKSA-N 0 3 356.430 0.906 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cccn3C)n2)O1 ZINC001130762188 1202778732 /nfs/dbraw/zinc/77/87/32/1202778732.db2.gz OHZVPPBDACKFSK-DZGCQCFKSA-N 0 3 356.430 0.906 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cccnc3)n[n-]2)O1 ZINC001130775061 1202783010 /nfs/dbraw/zinc/78/30/10/1202783010.db2.gz KGUKKAUHCFCMAB-JKSUJKDBSA-N 0 3 368.441 0.892 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnn(CC)c3)n[n-]2)O1 ZINC001130772490 1202787327 /nfs/dbraw/zinc/78/73/27/1202787327.db2.gz PIPMRVDEDWOVKW-UONOGXRCSA-N 0 3 357.418 0.394 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cnn(CC)c3)n2)O1 ZINC001130772490 1202787332 /nfs/dbraw/zinc/78/73/32/1202787332.db2.gz PIPMRVDEDWOVKW-UONOGXRCSA-N 0 3 357.418 0.394 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@H]3CCCCO3)n[n-]2)O1 ZINC001130776760 1202790105 /nfs/dbraw/zinc/79/01/05/1202790105.db2.gz KNBCYRDSSBFCCO-QLFBSQMISA-N 0 3 361.446 0.823 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)C[C@H]3CCCCO3)n2)O1 ZINC001130776760 1202790107 /nfs/dbraw/zinc/79/01/07/1202790107.db2.gz KNBCYRDSSBFCCO-QLFBSQMISA-N 0 3 361.446 0.823 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cncnc3)n[n-]2)O1 ZINC001130778179 1202791654 /nfs/dbraw/zinc/79/16/54/1202791654.db2.gz KAYOUXYQVGFQKB-UONOGXRCSA-N 0 3 355.402 0.358 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cncnc3)n2)O1 ZINC001130778179 1202791657 /nfs/dbraw/zinc/79/16/57/1202791657.db2.gz KAYOUXYQVGFQKB-UONOGXRCSA-N 0 3 355.402 0.358 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3c(C)ncn3C)n[n-]2)O1 ZINC001130787464 1202797267 /nfs/dbraw/zinc/79/72/67/1202797267.db2.gz SWOBTBQSVXUKBL-QWHCGFSZSA-N 0 3 357.418 0.220 20 30 FCEDHN CC[C@@H](F)C(=O)NCc1n[n-]c([C@H]2CC[C@@H](C[NH2+]CC#CCOC)O2)n1 ZINC001130799280 1202802765 /nfs/dbraw/zinc/80/27/65/1202802765.db2.gz 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/nfs/dbraw/zinc/86/14/02/1225861402.db2.gz QBQNIVFKKVCMLM-HZPDHXFCSA-N 0 3 363.462 0.256 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc2oc(=O)[nH]c2c1 ZINC001226913274 1225857763 /nfs/dbraw/zinc/85/77/63/1225857763.db2.gz UIXROQLTSRSXRN-ZIAGYGMSSA-N 0 3 370.409 0.913 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1CCC(C(N)=O)CC1 ZINC001227216769 1225866385 /nfs/dbraw/zinc/86/63/85/1225866385.db2.gz JJAJGAVNNUCKAU-QDIHITRGSA-N 0 3 362.474 0.045 20 30 FCEDHN CC(C)(C)n1cc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)cn1 ZINC001227240577 1225867884 /nfs/dbraw/zinc/86/78/84/1225867884.db2.gz FFSKNOIBRSFQOI-HUUCEWRRSA-N 0 3 360.462 0.908 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)c2cnccc2N(C)C)[C@@H](n2ccnn2)C1 ZINC001070078128 1219147432 /nfs/dbraw/zinc/14/74/32/1219147432.db2.gz XBFBIHGXRVUDKM-WBVHZDCISA-N 0 3 355.446 0.971 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)Cn2nc(C)ccc2=O)[C@@H](n2ccnn2)C1 ZINC001070079854 1219149076 /nfs/dbraw/zinc/14/90/76/1219149076.db2.gz WZHZJHXCUIPQJY-CVEARBPZSA-N 0 3 371.445 0.151 20 30 FCEDHN Cc1cnc(COCC(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)o1 ZINC001227419317 1225873830 /nfs/dbraw/zinc/87/38/30/1225873830.db2.gz PWOMZECNAUTCLG-ZIAGYGMSSA-N 0 3 363.418 0.156 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)c(OC)c[nH]1 ZINC001227483276 1225876637 /nfs/dbraw/zinc/87/66/37/1225876637.db2.gz KFJZXQGIGNPSKX-CHWSQXEVSA-N 0 3 362.430 0.316 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1cc(CC)nn1C ZINC001227636801 1225880672 /nfs/dbraw/zinc/88/06/72/1225880672.db2.gz JKQQGLXIVUUKJU-IAGOWNOFSA-N 0 3 361.490 0.844 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cnc3nccnc3c2)C[C@@H]1n1ccnn1 ZINC001070210573 1219295460 /nfs/dbraw/zinc/29/54/60/1219295460.db2.gz PGDZDPMRMQDSEI-CABCVRRESA-N 0 3 350.386 0.458 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccnn2CC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001070213180 1219296452 /nfs/dbraw/zinc/29/64/52/1219296452.db2.gz HMHJMRSFMZDWOE-YPMHNXCESA-N 0 3 369.351 0.878 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)c1cnn(C)c1 ZINC001227681222 1225881827 /nfs/dbraw/zinc/88/18/27/1225881827.db2.gz RPQQFQGBXKEWGW-USXIJHARSA-N 0 3 359.474 0.680 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc3c(cc[nH]c3=O)n2)C[C@@H]1n1ccnn1 ZINC001070221122 1219303208 /nfs/dbraw/zinc/30/32/08/1219303208.db2.gz XIQQFIKKUMSHFD-CVEARBPZSA-N 0 3 365.397 0.768 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2CCc3nncn3CC2)C[C@@H]1n1ccnn1 ZINC001070237919 1219312344 /nfs/dbraw/zinc/31/23/44/1219312344.db2.gz TWQYMQGHAMWNHY-ZNMIVQPWSA-N 0 3 356.434 0.050 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc(-n3cccn3)nc2)C[C@@H]1n1ccnn1 ZINC001070247281 1219317403 /nfs/dbraw/zinc/31/74/03/1219317403.db2.gz MMGWFBIGWYDWQQ-CVEARBPZSA-N 0 3 364.413 0.700 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cnc3c(c2)c(C)nn3C)C[C@@H]1n1ccnn1 ZINC001070247471 1219317856 /nfs/dbraw/zinc/31/78/56/1219317856.db2.gz XMOGAZPMJNQQMY-CVEARBPZSA-N 0 3 366.429 0.710 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cc2c[nH]c3cnccc23)C[C@@H]1n1ccnn1 ZINC001070260457 1219330295 /nfs/dbraw/zinc/33/02/95/1219330295.db2.gz KKYGJKUDEQCCQT-SJORKVTESA-N 0 3 351.414 0.925 20 30 FCEDHN C=C1CCC(C(=O)N2C[C@@H](NCCn3cncn3)[C@@H](n3ccnn3)C2)CC1 ZINC001070267399 1219335281 /nfs/dbraw/zinc/33/52/81/1219335281.db2.gz BCWOMHCMGVLQTB-SJORKVTESA-N 0 3 370.461 0.658 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2nc3ccccn3c2F)C[C@@H]1n1ccnn1 ZINC001070306942 1219364482 /nfs/dbraw/zinc/36/44/82/1219364482.db2.gz HSMWJCZVISDFGI-OLZOCXBDSA-N 0 3 355.377 0.906 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CCc2nc3cc[nH]cc-3n2)C[C@@H]1n1ccnn1 ZINC001070308553 1219366016 /nfs/dbraw/zinc/36/60/16/1219366016.db2.gz YUESZUJKMFSQOP-CVEARBPZSA-N 0 3 366.429 0.710 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccccc2C(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001070313398 1219370070 /nfs/dbraw/zinc/37/00/70/1219370070.db2.gz LTAIWZOWKZRDGL-SJORKVTESA-N 0 3 368.441 0.821 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cnn3c2C[C@@H](C)CC3)C[C@@H]1n1ccnn1 ZINC001070319992 1219373478 /nfs/dbraw/zinc/37/34/78/1219373478.db2.gz SAXLNIMRGXRXHX-LXZKKBNFSA-N 0 3 355.446 0.898 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc3c(c2)nc[nH]c3=O)C[C@@H]1n1ccnn1 ZINC001070327051 1219377192 /nfs/dbraw/zinc/37/71/92/1219377192.db2.gz PPHJFNRNOHMAOY-CVEARBPZSA-N 0 3 365.397 0.768 20 30 FCEDHN CN(C)Cc1ccccc1C(=O)N1C[C@@H](NCC#N)[C@@H](n2ccnn2)C1 ZINC001070332598 1219382638 /nfs/dbraw/zinc/38/26/38/1219382638.db2.gz MKCDFLLBWXBPET-SJORKVTESA-N 0 3 353.430 0.519 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H](C(C)C)N2CCCC2=O)C[C@@H]1n1ccnn1 ZINC001070336951 1219385276 /nfs/dbraw/zinc/38/52/76/1219385276.db2.gz CVUZDKLKTRADBL-VYDXJSESSA-N 0 3 360.462 0.453 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cccc(-n3ccnn3)c2)C[C@@H]1n1ccnn1 ZINC001070337128 1219385285 /nfs/dbraw/zinc/38/52/85/1219385285.db2.gz OAKFOWNQAZEPBU-SJORKVTESA-N 0 3 364.413 0.700 20 30 FCEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N[C@H](C)C(=O)N(C)C ZINC001227967816 1225892398 /nfs/dbraw/zinc/89/23/98/1225892398.db2.gz VEVGQGUDOQKWEE-RBSFLKMASA-N 0 3 366.506 0.809 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cc[nH]c(=O)c2)CC1 ZINC001070368649 1219400107 /nfs/dbraw/zinc/40/01/07/1219400107.db2.gz NUAKAXJXWUVGAX-APWZRJJASA-N 0 3 370.453 0.900 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)n2cncn2)CC1 ZINC001070369802 1219400540 /nfs/dbraw/zinc/40/05/40/1219400540.db2.gz QMQFSFDTKLLSTB-LXZKKBNFSA-N 0 3 360.462 0.501 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cc2cc(C)[nH]n2)CC1 ZINC001070369882 1219400580 /nfs/dbraw/zinc/40/05/80/1219400580.db2.gz VSFJZPFLRVDTCD-XLIONFOSSA-N 0 3 371.485 0.759 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cc2cc(C)n[nH]2)CC1 ZINC001070369882 1219400581 /nfs/dbraw/zinc/40/05/81/1219400581.db2.gz VSFJZPFLRVDTCD-XLIONFOSSA-N 0 3 371.485 0.759 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cnnn2CC)CC1 ZINC001070370612 1219401093 /nfs/dbraw/zinc/40/10/93/1219401093.db2.gz CEJBBLWXBITIOH-PBHICJAKSA-N 0 3 360.462 0.573 20 30 FCEDHN C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CCCCN2C)CC1 ZINC001070372700 1219402473 /nfs/dbraw/zinc/40/24/73/1219402473.db2.gz BWHWCSWGSCYUHK-AOIWGVFYSA-N 0 3 360.502 0.579 20 30 FCEDHN C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cnc[n-]c2=O)CC1 ZINC001070372991 1219402491 /nfs/dbraw/zinc/40/24/91/1219402491.db2.gz TUEJXDRXFKDKPS-ZBFHGGJFSA-N 0 3 359.430 0.457 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C)n1ccc(C)n1 ZINC001227908102 1225890293 /nfs/dbraw/zinc/89/02/93/1225890293.db2.gz QMXOKJJMSMZMHL-BRWVUGGUSA-N 0 3 359.474 0.909 20 30 FCEDHN Cc1ccn([C@H](C)CC(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)n1 ZINC001227925908 1225890574 /nfs/dbraw/zinc/89/05/74/1225890574.db2.gz ULOAOQIMLZNBKI-BZUAXINKSA-N 0 3 360.462 0.799 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)Cc2cnccc2OC)C[C@H]1c1cn(C)cn1 ZINC001070505737 1219443668 /nfs/dbraw/zinc/44/36/68/1219443668.db2.gz GKORNJLCIPQUAR-DOTOQJQBSA-N 0 3 353.426 0.584 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@H]2CCc3cnc(C)n3C2)C[C@H]1c1cn(C)cn1 ZINC001070525926 1219453508 /nfs/dbraw/zinc/45/35/08/1219453508.db2.gz HNFMZWRKMJOKTC-VDZJLULYSA-N 0 3 366.469 0.705 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070543066 1219461085 /nfs/dbraw/zinc/46/10/85/1219461085.db2.gz JKVOHVSTDXDLRA-YQQAZPJKSA-N 0 3 359.474 0.749 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cn([C@H]3CCOC3)nn2)C[C@H]1c1cn(C)cn1 ZINC001070551837 1219465754 /nfs/dbraw/zinc/46/57/54/1219465754.db2.gz NTUGJCHJNQGWPW-OFQRWUPVSA-N 0 3 371.445 0.357 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cccc(C(=O)NC)n2)C[C@H]1c1cn(C)cn1 ZINC001070558843 1219468971 /nfs/dbraw/zinc/46/89/71/1219468971.db2.gz UQZSOVMIQKKYHC-SUMWQHHRSA-N 0 3 368.441 0.559 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](CC)N2CCCC2=O)C[C@H]1c1cn(C)cn1 ZINC001070565526 1219472203 /nfs/dbraw/zinc/47/22/03/1219472203.db2.gz ZCSIAODYWPGUOR-USXIJHARSA-N 0 3 359.474 0.891 20 30 FCEDHN CC#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)n1 ZINC001070586486 1219478603 /nfs/dbraw/zinc/47/86/03/1219478603.db2.gz JKIFFELQQSPDCH-NFAWXSAZSA-N 0 3 369.429 0.344 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1nc([C@@H]2COCCN2CC#N)n[nH]1 ZINC001070589775 1219479590 /nfs/dbraw/zinc/47/95/90/1219479590.db2.gz LPOBGXBJDOBHSL-YDHLFZDLSA-N 0 3 360.418 0.299 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1n[nH]c([C@@H]2COCCN2CC#N)n1 ZINC001070589775 1219479592 /nfs/dbraw/zinc/47/95/92/1219479592.db2.gz LPOBGXBJDOBHSL-YDHLFZDLSA-N 0 3 360.418 0.299 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1nnc([C@@H]2COCCN2CC#N)[nH]1 ZINC001070589775 1219479594 /nfs/dbraw/zinc/47/95/94/1219479594.db2.gz LPOBGXBJDOBHSL-YDHLFZDLSA-N 0 3 360.418 0.299 20 30 FCEDHN CC(C)c1nc(CN[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2cncn2C)n[nH]1 ZINC001070630237 1219495473 /nfs/dbraw/zinc/49/54/73/1219495473.db2.gz ICRSCKUXDHOIPY-BFHYXJOUSA-N 0 3 370.461 0.905 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2nn3c(c2C)OCCC3)C[C@H]1c1cncn1C ZINC001070654331 1219509676 /nfs/dbraw/zinc/50/96/76/1219509676.db2.gz JJEHHXRFBHUXTE-HUUCEWRRSA-N 0 3 368.441 0.539 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)Cc2cnccc2OC)C[C@H]1c1cncn1C ZINC001070659416 1219512061 /nfs/dbraw/zinc/51/20/61/1219512061.db2.gz LOYFWEQUYUYUOG-HZPDHXFCSA-N 0 3 353.426 0.584 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCn3cncc3C2)C[C@H]1c1cncn1C ZINC001070661873 1219512968 /nfs/dbraw/zinc/51/29/68/1219512968.db2.gz GFQASBNQRXJBGX-DJIMGWMZSA-N 0 3 352.442 0.396 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cn(C)nc2COC)C[C@H]1c1cncn1C ZINC001070662295 1219513424 /nfs/dbraw/zinc/51/34/24/1219513424.db2.gz PQCMIYTXZQNGCW-UKRRQHHQSA-N 0 3 356.430 0.131 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cc(=O)c(OC)co2)C[C@H]1c1cncn1C ZINC001070668476 1219516894 /nfs/dbraw/zinc/51/68/94/1219516894.db2.gz WNBCGUCWHFZLAH-CHWSQXEVSA-N 0 3 358.398 0.766 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)C[C@H](C)c2cnn(C)c2)C[C@H]1c1cncn1C ZINC001070670518 1219517560 /nfs/dbraw/zinc/51/75/60/1219517560.db2.gz VZLDLEABIZIOEO-USXIJHARSA-N 0 3 354.458 0.865 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCc3nc(C)nn3C2)C[C@H]1c1cncn1C ZINC001070673547 1219518598 /nfs/dbraw/zinc/51/85/98/1219518598.db2.gz 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DYTTWMNONHULEQ-GDBMZVCRSA-N 0 3 356.430 0.915 20 30 FCEDHN C#Cc1ccc(CN2CC[C@@]3(C2)CN(CC(=O)NCC)C(=O)CO3)cc1 ZINC001276558983 1223518852 /nfs/dbraw/zinc/51/88/52/1223518852.db2.gz ZETSDANUYRYHRQ-HXUWFJFHSA-N 0 3 355.438 0.607 20 30 FCEDHN C#Cc1ccc(CN2CC[C@]3(C2)CN([C@H](CC)C(N)=O)C(=O)CO3)cc1 ZINC001276558580 1223519189 /nfs/dbraw/zinc/51/91/89/1223519189.db2.gz RPLXSFUSBGVEGD-XLIONFOSSA-N 0 3 355.438 0.735 20 30 FCEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC001208260571 1223526851 /nfs/dbraw/zinc/52/68/51/1223526851.db2.gz WYSQJQAPCYNRFV-HUUCEWRRSA-N 0 3 359.430 0.135 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC001208361481 1223535139 /nfs/dbraw/zinc/53/51/39/1223535139.db2.gz FJFJTRQVJFXULL-YCPHGPKFSA-N 0 3 366.462 0.394 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001208638168 1223565286 /nfs/dbraw/zinc/56/52/86/1223565286.db2.gz HJJPFTQCWUWENP-PITCONLNSA-N 0 3 374.485 0.753 20 30 FCEDHN C=CCCOCC(=O)N[C@@H]1CN(C[C@@H](O)COC2CCOCC2)C[C@H]1C ZINC001211422086 1223740523 /nfs/dbraw/zinc/74/05/23/1223740523.db2.gz BBIYWMBDXMBLKI-JFIYKMOQSA-N 0 3 370.490 0.572 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@H](OC)C1 ZINC001213204633 1223767856 /nfs/dbraw/zinc/76/78/56/1223767856.db2.gz VYFMBWHCDCLVGR-HZPDHXFCSA-N 0 3 357.418 0.453 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cccc3nc[nH]c32)[C@H](OC)C1 ZINC001213606155 1223821773 /nfs/dbraw/zinc/82/17/73/1223821773.db2.gz JFYVFMSGWSMLQS-DAXOMENPSA-N 0 3 371.441 0.683 20 30 FCEDHN CCCCCCCN1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@H](OC)C1 ZINC001213673775 1223831097 /nfs/dbraw/zinc/83/10/97/1223831097.db2.gz JVYMBBKPCNBTIX-HUUCEWRRSA-N 0 3 368.478 0.714 20 30 FCEDHN C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)[C@H](OC)C1 ZINC001213738863 1223841822 /nfs/dbraw/zinc/84/18/22/1223841822.db2.gz OMKXBZKEUNZLJV-HZPDHXFCSA-N 0 3 357.410 0.965 20 30 FCEDHN C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)[C@H](OC)C1 ZINC001213738863 1223841824 /nfs/dbraw/zinc/84/18/24/1223841824.db2.gz OMKXBZKEUNZLJV-HZPDHXFCSA-N 0 3 357.410 0.965 20 30 FCEDHN C=C(C)CN(CC)C(=O)CN1C[C@@H](NC(=O)CN(C)C(C)C)[C@H](OC)C1 ZINC001213927318 1223874176 /nfs/dbraw/zinc/87/41/76/1223874176.db2.gz CDDPEVILKWFNGZ-IAGOWNOFSA-N 0 3 368.522 0.567 20 30 FCEDHN C=CCN(CC=C)C(=O)CN1C[C@@H](NC(=O)CN(C)C(C)C)[C@H](OC)C1 ZINC001213929894 1223874802 /nfs/dbraw/zinc/87/48/02/1223874802.db2.gz QELIAKNRAHWYGS-IAGOWNOFSA-N 0 3 366.506 0.343 20 30 FCEDHN C=CCCOCC(=O)N[C@@H]1CN(CCCCCn2cncn2)C[C@H]1OC ZINC001213964073 1223878658 /nfs/dbraw/zinc/87/86/58/1223878658.db2.gz OVKGNSOESHIGMU-IAGOWNOFSA-N 0 3 365.478 0.857 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CCc2ccco2)C[C@H]1C ZINC001214125822 1223891579 /nfs/dbraw/zinc/89/15/79/1223891579.db2.gz BYZNLVWFJYMNPI-UKRRQHHQSA-N 0 3 362.430 0.661 20 30 FCEDHN COc1ccc(C#N)cc1CN[C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@H]1C ZINC001214181451 1223894700 /nfs/dbraw/zinc/89/47/00/1223894700.db2.gz TYCCSNYWZWREGS-CXAGYDPISA-N 0 3 358.442 0.982 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ncoc2C)C[C@H]1C ZINC001214252514 1223898510 /nfs/dbraw/zinc/89/85/10/1223898510.db2.gz LFNANXUMNKJYBV-NTZNESFSSA-N 0 3 363.418 0.433 20 30 FCEDHN C=CCCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CCOCC2)C1 ZINC001214286028 1223899819 /nfs/dbraw/zinc/89/98/19/1223899819.db2.gz QUZQKMNCOPWKIB-HLLBOEOZSA-N 0 3 367.490 0.699 20 30 FCEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1C ZINC001214287959 1223899933 /nfs/dbraw/zinc/89/99/33/1223899933.db2.gz IVKYZMGMFWFPDV-NVXWUHKLSA-N 0 3 361.490 0.824 20 30 FCEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)CCC(=O)NCC)C[C@H]1C ZINC001214315492 1223901093 /nfs/dbraw/zinc/90/10/93/1223901093.db2.gz PDPJDIDBTNJYKW-HZPDHXFCSA-N 0 3 364.490 0.540 20 30 FCEDHN C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)Nc2ccccc2)C1 ZINC001214337994 1223902072 /nfs/dbraw/zinc/90/20/72/1223902072.db2.gz ICVDMWJNIYUJEY-GZBFAFLISA-N 0 3 357.414 0.931 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2cncc(C)c2)C[C@H]1C ZINC001214389172 1223907004 /nfs/dbraw/zinc/90/70/04/1223907004.db2.gz RXVLQRCQPWJXNV-UKRRQHHQSA-N 0 3 359.430 0.452 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C[C@H]1C ZINC001214393659 1223907334 /nfs/dbraw/zinc/90/73/34/1223907334.db2.gz CZTULKKRCKGNJB-GAGVYUBLSA-N 0 3 362.474 0.871 20 30 FCEDHN C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NCC(=O)NC[C@H]1CCCO1 ZINC001214407154 1223907675 /nfs/dbraw/zinc/90/76/75/1223907675.db2.gz PIRNQAWQTQRNQN-XNRPHZJLSA-N 0 3 359.430 0.232 20 30 FCEDHN C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NCC(=O)N(C)CC(F)(F)F ZINC001214407357 1223907689 /nfs/dbraw/zinc/90/76/89/1223907689.db2.gz SNGPVNRIGUCDSH-ZWNOBZJWSA-N 0 3 371.363 0.957 20 30 FCEDHN C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NCC(=O)NC[C@@H]1CCCO1 ZINC001214407153 1223907706 /nfs/dbraw/zinc/90/77/06/1223907706.db2.gz PIRNQAWQTQRNQN-IVMMDQJWSA-N 0 3 359.430 0.232 20 30 FCEDHN C=CCOCCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CCOCC2)C1 ZINC001214404242 1223907991 /nfs/dbraw/zinc/90/79/91/1223907991.db2.gz GMFGPJNROFSTGC-NVXWUHKLSA-N 0 3 367.490 0.701 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2ncccc2C)C[C@H]1C ZINC001214411129 1223908348 /nfs/dbraw/zinc/90/83/48/1223908348.db2.gz FTDRMAPVMDWJNB-ZIAGYGMSSA-N 0 3 359.430 0.452 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)C[C@H]1C ZINC001214441361 1223910454 /nfs/dbraw/zinc/91/04/54/1223910454.db2.gz KICIKDDEXRJRPQ-RBSFLKMASA-N 0 3 364.446 0.138 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)[C@@H](C)n2cncn2)C[C@H]1C ZINC001214456851 1223911433 /nfs/dbraw/zinc/91/14/33/1223911433.db2.gz VHZXQBZVVCGGCN-RBSFLKMASA-N 0 3 361.450 0.038 20 30 FCEDHN C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](NCc2cccc(NC(C)=O)c2)C1 ZINC001214472039 1223912478 /nfs/dbraw/zinc/91/24/78/1223912478.db2.gz JCHMSHYUGROUOG-RDTXWAMCSA-N 0 3 370.453 0.721 20 30 FCEDHN C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC2CCCC2)C1 ZINC001214475699 1223912857 /nfs/dbraw/zinc/91/28/57/1223912857.db2.gz MWPRLGSNUFEOPF-IJEWVQPXSA-N 0 3 362.474 0.010 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C ZINC001214585424 1223923959 /nfs/dbraw/zinc/92/39/59/1223923959.db2.gz JKALWSCWLJHERP-QLFBSQMISA-N 0 3 362.474 0.873 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H](OCC)C(C)C)C[C@H]1C ZINC001214598039 1223924881 /nfs/dbraw/zinc/92/48/81/1223924881.db2.gz SMVRQFXMAJJGRB-FMKPAKJESA-N 0 3 368.478 0.496 20 30 FCEDHN C#CCOCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N[C@@H](C)c2ccco2)C1 ZINC001214611099 1223926051 /nfs/dbraw/zinc/92/60/51/1223926051.db2.gz OTDXQBIINZDXHR-OWCLPIDISA-N 0 3 361.442 0.933 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ccnn2C2CCC2)C[C@H]1C ZINC001214655162 1223929621 /nfs/dbraw/zinc/92/96/21/1223929621.db2.gz BQMLMMWSZXLCLY-IIAWOOMASA-N 0 3 357.458 0.796 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)Cc2cn3c(n2)CCCC3)C[C@H]1C ZINC001214672417 1223930835 /nfs/dbraw/zinc/93/08/35/1223930835.db2.gz KCPYEVJOOHHARR-GDBMZVCRSA-N 0 3 359.474 0.501 20 30 FCEDHN COc1ccc(CC(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)c(C)c1 ZINC001214708689 1223935628 /nfs/dbraw/zinc/93/56/28/1223935628.db2.gz SLWOAHKQKDLOES-RHSMWYFYSA-N 0 3 358.442 0.622 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)C[C@H]2COc3ccccc3O2)C[C@H]1C ZINC001214725448 1223935829 /nfs/dbraw/zinc/93/58/29/1223935829.db2.gz ITDXKYKEAKFLIG-OWCLPIDISA-N 0 3 371.437 0.402 20 30 FCEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1C ZINC001214759588 1223939102 /nfs/dbraw/zinc/93/91/02/1223939102.db2.gz BNNXFQMCHFQBIO-BZUAXINKSA-N 0 3 362.474 0.102 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCn2ccccc2=O)C[C@H]1C ZINC001214775338 1223941103 /nfs/dbraw/zinc/94/11/03/1223941103.db2.gz BSPBOXGORWLUJB-BZUAXINKSA-N 0 3 360.458 0.366 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ncccc2NC(C)=O)C[C@H]1C ZINC001214809920 1223944105 /nfs/dbraw/zinc/94/41/05/1223944105.db2.gz WRRHOWPDMWISMX-DVOMOZLQSA-N 0 3 371.441 0.228 20 30 FCEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1C ZINC001214843039 1223946868 /nfs/dbraw/zinc/94/68/68/1223946868.db2.gz DWFMUZJNONNYFJ-BZUAXINKSA-N 0 3 362.474 0.150 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cnc3nccnc3c2)C[C@H]1C ZINC001214869352 1223950286 /nfs/dbraw/zinc/95/02/86/1223950286.db2.gz MQRWRLVOBRSTFY-IUODEOHRSA-N 0 3 354.414 0.377 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(C)(C)CC)C1 ZINC001214880347 1223951207 /nfs/dbraw/zinc/95/12/07/1223951207.db2.gz DNESMBRSMGFFND-ZACQAIPSSA-N 0 3 362.518 0.825 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cn(C)c(C)cc2=O)C[C@H]1C ZINC001214908962 1223954320 /nfs/dbraw/zinc/95/43/20/1223954320.db2.gz GPWBCMLKBVNXPS-IVMMDQJWSA-N 0 3 360.458 0.435 20 30 FCEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1C ZINC001214923586 1223955371 /nfs/dbraw/zinc/95/53/71/1223955371.db2.gz FLKQALNEVPQWGI-BZUAXINKSA-N 0 3 362.474 0.292 20 30 FCEDHN 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/nfs/dbraw/zinc/16/34/15/1257163415.db2.gz SJIBVBNJFIFFBM-MLGOLLRUSA-N 0 3 371.416 0.985 20 30 FCEDHN C=CCN1CC[C@H](N[C@@H]2CN(C(=O)c3ccc(C(N)=O)nc3)C[C@H]2C)C1=O ZINC001082958187 1257168189 /nfs/dbraw/zinc/16/81/89/1257168189.db2.gz KHQJLJOJTVNZBE-UHOFOFEASA-N 0 3 371.441 0.018 20 30 FCEDHN C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)c3cc(CC)n(C)n3)C[C@H]2C)C1=O ZINC001082960970 1257170317 /nfs/dbraw/zinc/17/03/17/1257170317.db2.gz MNPGBTCDXYZUGL-FRFSOERESA-N 0 3 359.474 0.820 20 30 FCEDHN COc1ccc(CN2C[C@@H](NC(=O)Cc3cnc[nH]3)[C@@H](O)C2)cc1C#N ZINC001083814498 1257564815 /nfs/dbraw/zinc/56/48/15/1257564815.db2.gz GROSHRKUPPLZJQ-CVEARBPZSA-N 0 3 355.398 0.194 20 30 FCEDHN CC(C)(C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O)c1cnc[nH]1 ZINC001083955900 1257746013 /nfs/dbraw/zinc/74/60/13/1257746013.db2.gz XCHLVDMSKNDPKY-SJORKVTESA-N 0 3 352.438 0.900 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3ccn(C)c(=O)c3)C[C@H]21 ZINC001084417793 1258099064 /nfs/dbraw/zinc/09/90/64/1258099064.db2.gz FNWSAESXEYJVRE-CEXWTWQISA-N 0 3 368.481 0.516 20 30 FCEDHN CC#CCN1CC[C@@H]2CCN(C(=O)Cn3nc4ccccn4c3=O)C[C@@H]21 ZINC001085001556 1258507425 /nfs/dbraw/zinc/50/74/25/1258507425.db2.gz NEDHXWBUFMLHJL-CVEARBPZSA-N 0 3 353.426 0.442 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CCN(CCN3CCNC3=O)[C@H]2C1 ZINC001085038045 1258539391 /nfs/dbraw/zinc/53/93/91/1258539391.db2.gz SLSPERUSTKUTSU-NCOADZHNSA-N 0 3 362.474 0.526 20 30 FCEDHN C=CCn1cc(C(=O)N2CC[C@H]3CCN(CCc4ccnn4C)[C@H]3C2)nn1 ZINC001085051889 1258546439 /nfs/dbraw/zinc/54/64/39/1258546439.db2.gz OUKGBZCNGGAFNK-QAPCUYQASA-N 0 3 369.473 0.977 20 30 FCEDHN C#CCN1CCC(C(=O)N2CC[C@H]3CCN(Cc4cnn(C)n4)[C@H]3C2)CC1 ZINC001085100423 1258593689 /nfs/dbraw/zinc/59/36/89/1258593689.db2.gz AUEVFFNOYFVTLH-APWZRJJASA-N 0 3 370.501 0.583 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1c1ccc(OC)cc1 ZINC001100161151 1258906279 /nfs/dbraw/zinc/90/62/79/1258906279.db2.gz ASNPVJHXQGMRPT-ZWKOTPCHSA-N 0 3 353.426 0.894 20 30 FCEDHN CCNC(=O)CN[C@@H]1C[C@@]2(CN(C(=O)C#CC3CC3)[C@H]2C(C)C)C[C@H]1O ZINC001105628507 1258919611 /nfs/dbraw/zinc/91/96/11/1258919611.db2.gz WEARNFZNCWCGQD-YKCBXCCJSA-N 0 3 361.486 0.502 20 30 FCEDHN C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)n[n-]2)C[C@H]1C ZINC001106762415 1258956563 /nfs/dbraw/zinc/95/65/63/1258956563.db2.gz DKSCVLBIIKCRSC-GHMZBOCLSA-N 0 3 371.363 0.476 20 30 FCEDHN C#CCNC(=O)CC(=O)NC[C@]12CCC[C@H]1N(Cc1cc(C)ncn1)CC2 ZINC001107374280 1259064518 /nfs/dbraw/zinc/06/45/18/1259064518.db2.gz ODTQTVSVZURYGN-YLJYHZDGSA-N 0 3 369.469 0.785 20 30 FCEDHN COCC#CCN1CC[C@@]2(CNC(=O)[C@@H]3CCNC(=O)CC3)CCC[C@@H]12 ZINC001107484948 1259102637 /nfs/dbraw/zinc/10/26/37/1259102637.db2.gz BUYCUCLENDGAAQ-SQGPQFPESA-N 0 3 361.486 0.913 20 30 FCEDHN COc1ccc(C#N)cc1CN1CC[C@@]2(CNC(=O)C(N)=O)CCC[C@@H]12 ZINC001107528512 1259109249 /nfs/dbraw/zinc/10/92/49/1259109249.db2.gz YWSFTRMZNITDPH-VQIMIIECSA-N 0 3 356.426 0.913 20 30 FCEDHN COCC#CCN1CC[C@@]2(CNC(=O)[C@H]3CCN(C(C)=O)C3)CCC[C@@H]12 ZINC001107620815 1259136178 /nfs/dbraw/zinc/13/61/78/1259136178.db2.gz ZSLOGLLWRKHKJB-NLWGTHIKSA-N 0 3 361.486 0.865 20 30 FCEDHN C=CCN1CC[C@H](N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(N(C)C)CCC2)C3)C1=O ZINC001109403476 1259158377 /nfs/dbraw/zinc/15/83/77/1259158377.db2.gz IRMCEBAPFMFRST-QZWWFDLISA-N 0 3 360.502 0.979 20 30 FCEDHN C=CCNCc1cccc(N2CC[C@@H](NC(=O)[C@H]3OCCO[C@H]3C)C2)n1 ZINC001128113413 1259194185 /nfs/dbraw/zinc/19/41/85/1259194185.db2.gz VMXJVSQYLKTPNB-LESCRADOSA-N 0 3 360.458 0.856 20 30 FCEDHN C=CCCCCCN1C[C@@H](NC(=O)CNC(=O)CC)[C@@H](n2ccnn2)C1 ZINC001128834846 1259244559 /nfs/dbraw/zinc/24/45/59/1259244559.db2.gz SZCGCDIROHDMEI-CVEARBPZSA-N 0 3 362.478 0.892 20 30 FCEDHN CCOC1CC(CN2C[C@@H](NC(=O)C#CC3CC3)[C@@H](n3ccnn3)C2)C1 ZINC001128985937 1259283394 /nfs/dbraw/zinc/28/33/94/1259283394.db2.gz YIYGSHICUHHTHE-HIEASXQVSA-N 0 3 357.458 0.848 20 30 FCEDHN C#CCOCCC(=O)N[C@@H]1CN(C[C@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001128999334 1259287000 /nfs/dbraw/zinc/28/70/00/1259287000.db2.gz VKEALZIRRPWHST-ZACQAIPSSA-N 0 3 361.446 0.086 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)CCc2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001129029419 1259292470 /nfs/dbraw/zinc/29/24/70/1259292470.db2.gz DSUNYQSBXFBVLQ-SJORKVTESA-N 0 3 357.462 0.952 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)CCn2ccccc2=O)[C@@H](n2ccnn2)C1 ZINC001129032993 1259295819 /nfs/dbraw/zinc/29/58/19/1259295819.db2.gz XQHZLDQSVINFCZ-CVEARBPZSA-N 0 3 356.430 0.448 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)[C@H]2COCCN2CC)[C@@H](n2ccnn2)C1 ZINC001129084268 1259306737 /nfs/dbraw/zinc/30/67/37/1259306737.db2.gz GEOYKXNXWNPBCK-IXDOHACOSA-N 0 3 362.478 0.307 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)Cc2ccc(=O)[nH]c2)[C@@H](n2ccnn2)C1 ZINC001129103651 1259314145 /nfs/dbraw/zinc/31/41/45/1259314145.db2.gz OWKSMVQJYPNIHO-CVEARBPZSA-N 0 3 356.430 0.929 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)CCc2nccn2C)[C@@H](n2ccnn2)C1 ZINC001129122160 1259321062 /nfs/dbraw/zinc/32/10/62/1259321062.db2.gz FFGTTXUKETVCRA-CVEARBPZSA-N 0 3 357.462 0.952 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)c2nccn3ccnc23)[C@@H](n2ccnn2)C1 ZINC001129271969 1259361138 /nfs/dbraw/zinc/36/11/38/1259361138.db2.gz SUIMHPCEGHCZNS-CABCVRRESA-N 0 3 366.429 0.942 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@H](CNCC(=O)NC(C)C)C1 ZINC001200537152 1259416813 /nfs/dbraw/zinc/41/68/13/1259416813.db2.gz MJESIXKVNDKJOQ-ZACQAIPSSA-N 0 3 367.490 0.699 20 30 FCEDHN C#CCNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CCCO1 ZINC001200547064 1259416943 /nfs/dbraw/zinc/41/69/43/1259416943.db2.gz LLEXKILIDIEJBI-VSZNYVQBSA-N 0 3 359.470 0.545 20 30 FCEDHN C#CCNC[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)CCCO1 ZINC001200721743 1259418909 /nfs/dbraw/zinc/41/89/09/1259418909.db2.gz OPMVIDVEDRVSJD-JFIYKMOQSA-N 0 3 360.458 0.821 20 30 FCEDHN COCC#CCN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1ccccc1 ZINC001211674422 1259425836 /nfs/dbraw/zinc/42/58/36/1259425836.db2.gz CSDUFTGKYZASHC-VSZNYVQBSA-N 0 3 355.438 0.342 20 30 FCEDHN COCC#CCN[C@@H]1CN(C(=O)[C@@H](COC)OC)C[C@H]1c1ccccc1 ZINC001211670830 1259425985 /nfs/dbraw/zinc/42/59/85/1259425985.db2.gz KZUDERRUAGWMHW-IPMKNSEASA-N 0 3 360.454 0.882 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)C[C@H]1c1ccccc1 ZINC001211743311 1259427643 /nfs/dbraw/zinc/42/76/43/1259427643.db2.gz BSBWLYPCJHRQMD-YESZJQIVSA-N 0 3 353.422 0.647 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)Cn2nnc(-c3ccco3)n2)[C@H](OC)C1 ZINC001212499080 1259527198 /nfs/dbraw/zinc/52/71/98/1259527198.db2.gz KUKPLNPPCCXNPL-UKRRQHHQSA-N 0 3 360.418 0.715 20 30 FCEDHN C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCCN2CC(C)C)[C@H](OC)C1 ZINC001212499004 1259527904 /nfs/dbraw/zinc/52/79/04/1259527904.db2.gz IIOWKULNJJJTEP-IXDOHACOSA-N 0 3 366.506 0.224 20 30 FCEDHN C#CCC1(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NCC=C)C2)CCOCC1 ZINC001214831382 1259533917 /nfs/dbraw/zinc/53/39/17/1259533917.db2.gz ABAWJVOZWUFYST-IXDOHACOSA-N 0 3 361.486 0.934 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ccnc3c2ncn3C)C[C@H]1C ZINC001215518455 1259534802 /nfs/dbraw/zinc/53/48/02/1259534802.db2.gz BFCKYLOUYGKHMU-UMVBOHGHSA-N 0 3 368.441 0.156 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ccc3c(c2)CCN3C)C[C@H]1C ZINC001216229740 1259537424 /nfs/dbraw/zinc/53/74/24/1259537424.db2.gz NWJWFBIZDDKSOL-IIDMSEBBSA-N 0 3 368.481 0.867 20 30 FCEDHN C#CCN1CCC[C@@H](NC(=O)/C(C)=C/C(=O)N[C@H]2CCCN(CC#C)C2)C1 ZINC001521976718 1266270176 /nfs/dbraw/zinc/27/01/76/1266270176.db2.gz RNNCBGZYHUZWGW-YJCQYLIDSA-N 0 3 370.497 0.360 20 30 FCEDHN CCN1CCN(CCNCCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC001335350722 1259620693 /nfs/dbraw/zinc/62/06/93/1259620693.db2.gz INERHBPOAFCDBW-UHFFFAOYSA-N 0 3 350.488 0.559 20 30 FCEDHN CCN1CCN([C@@H](C)CNCCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC001335350980 1259621143 /nfs/dbraw/zinc/62/11/43/1259621143.db2.gz KBXIBKOCBVRQHH-INIZCTEOSA-N 0 3 364.515 0.948 20 30 FCEDHN C=CCOC[C@@H](O)CNCC(=O)NC[C@@H](O)c1cc(OC)ccc1OC ZINC001252488908 1259791737 /nfs/dbraw/zinc/79/17/37/1259791737.db2.gz VOTURSVBDYKQBT-XJKSGUPXSA-N 0 3 368.430 0.007 20 30 FCEDHN C=CCOC[C@H](O)CN1C[C@@H]2CN(C(=O)c3cccn3C)CCO[C@@H]2C1 ZINC001252466038 1259792783 /nfs/dbraw/zinc/79/27/83/1259792783.db2.gz LORUZVFYURSLNP-JFIYKMOQSA-N 0 3 363.458 0.361 20 30 FCEDHN C=C[C@@H](O)CN1CCc2cc(C(=O)OC)c(N3CCOCC3)nc2CC1 ZINC001253578192 1259843128 /nfs/dbraw/zinc/84/31/28/1259843128.db2.gz WZHWHVWMNDSRIX-OAHLLOKOSA-N 0 3 361.442 0.652 20 30 FCEDHN C=CCN1CCN(C(C)C)C(=O)[C@]12CCN(C[C@@H](O)CC(=O)OCC)C2 ZINC001253794943 1259855388 /nfs/dbraw/zinc/85/53/88/1259855388.db2.gz LIQIEWHSXUYBTH-QFBILLFUSA-N 0 3 367.490 0.484 20 30 FCEDHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CCO[C@@H](C#N)C2)c1 ZINC001261341867 1260123272 /nfs/dbraw/zinc/12/32/72/1260123272.db2.gz JXWKZOCNUBGKBV-KRWDZBQOSA-N 0 3 374.441 0.336 20 30 FCEDHN CN1CCCC[C@@H]1C(=O)N1Cc2n[nH]c(C(=O)N3CC(CC#N)C3)c2C1 ZINC001273138887 1260603417 /nfs/dbraw/zinc/60/34/17/1260603417.db2.gz VVSGCYPFTYQPKB-OAHLLOKOSA-N 0 3 356.430 0.722 20 30 FCEDHN C=CCOC[C@H](O)CN1CCC[C@]12CCN(Cc1cc(C)nn1C)C2=O ZINC001277779336 1260670366 /nfs/dbraw/zinc/67/03/66/1260670366.db2.gz ZOOJYPCNZPPZHI-IEBWSBKVSA-N 0 3 362.474 0.859 20 30 FCEDHN COCC#CC(=O)N1CCc2onc(C(=O)NC3CCN(C)CC3)c2C1 ZINC001278741873 1260722626 /nfs/dbraw/zinc/72/26/26/1260722626.db2.gz QCUBUBBSEHNYBT-UHFFFAOYSA-N 0 3 360.414 0.033 20 30 FCEDHN C=CCCCN1CCn2c(nnc2C(=O)NCCn2ccnn2)C[C@@H]1C ZINC001280120093 1261008767 /nfs/dbraw/zinc/00/87/67/1261008767.db2.gz FVGMYZVZHMLCMI-AWEZNQCLSA-N 0 3 358.450 0.512 20 30 FCEDHN COc1ccc(C#N)cc1CNC[C@H](O)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001320278361 1263782074 /nfs/dbraw/zinc/78/20/74/1263782074.db2.gz BGBOZJOCTJKVFC-LHHMISFZSA-N 0 3 359.426 0.701 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NCc2cn(-c3ccccc3)nn2)CC1 ZINC001322801398 1264269339 /nfs/dbraw/zinc/26/93/39/1264269339.db2.gz AFQNLEHTNUTZAW-UHFFFAOYSA-N 0 3 368.441 0.650 20 30 FCEDHN CC#CCCNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001323450058 1264431912 /nfs/dbraw/zinc/43/19/12/1264431912.db2.gz KZYIWUONIFTOMA-SFHVURJKSA-N 0 3 357.454 0.923 20 30 FCEDHN N#Cc1ccc(N2C[C@H](C(=O)N[C@H]3CCCN(CCCO)C3)CC2=O)cc1 ZINC001325232533 1264819504 /nfs/dbraw/zinc/81/95/04/1264819504.db2.gz RPDVNHNTRWFULE-SJORKVTESA-N 0 3 370.453 0.874 20 30 FCEDHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)c1c[nH]c(C#N)c1 ZINC001580403314 1278233612 /nfs/dbraw/zinc/23/36/12/1278233612.db2.gz ZAAOCCCOHIAYAL-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)c1c[nH]c(C#N)c1 ZINC001580403314 1278233627 /nfs/dbraw/zinc/23/36/27/1278233627.db2.gz ZAAOCCCOHIAYAL-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN CO[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC001325591206 1264937277 /nfs/dbraw/zinc/93/72/77/1264937277.db2.gz WTMRCEKHKFPCDS-QGZVFWFLSA-N 0 3 358.442 0.696 20 30 FCEDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC001522822841 1266584856 /nfs/dbraw/zinc/58/48/56/1266584856.db2.gz AYWGUECGFXQOOD-SDDRHHMPSA-N 0 3 350.444 0.322 20 30 FCEDHN CN1CCN(CCNC(=O)C(=O)NCCc2ccc(C#N)cc2)CC1(C)C ZINC001334086330 1266813922 /nfs/dbraw/zinc/81/39/22/1266813922.db2.gz NDRXVRZRTNZNEF-UHFFFAOYSA-N 0 3 371.485 0.359 20 30 FCEDHN C=CCn1c([C@H](C)O)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001338806184 1268099917 /nfs/dbraw/zinc/09/99/17/1268099917.db2.gz AKOCVUMEEHHWEC-AWEZNQCLSA-N 0 3 350.467 0.508 20 30 FCEDHN C=CCn1c(C[N+](=O)[O-])nnc1N1CCN(CC2CCOCC2)CC1 ZINC001339157164 1268176983 /nfs/dbraw/zinc/17/69/83/1268176983.db2.gz FKGLMAPKORJJAK-UHFFFAOYSA-N 0 3 350.423 0.789 20 30 FCEDHN C=CCn1c(-c2n[nH]nc2C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001339655698 1268294738 /nfs/dbraw/zinc/29/47/38/1268294738.db2.gz CEEHYFOIAADTDA-AWEZNQCLSA-N 0 3 358.450 0.716 20 30 FCEDHN CCn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001340262224 1268491073 /nfs/dbraw/zinc/49/10/73/1268491073.db2.gz UKWIYWOSWZGTMS-HUUCEWRRSA-N 0 3 357.462 0.669 20 30 FCEDHN C=CCn1c(-c2c[nH]nn2)nnc1N1CCC[C@H](CN2CCOCC2)C1 ZINC001340380100 1268528033 /nfs/dbraw/zinc/52/80/33/1268528033.db2.gz MVFRENIAKLRHAY-CQSZACIVSA-N 0 3 358.450 0.798 20 30 FCEDHN N#CCc1ccc(OC[C@@H](O)CN2CC[C@@H](CS(N)(=O)=O)C2)cc1 ZINC001560193628 1269195582 /nfs/dbraw/zinc/19/55/82/1269195582.db2.gz HMZFUOKVAPLIOY-CABCVRRESA-N 0 3 353.444 0.103 20 30 FCEDHN CCc1nc(CC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)cs1 ZINC001341786152 1269204478 /nfs/dbraw/zinc/20/44/78/1269204478.db2.gz FMNMVIIQIMIOPU-NSHDSACASA-N 0 3 355.441 0.214 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCCC[C@H](S(C)(=O)=O)C2)CC1 ZINC001341900209 1269259112 /nfs/dbraw/zinc/25/91/12/1269259112.db2.gz XGSUNVNNCKOHOB-HNNXBMFYSA-N 0 3 371.503 0.179 20 30 FCEDHN C=CCn1c(CCc2nnn[n-]2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001342039434 1269316295 /nfs/dbraw/zinc/31/62/95/1269316295.db2.gz UOCARFYGPJXXLA-AWEZNQCLSA-N 0 3 357.466 0.827 20 30 FCEDHN C=CCn1c(CCc2nn[n-]n2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001342039434 1269316306 /nfs/dbraw/zinc/31/63/06/1269316306.db2.gz UOCARFYGPJXXLA-AWEZNQCLSA-N 0 3 357.466 0.827 20 30 FCEDHN COCCCNC(=O)C(C#N)C(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC001342597011 1269532032 /nfs/dbraw/zinc/53/20/32/1269532032.db2.gz GDKHBAIRICANDB-KGLIPLIRSA-N 0 3 364.423 0.809 20 30 FCEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCN2C(=O)CNC2=O)cc1 ZINC001342604709 1269534496 /nfs/dbraw/zinc/53/44/96/1269534496.db2.gz HKGJXYWLKFRORB-CYBMUJFWSA-N 0 3 358.354 0.675 20 30 FCEDHN N#Cc1cccc(CN2CC[C@@H]3CN(C(=O)CCNC(N)=O)C[C@@H]3C2)c1 ZINC001566053863 1269588662 /nfs/dbraw/zinc/58/86/62/1269588662.db2.gz CKAMBKJZRPHTHB-SJORKVTESA-N 0 3 355.442 0.897 20 30 FCEDHN C=C(C)Cn1c(Cc2nnc[nH]2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001342844574 1269639488 /nfs/dbraw/zinc/63/94/88/1269639488.db2.gz WHWGZYSIFOXSNM-UHFFFAOYSA-N 0 3 372.477 0.864 20 30 FCEDHN CCn1c(CCCC#N)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001342846481 1269639676 /nfs/dbraw/zinc/63/96/76/1269639676.db2.gz JAJWHKHJKVAKEC-HNNXBMFYSA-N 0 3 359.478 0.887 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)[C@@H](O)C2)cc1 ZINC001343466138 1269916971 /nfs/dbraw/zinc/91/69/71/1269916971.db2.gz JSLWBDYKOQWMQB-SQNIBIBYSA-N 0 3 357.454 0.556 20 30 FCEDHN CCN(CC)[C@H](CNC(=O)C(=O)N1CCO[C@@H](C#N)C1)c1ccccc1 ZINC001344840198 1270254534 /nfs/dbraw/zinc/25/45/34/1270254534.db2.gz CKRHIKBBUDYUMX-DLBZAZTESA-N 0 3 358.442 0.937 20 30 FCEDHN CCN(CC)[C@@H](CNC(=O)C(=O)N1CCO[C@H](C#N)C1)c1ccccc1 ZINC001344840201 1270254779 /nfs/dbraw/zinc/25/47/79/1270254779.db2.gz CKRHIKBBUDYUMX-SJORKVTESA-N 0 3 358.442 0.937 20 30 FCEDHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCC#Cc1ccccc1 ZINC001344908194 1270275994 /nfs/dbraw/zinc/27/59/94/1270275994.db2.gz MPFZSUVFSPYELI-UHFFFAOYSA-N 0 3 356.470 0.250 20 30 FCEDHN C#CCCCCn1c(C2CC2)nnc1N1C[C@H]2[C@H](C1)S(=O)(=O)C[C@H]2N ZINC001574545601 1271333943 /nfs/dbraw/zinc/33/39/43/1271333943.db2.gz SUKFULCYVHSGMW-KFWWJZLASA-N 0 3 363.487 0.520 20 30 FCEDHN C#CCCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H]2[C@H](N)CS(=O)(=O)[C@@H]2C1 ZINC001574569718 1271369395 /nfs/dbraw/zinc/36/93/95/1271369395.db2.gz OUULBINABLCKHM-UMVBOHGHSA-N 0 3 374.470 0.247 20 30 FCEDHN C=CCNC(=O)Cn1c([C@@H]2CCCN2)nnc1N1CCS[C@H](C)C1 ZINC001574936539 1271682134 /nfs/dbraw/zinc/68/21/34/1271682134.db2.gz MMEFJKKWVSOOOY-OLZOCXBDSA-N 0 3 350.492 0.947 20 30 FCEDHN C=C(Cl)CN[C@]1(CO)CCCN(C(=O)[C@@H](C)OCc2c[nH]nn2)C1 ZINC001575058391 1271703147 /nfs/dbraw/zinc/70/31/47/1271703147.db2.gz ABALOAPIQAXFPG-IUODEOHRSA-N 0 3 357.842 0.405 20 30 FCEDHN C=CCCCN1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCN1Cc1c[nH]nn1)CO2 ZINC001575093720 1271716598 /nfs/dbraw/zinc/71/65/98/1271716598.db2.gz ORLREJZJQFRHBG-RDJZCZTQSA-N 0 3 374.489 0.695 20 30 FCEDHN C=CCNC(=O)CN(C)C[C@@H](C)NC(=O)c1ccc(-c2cn[nH]n2)cc1 ZINC001575103532 1271718905 /nfs/dbraw/zinc/71/89/05/1271718905.db2.gz FRNBPXTXZFOASK-CYBMUJFWSA-N 0 3 356.430 0.824 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)c1ccc(-c2cn[nH]n2)nc1 ZINC001575105011 1271721696 /nfs/dbraw/zinc/72/16/96/1271721696.db2.gz ZMFRDFVNPKAROW-NWDGAFQWSA-N 0 3 357.418 0.265 20 30 FCEDHN C[C@@H](C(=O)NCc1c[nH]nn1)N1CC[C@@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001575221122 1271809621 /nfs/dbraw/zinc/80/96/21/1271809621.db2.gz SFROLFPKJVMLQX-KBPBESRZSA-N 0 3 360.462 0.297 20 30 FCEDHN C[C@@H](CC#N)N(C)S(=O)(=O)N(Cc1ccccc1)CC1(O)CNC1 ZINC001575910789 1272558281 /nfs/dbraw/zinc/55/82/81/1272558281.db2.gz ASRXTHFSUIILLP-AWEZNQCLSA-N 0 3 352.460 0.302 20 30 FCEDHN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1[C@H](C)CNC[C@@H]1C ZINC001576250282 1273031878 /nfs/dbraw/zinc/03/18/78/1273031878.db2.gz DWYCSELRKNIZTB-XQQFMLRXSA-N 0 3 350.444 0.434 20 30 FCEDHN CCCN(CCNC(=O)c1ccc(C#N)[nH]1)[C@@H](C)C(=O)NCc1c[nH]nn1 ZINC001576480283 1273318111 /nfs/dbraw/zinc/31/81/11/1273318111.db2.gz OJRAWXWIHGGUHE-LBPRGKRZSA-N 0 3 372.433 0.151 20 30 FCEDHN C[C@@]1(CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CNCCO1 ZINC001576511652 1273386540 /nfs/dbraw/zinc/38/65/40/1273386540.db2.gz ZBPBAVRTVFXHFJ-MJGOQNOKSA-N 0 3 357.458 0.784 20 30 FCEDHN COCC#CCN[C@@]1(CO)CCCN(C(=O)CCCCc2c[nH]nn2)C1 ZINC001576954444 1273976807 /nfs/dbraw/zinc/97/68/07/1273976807.db2.gz XQEYETPCJNFMFX-SFHVURJKSA-N 0 3 363.462 0.110 20 30 FCEDHN CCOC(=O)[C@@H]1CNCCN1CC#CCN1C(=O)c2ccccc2C1=O ZINC001577936108 1275152732 /nfs/dbraw/zinc/15/27/32/1275152732.db2.gz OEVLUKXEQWOREC-INIZCTEOSA-N 0 3 355.394 0.123 20 30 FCEDHN COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H](C)C#N ZINC001712424201 1287240783 /nfs/dbraw/zinc/24/07/83/1287240783.db2.gz BHEZDANEZGRCGO-UONOGXRCSA-N 0 3 363.466 0.403 20 30 FCEDHN CN(CC[NH2+]Cc1ccccc1-c1nnn[n-]1)C(=O)c1c[nH]c(C#N)c1 ZINC001579207066 1276996593 /nfs/dbraw/zinc/99/65/93/1276996593.db2.gz WJFAZIVJXRIFGG-UHFFFAOYSA-N 0 3 350.386 0.928 20 30 FCEDHN CN(CC[NH2+]Cc1ccccc1-c1nn[n-]n1)C(=O)c1c[nH]c(C#N)c1 ZINC001579207066 1276996595 /nfs/dbraw/zinc/99/65/95/1276996595.db2.gz WJFAZIVJXRIFGG-UHFFFAOYSA-N 0 3 350.386 0.928 20 30 FCEDHN C#CCCCC(=O)NCCN1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001588340491 1282436966 /nfs/dbraw/zinc/43/69/66/1282436966.db2.gz RUGIEZOZSKZULG-UHFFFAOYSA-N 0 3 368.445 0.303 20 30 FCEDHN C#CC[N@H+](C)CCCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001588349214 1282441990 /nfs/dbraw/zinc/44/19/90/1282441990.db2.gz IFYQLSAPVILFLW-QGZVFWFLSA-N 0 3 367.457 0.907 20 30 FCEDHN C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001588349214 1282441996 /nfs/dbraw/zinc/44/19/96/1282441996.db2.gz IFYQLSAPVILFLW-QGZVFWFLSA-N 0 3 367.457 0.907 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588351353 1282446491 /nfs/dbraw/zinc/44/64/91/1282446491.db2.gz PYPSTODXURMAPO-PBHICJAKSA-N 0 3 367.457 0.559 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001588351073 1282447471 /nfs/dbraw/zinc/44/74/71/1282447471.db2.gz DRAWSWCGGDWGFZ-CJNGLKHVSA-N 0 3 368.445 0.300 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N(CC)CC[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588357212 1282464769 /nfs/dbraw/zinc/46/47/69/1282464769.db2.gz JCTSDAHRDQARAJ-AWEZNQCLSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N(CC)CC[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001588357212 1282464772 /nfs/dbraw/zinc/46/47/72/1282464772.db2.gz JCTSDAHRDQARAJ-AWEZNQCLSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588358083 1282468520 /nfs/dbraw/zinc/46/85/20/1282468520.db2.gz PDRPGJPGBKGIQA-KGLIPLIRSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCOCCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588358718 1282470316 /nfs/dbraw/zinc/47/03/16/1282470316.db2.gz ABRVQWAVMXZJNP-KBPBESRZSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCOCCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001588358718 1282470322 /nfs/dbraw/zinc/47/03/22/1282470322.db2.gz ABRVQWAVMXZJNP-KBPBESRZSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@H](C)C(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001588358508 1282470464 /nfs/dbraw/zinc/47/04/64/1282470464.db2.gz YLBRBSBWSKUSGR-GFCCVEGCSA-N 0 3 372.404 0.783 20 30 FCEDHN C#CCOCCC(=O)NC1CC(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588361475 1282485771 /nfs/dbraw/zinc/48/57/71/1282485771.db2.gz NWLLLMGJWRFPDV-UHFFFAOYSA-N 0 3 368.441 0.891 20 30 FCEDHN C#CCOCCC(=O)NC1CC(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001588361475 1282485774 /nfs/dbraw/zinc/48/57/74/1282485774.db2.gz NWLLLMGJWRFPDV-UHFFFAOYSA-N 0 3 368.441 0.891 20 30 FCEDHN C#CCOCCC(=O)N[C@@H](C)CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001588362565 1282487205 /nfs/dbraw/zinc/48/72/05/1282487205.db2.gz LHTWDTLDJMTELG-LBPRGKRZSA-N 0 3 360.393 0.640 20 30 FCEDHN C#CCOCCC(=O)NCC1([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001588362168 1282487285 /nfs/dbraw/zinc/48/72/85/1282487285.db2.gz XNTCXUHJVZIDRX-UHFFFAOYSA-N 0 3 354.414 0.645 20 30 FCEDHN C#CCOCCC(=O)NCC1([NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001588362168 1282487291 /nfs/dbraw/zinc/48/72/91/1282487291.db2.gz XNTCXUHJVZIDRX-UHFFFAOYSA-N 0 3 354.414 0.645 20 30 FCEDHN C=CC(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001588475721 1282517050 /nfs/dbraw/zinc/51/70/50/1282517050.db2.gz RDLJABQXDSDORQ-CYBMUJFWSA-N 0 3 362.409 0.785 20 30 FCEDHN C=CC(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001588475721 1282517059 /nfs/dbraw/zinc/51/70/59/1282517059.db2.gz RDLJABQXDSDORQ-CYBMUJFWSA-N 0 3 362.409 0.785 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588498692 1282529055 /nfs/dbraw/zinc/52/90/55/1282529055.db2.gz CHEUZRWQZNNSTI-CRAIPNDOSA-N 0 3 356.430 0.884 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001588498692 1282529062 /nfs/dbraw/zinc/52/90/62/1282529062.db2.gz CHEUZRWQZNNSTI-CRAIPNDOSA-N 0 3 356.430 0.884 20 30 FCEDHN C=C[C@](C)(O)CC(=O)N[C@@H](C)CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001588503639 1282544003 /nfs/dbraw/zinc/54/40/03/1282544003.db2.gz BKVFGLGKUAVPFP-GTNSWQLSSA-N 0 3 362.409 0.927 20 30 FCEDHN C=C[C@](C)(O)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001588505760 1282547799 /nfs/dbraw/zinc/54/77/99/1282547799.db2.gz WWWMHFVWRYIKPU-SGTLLEGYSA-N 0 3 374.445 0.797 20 30 FCEDHN C=C[C@](C)(O)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001588505760 1282547807 /nfs/dbraw/zinc/54/78/07/1282547807.db2.gz WWWMHFVWRYIKPU-SGTLLEGYSA-N 0 3 374.445 0.797 20 30 FCEDHN C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001588601152 1282582295 /nfs/dbraw/zinc/58/22/95/1282582295.db2.gz WKIFEBCSEDMZRP-AWEZNQCLSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001588601152 1282582304 /nfs/dbraw/zinc/58/23/04/1282582304.db2.gz WKIFEBCSEDMZRP-AWEZNQCLSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001588601152 1282582311 /nfs/dbraw/zinc/58/23/11/1282582311.db2.gz WKIFEBCSEDMZRP-AWEZNQCLSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001588601152 1282582320 /nfs/dbraw/zinc/58/23/20/1282582320.db2.gz WKIFEBCSEDMZRP-AWEZNQCLSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)NCCC[NH2+]C ZINC001588639776 1282606243 /nfs/dbraw/zinc/60/62/43/1282606243.db2.gz WWTPBSDISMAHFI-UHFFFAOYSA-N 0 3 357.418 0.107 20 30 FCEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)NCCC[NH2+]C ZINC001588639776 1282606253 /nfs/dbraw/zinc/60/62/53/1282606253.db2.gz WWTPBSDISMAHFI-UHFFFAOYSA-N 0 3 357.418 0.107 20 30 FCEDHN C=CCN1CC[C@H]([NH2+][C@@H](C)CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1=O ZINC001588657652 1282609679 /nfs/dbraw/zinc/60/96/79/1282609679.db2.gz SDDYAVLLYRQNEB-FZMZJTMJSA-N 0 3 372.433 0.080 20 30 FCEDHN C=CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001588682602 1282644353 /nfs/dbraw/zinc/64/43/53/1282644353.db2.gz IKMWIHYJXWFVBI-AWEZNQCLSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001588682602 1282644368 /nfs/dbraw/zinc/64/43/68/1282644368.db2.gz IKMWIHYJXWFVBI-AWEZNQCLSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCOCC[NH2+][C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](C)C1 ZINC001588683304 1282645871 /nfs/dbraw/zinc/64/58/71/1282645871.db2.gz QHHILFMSGYCXGD-GXTWGEPZSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[NH2+][C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](C)C1 ZINC001588683304 1282645885 /nfs/dbraw/zinc/64/58/85/1282645885.db2.gz QHHILFMSGYCXGD-GXTWGEPZSA-N 0 3 359.434 0.980 20 30 FCEDHN COCC#CC[N@H+](CCCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001591360780 1284495955 /nfs/dbraw/zinc/49/59/55/1284495955.db2.gz HFPXLWSNOGEVHW-UHFFFAOYSA-N 0 3 359.434 0.675 20 30 FCEDHN COCC#CC[N@@H+](CCCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001591360780 1284495961 /nfs/dbraw/zinc/49/59/61/1284495961.db2.gz HFPXLWSNOGEVHW-UHFFFAOYSA-N 0 3 359.434 0.675 20 30 FCEDHN COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@H]1C ZINC001591360456 1284496422 /nfs/dbraw/zinc/49/64/22/1284496422.db2.gz DAYOBUFNQXINCA-UKRRQHHQSA-N 0 3 371.445 0.532 20 30 FCEDHN COCC#CC[NH2+]CCCC[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001591361816 1284498087 /nfs/dbraw/zinc/49/80/87/1284498087.db2.gz OJUQHFVDYOHJDH-ZDUSSCGKSA-N 0 3 359.434 0.723 20 30 FCEDHN COCC#CC[NH2+]CCCC[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001591361816 1284498091 /nfs/dbraw/zinc/49/80/91/1284498091.db2.gz OJUQHFVDYOHJDH-ZDUSSCGKSA-N 0 3 359.434 0.723 20 30 FCEDHN COCC#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001591363067 1284499910 /nfs/dbraw/zinc/49/99/10/1284499910.db2.gz YXOWIGCMRRQEKE-BBRMVZONSA-N 0 3 371.445 0.675 20 30 FCEDHN COCC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001591362719 1284500077 /nfs/dbraw/zinc/50/00/77/1284500077.db2.gz WRETTXAMFVLUCS-CHWSQXEVSA-N 0 3 357.418 0.285 20 30 FCEDHN C[NH+](C)CCCN(CCC#N)C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001604686470 1287732918 /nfs/dbraw/zinc/73/29/18/1287732918.db2.gz OLBLBPZPMCVVRB-UHFFFAOYSA-N 0 3 357.422 0.368 20 30 FCEDHN C[NH+](C)CCCN(CCC#N)C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001604686470 1287732926 /nfs/dbraw/zinc/73/29/26/1287732926.db2.gz OLBLBPZPMCVVRB-UHFFFAOYSA-N 0 3 357.422 0.368 20 30 FCEDHN N#Cc1ccc(C(=O)NCCC[NH2+]Cc2cccc(-c3nnn[n-]3)c2)[nH]1 ZINC001592690689 1285586588 /nfs/dbraw/zinc/58/65/88/1285586588.db2.gz SCMDZVBSUXLRCW-UHFFFAOYSA-N 0 3 350.386 0.976 20 30 FCEDHN N#Cc1ccc(C(=O)NCCC[NH2+]Cc2cccc(-c3nn[n-]n3)c2)[nH]1 ZINC001592690689 1285586591 /nfs/dbraw/zinc/58/65/91/1285586591.db2.gz SCMDZVBSUXLRCW-UHFFFAOYSA-N 0 3 350.386 0.976 20 30 FCEDHN COC(=O)[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(-c3nn[nH]n3)cc2)[C@H]1C ZINC001609296653 1289065486 /nfs/dbraw/zinc/06/54/86/1289065486.db2.gz POQZHHIVIBREAO-NILFDRSVSA-N 0 3 368.397 0.959 20 30 FCEDHN C=C(CC[NH+](C)C)C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001602768023 1287106348 /nfs/dbraw/zinc/10/63/48/1287106348.db2.gz PJOATCGLSAHJPC-UHFFFAOYSA-N 0 3 356.434 0.418 20 30 FCEDHN C=C(CC[NH+](C)C)C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001602768023 1287106365 /nfs/dbraw/zinc/10/63/65/1287106365.db2.gz PJOATCGLSAHJPC-UHFFFAOYSA-N 0 3 356.434 0.418 20 30 FCEDHN CO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001719231623 1287909338 /nfs/dbraw/zinc/90/93/38/1287909338.db2.gz JAHBYUNVSPXEMN-HUUCEWRRSA-N 0 3 359.430 0.326 20 30 FCEDHN N#Cc1ccc(CNC[C@H](O)CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)s1 ZINC001732650626 1288588672 /nfs/dbraw/zinc/58/86/72/1288588672.db2.gz GJNWPYVDWKSSQG-GVAFMPQTSA-N 0 3 365.455 0.238 20 30 FCEDHN C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)[C@H](CNCC(=O)NCC#N)C1 ZINC001692085663 1289392548 /nfs/dbraw/zinc/39/25/48/1289392548.db2.gz CQCPDQCYSCBZEH-BSWAZPDLSA-N 0 3 372.473 0.380 20 30 FCEDHN CC[C@@H](C(=O)N1C[C@H]2CCN(CC#CCOC)C[C@H]2C1)N1CCCC1=O ZINC001692084910 1289392662 /nfs/dbraw/zinc/39/26/62/1289392662.db2.gz QOOJIJPAHODSAH-SQNIBIBYSA-N 0 3 361.486 0.818 20 30 FCEDHN C[C@H](CNCc1ccc(F)c(C#N)c1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001698845580 1289538221 /nfs/dbraw/zinc/53/82/21/1289538221.db2.gz LJDMTFUZEUNUIV-XFBWCDHKSA-N 0 3 362.405 0.667 20 30 FCEDHN N#CCNC(=O)CNC[C@H](NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CCCCC1 ZINC001698881913 1289539898 /nfs/dbraw/zinc/53/98/98/1289539898.db2.gz QADZWEGKSPEEMB-ORVJBUBXSA-N 0 3 374.485 0.704 20 30 FCEDHN C#CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001699064028 1289544129 /nfs/dbraw/zinc/54/41/29/1289544129.db2.gz AKPKJCMUVSZNFQ-IPMKNSEASA-N 0 3 371.481 0.777 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)CNCC(=O)N(C)C1CCCCC1 ZINC001699067780 1289546359 /nfs/dbraw/zinc/54/63/59/1289546359.db2.gz YZYIPTLGYAOXDP-ZACQAIPSSA-N 0 3 367.490 0.435 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(CC)CCNCCN1CCCS1(=O)=O ZINC001699203614 1289548389 /nfs/dbraw/zinc/54/83/89/1289548389.db2.gz MDAAZTRQNMYCJY-CABCVRRESA-N 0 3 359.492 0.051 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@]1(O)CCN(CCc2ccns2)C1 ZINC001699902501 1289576474 /nfs/dbraw/zinc/57/64/74/1289576474.db2.gz YKIKJCZRLCAUMW-VYDXJSESSA-N 0 3 351.472 0.830 20 30 FCEDHN C#CCC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H](CC)N(C)C)C2)CCCCC1 ZINC001739443657 1290002362 /nfs/dbraw/zinc/00/23/62/1290002362.db2.gz BCNGNGKEDQRKAV-BRWVUGGUSA-N 0 3 363.502 0.988 20 30 FCEDHN N#Cc1cccc(CNCCN(CCO)C(=O)[C@H]2CC[C@@H](C(N)=O)C2)c1 ZINC001754891150 1290637407 /nfs/dbraw/zinc/63/74/07/1290637407.db2.gz LHHDVEKLXDVFOO-SJORKVTESA-N 0 3 358.442 0.370 20 30 FCEDHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CSCC#N)C[C@H]1OC ZINC001757132068 1290721624 /nfs/dbraw/zinc/72/16/24/1290721624.db2.gz FTFGGOSELAKNLK-QLFBSQMISA-N 0 3 368.503 0.460 20 30 FCEDHN C=C(Cl)CNC[C@@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)C[C@H]1OCC ZINC001689067304 1294591097 /nfs/dbraw/zinc/59/10/97/1294591097.db2.gz YEMYPLSMFQKRKX-JHJVBQTASA-N 0 3 352.884 0.625 20 30 FCEDHN C#CCCCCC(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)NC(=O)NC ZINC001689087072 1294605545 /nfs/dbraw/zinc/60/55/45/1294605545.db2.gz ZSMJUYAHYWEYSZ-CABCVRRESA-N 0 3 350.463 0.852 20 30 FCEDHN C=CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1cn(C)nc1OC ZINC001689095378 1294614230 /nfs/dbraw/zinc/61/42/30/1294614230.db2.gz AADAUGQKZVYNIL-KGLIPLIRSA-N 0 3 363.462 0.561 20 30 FCEDHN COCC#CCN1CC[C@@H]2CN(C(=O)[C@H](OC)c3cnn(C)c3)C[C@@H]2C1 ZINC001689226179 1294683172 /nfs/dbraw/zinc/68/31/72/1294683172.db2.gz JOBKFTHTMAUNAD-BPQIPLTHSA-N 0 3 360.458 0.538 20 30 FCEDHN C#CCNC(=O)[C@@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)c1ccnnc1C ZINC001691827977 1294930822 /nfs/dbraw/zinc/93/08/22/1294930822.db2.gz WHXJAQJDOILTFF-BMFZPTHFSA-N 0 3 357.458 0.753 20 30 FCEDHN C#CCNC(=O)[C@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)c1cnc(C)n1C ZINC001691837559 1294935908 /nfs/dbraw/zinc/93/59/08/1294935908.db2.gz GZPHEHXLXMIIQA-YCPHGPKFSA-N 0 3 359.474 0.697 20 30 FCEDHN C#CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1cnn(CC)c1C ZINC001691848044 1294940918 /nfs/dbraw/zinc/94/09/18/1294940918.db2.gz QFGGLJRIECKGOF-ZBFHGGJFSA-N 0 3 359.474 0.791 20 30 FCEDHN C[C@H](CC(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)NCC#N)n1cccn1 ZINC001691850764 1294943089 /nfs/dbraw/zinc/94/30/89/1294943089.db2.gz DBGPXTZCPTWPKT-OAGGEKHMSA-N 0 3 360.462 0.691 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001065632933 837404649 /nfs/dbraw/zinc/40/46/49/837404649.db2.gz AKZHKSPERJQSKI-XHSDSOJGSA-N 0 3 353.463 0.261 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)[C@@H]2CCCCS2(=O)=O)C[C@@H]1n1ccnn1 ZINC001070207634 837634416 /nfs/dbraw/zinc/63/44/16/837634416.db2.gz GTVJQCNDBNAANT-ILXRZTDVSA-N 0 3 367.475 0.163 20 30 FCEDHN C=C(Cl)CN[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001070273799 837642564 /nfs/dbraw/zinc/64/25/64/837642564.db2.gz HNZIQIQBQPFUNL-KFWWJZLASA-N 0 3 352.870 0.856 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)[C@H]2CCCS(=O)(=O)C2)C[C@@H]1n1ccnn1 ZINC001070287241 837643564 /nfs/dbraw/zinc/64/35/64/837643564.db2.gz UKRVRWWKVOJTJR-ZNMIVQPWSA-N 0 3 367.475 0.021 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cnsn2)CC1 ZINC001070366619 837649707 /nfs/dbraw/zinc/64/97/07/837649707.db2.gz JNSFLGFLGCRXOA-CJNGLKHVSA-N 0 3 361.471 0.650 20 30 FCEDHN C=C(Cl)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CN=NC2=O)CC1 ZINC001071050472 837719321 /nfs/dbraw/zinc/71/93/21/837719321.db2.gz RGMUUGAJOOBOMD-HIFRSBDPSA-N 0 3 369.853 0.722 20 30 FCEDHN C=C(Br)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)C(N)=O)CC1 ZINC001071082307 837728202 /nfs/dbraw/zinc/72/82/02/837728202.db2.gz SYEKULIOIVWQDZ-NEPJUHHUSA-N 0 3 360.252 0.366 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)[C@H]2CN(C(C)=O)CCO2)C[C@H]1C(F)(F)F ZINC001099335912 844029927 /nfs/dbraw/zinc/02/99/27/844029927.db2.gz GBQBDYXNLGKPID-MGPQQGTHSA-N 0 3 363.380 0.789 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@H]1C(F)(F)F ZINC001099341783 844034681 /nfs/dbraw/zinc/03/46/81/844034681.db2.gz UGYCCZBVHPZTJS-GHMZBOCLSA-N 0 3 360.336 0.655 20 30 FCEDHN C[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1CNC(=O)CSCC#N ZINC001101735905 844239385 /nfs/dbraw/zinc/23/93/85/844239385.db2.gz DTFNLMJKDJGAGI-UKRRQHHQSA-N 0 3 352.504 0.796 20 30 FCEDHN C=CCOCC(=O)NC[C@@H]1CN(CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001101817412 844280219 /nfs/dbraw/zinc/28/02/19/844280219.db2.gz PRIIMJUPQGFFDV-GDBMZVCRSA-N 0 3 358.504 0.698 20 30 FCEDHN C[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001101890497 844310813 /nfs/dbraw/zinc/31/08/13/844310813.db2.gz CYFOQUFUYNQCQL-TZMCWYRMSA-N 0 3 367.475 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866535970 /nfs/dbraw/zinc/53/59/70/866535970.db2.gz UHNVDSYXTRJHDU-AWEZNQCLSA-N 0 3 350.444 0.437 20 30 FCEDHN CCN1CCN(C[C@H](C)CNC(=O)NCC2(C#N)CCOCC2)CC1 ZINC001350955597 866742489 /nfs/dbraw/zinc/74/24/89/866742489.db2.gz NTOWKAPCHGHMDP-MRXNPFEDSA-N 0 3 351.495 0.880 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 ZINC001311891275 867127935 /nfs/dbraw/zinc/12/79/35/867127935.db2.gz KIIPRGGYBRETSP-YOEHRIQHSA-N 0 3 366.487 0.607 20 30 FCEDHN C#CCN(C)CCCNC(=O)NCc1cc(S(C)(=O)=O)ccc1F ZINC001312577149 867174171 /nfs/dbraw/zinc/17/41/71/867174171.db2.gz CCYPUPNZXMCUTG-UHFFFAOYSA-N 0 3 355.435 0.984 20 30 FCEDHN C=CC[C@H](CC)NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC001328898622 871698680 /nfs/dbraw/zinc/69/86/80/871698680.db2.gz OOHFTEFZEJUFTH-LSDHHAIUSA-N 0 3 352.479 0.516 20 30 FCEDHN C#CCO[C@H](C)C(=O)N(C)C1CC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573285226 946771653 /nfs/dbraw/zinc/77/16/53/946771653.db2.gz FJPGSOPIVGUDCV-NVPAJSRCSA-N 0 3 368.441 0.984 20 30 FCEDHN C#CCO[C@H](C)C(=O)N(C)C1CC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573285226 946771662 /nfs/dbraw/zinc/77/16/62/946771662.db2.gz FJPGSOPIVGUDCV-NVPAJSRCSA-N 0 3 368.441 0.984 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573286225 946798673 /nfs/dbraw/zinc/79/86/73/946798673.db2.gz WPUKKNQYFPNJNS-HIFRSBDPSA-N 0 3 354.414 0.596 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573286225 946798677 /nfs/dbraw/zinc/79/86/77/946798677.db2.gz WPUKKNQYFPNJNS-HIFRSBDPSA-N 0 3 354.414 0.596 20 30 FCEDHN C[C@@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573568200 947068990 /nfs/dbraw/zinc/06/89/90/947068990.db2.gz ZDYJYXKNWPGIQW-DZGCQCFKSA-N 0 3 369.429 0.733 20 30 FCEDHN C=C(Cl)CNCC1(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCOCC1 ZINC001573299585 947095691 /nfs/dbraw/zinc/09/56/91/947095691.db2.gz UPLDTGQEZKLVRI-UHFFFAOYSA-N 0 3 365.825 0.816 20 30 FCEDHN C[C@H](C#N)C(=O)NC1(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC001573572120 947108059 /nfs/dbraw/zinc/10/80/59/947108059.db2.gz FJFLCEIDEUMFEQ-CYBMUJFWSA-N 0 3 369.429 0.781 20 30 FCEDHN C[C@@H](C#N)C(=O)NC1(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC001573574756 947133038 /nfs/dbraw/zinc/13/30/38/947133038.db2.gz UIVJVZNLLLFRAQ-ZDUSSCGKSA-N 0 3 369.429 0.781 20 30 FCEDHN C[C@@H](C#N)C(=O)NC1(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC001573574756 947133042 /nfs/dbraw/zinc/13/30/42/947133042.db2.gz UIVJVZNLLLFRAQ-ZDUSSCGKSA-N 0 3 369.429 0.781 20 30 FCEDHN C=CC(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001573304602 947141883 /nfs/dbraw/zinc/14/18/83/947141883.db2.gz CUQNFWOCTPHHGW-ZDUSSCGKSA-N 0 3 374.445 0.654 20 30 FCEDHN C=CC(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001573304602 947141893 /nfs/dbraw/zinc/14/18/93/947141893.db2.gz CUQNFWOCTPHHGW-ZDUSSCGKSA-N 0 3 374.445 0.654 20 30 FCEDHN C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C[C@H]1CO ZINC000297897306 214470136 /nfs/dbraw/zinc/47/01/36/214470136.db2.gz OWVIUKLZUGDRRR-QAPCUYQASA-N 0 3 372.469 0.535 20 30 FCEDHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1 ZINC000408458327 530056020 /nfs/dbraw/zinc/05/60/20/530056020.db2.gz FGDGCDOTBCIZQK-CQSZACIVSA-N 0 3 356.492 0.494 20 30 FCEDHN CCN1C[C@@H](C)N(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C[C@@H]1C ZINC000332410613 215146867 /nfs/dbraw/zinc/14/68/67/215146867.db2.gz QXLCUEWJYPHVQG-LSDHHAIUSA-N 0 3 374.489 0.918 20 30 FCEDHN N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCOC4(CNC4)C3)C2=O)cc1 ZINC000333611694 215302169 /nfs/dbraw/zinc/30/21/69/215302169.db2.gz QQCHSTXZCWZTCP-MRXNPFEDSA-N 0 3 369.425 0.437 20 30 FCEDHN COCCN1CCC(NC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)CC1 ZINC000285553538 213357558 /nfs/dbraw/zinc/35/75/58/213357558.db2.gz QTKYHEMFZIMMSJ-UHFFFAOYSA-N 0 3 358.442 0.744 20 30 FCEDHN C[C@H](CNC(=O)C(=O)NCc1cccc(C#N)c1)CN1CCN(C)CC1 ZINC000284092181 213072590 /nfs/dbraw/zinc/07/25/90/213072590.db2.gz BQMYDNMNQRTURD-OAHLLOKOSA-N 0 3 357.458 0.174 20 30 FCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC1CCOCC1 ZINC000284006108 213053164 /nfs/dbraw/zinc/05/31/64/213053164.db2.gz IPXHOVUUCRBPAX-UHFFFAOYSA-N 0 3 372.469 0.991 20 30 FCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](CO)[C@@H]3C)CC2)o1 ZINC000412074728 237159908 /nfs/dbraw/zinc/15/99/08/237159908.db2.gz ISMSYLULQOSSNE-ZFWWWQNUSA-N 0 3 361.446 0.596 20 30 FCEDHN N#Cc1ccc(N2CCN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC2)nc1 ZINC000369028776 216333945 /nfs/dbraw/zinc/33/39/45/216333945.db2.gz SMRYNYOMXJUBOD-DLBZAZTESA-N 0 3 370.457 0.648 20 30 FCEDHN N#Cc1ncccc1S(=O)(=O)NC1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000277229699 212341952 /nfs/dbraw/zinc/34/19/52/212341952.db2.gz SOZGWKSOAHTRQM-HZPDHXFCSA-N 0 3 364.471 0.999 20 30 FCEDHN CCN(CCO)CCNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C ZINC000183922488 209153652 /nfs/dbraw/zinc/15/36/52/209153652.db2.gz IDDUBEFIBGLRMI-UHFFFAOYSA-N 0 3 358.446 0.581 20 30 FCEDHN N#Cc1cccc([C@H]2CN(C(=O)C(=O)N3CCCC[C@H]3CN)CCO2)c1 ZINC000423617633 247077417 /nfs/dbraw/zinc/07/74/17/247077417.db2.gz GTIQQXHGEFMUSO-DLBZAZTESA-N 0 3 356.426 0.798 20 30 FCEDHN N#C[C@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CN)CCN1Cc1ccccc1 ZINC000423628808 247083776 /nfs/dbraw/zinc/08/37/76/247083776.db2.gz WSWHSKOAKPNMTH-ROUUACIJSA-N 0 3 369.469 0.563 20 30 FCEDHN N#CCCC[C@@H](N)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000424085337 247165802 /nfs/dbraw/zinc/16/58/02/247165802.db2.gz PKLPUYCURSLWCU-CYBMUJFWSA-N 0 3 358.851 0.756 20 30 FCEDHN N#CCCC[C@H](N)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000424103320 247167512 /nfs/dbraw/zinc/16/75/12/247167512.db2.gz DJPZQFSYCJGKOW-ZDUSSCGKSA-N 0 3 369.403 0.010 20 30 FCEDHN N#CCCC[C@@H](N)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000424112395 247169298 /nfs/dbraw/zinc/16/92/98/247169298.db2.gz JPQROXQJVBQDCD-CYBMUJFWSA-N 0 3 369.403 0.010 20 30 FCEDHN Cc1ccc(S(=O)(=O)NCCN(C)C(=O)[C@H](N)CCCC#N)cc1 ZINC000424123874 247169527 /nfs/dbraw/zinc/16/95/27/247169527.db2.gz KZGXLZTZVXNGIC-OAHLLOKOSA-N 0 3 352.460 0.753 20 30 FCEDHN CC(=O)N1CCN(c2ccccc2CNC(=O)[C@@H](N)CCCC#N)CC1 ZINC000424155188 247172989 /nfs/dbraw/zinc/17/29/89/247172989.db2.gz MJKYGIQGWDCJMB-KRWDZBQOSA-N 0 3 357.458 0.992 20 30 FCEDHN CC(C)(C)NC(=O)CN1CCC(CNC(=O)[C@@H](N)CCCC#N)CC1 ZINC000424156063 247173607 /nfs/dbraw/zinc/17/36/07/247173607.db2.gz OPKCPTLFCCOZTB-HNNXBMFYSA-N 0 3 351.495 0.750 20 30 FCEDHN N#CCCC[C@H](N)C(=O)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 ZINC000424185849 247177036 /nfs/dbraw/zinc/17/70/36/247177036.db2.gz GKCBIUHXLAIRMR-AWEZNQCLSA-N 0 3 354.414 0.868 20 30 FCEDHN N#CCCC[C@@H](N)C(=O)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 ZINC000424185850 247177164 /nfs/dbraw/zinc/17/71/64/247177164.db2.gz GKCBIUHXLAIRMR-CQSZACIVSA-N 0 3 354.414 0.868 20 30 FCEDHN Cn1cc([C@@H]2CN(C(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)C[C@H]2N)cn1 ZINC000424441814 247215164 /nfs/dbraw/zinc/21/51/64/247215164.db2.gz BBTIXQRIFSNOCR-DZGCQCFKSA-N 0 3 372.816 0.837 20 30 FCEDHN Cn1cc([C@@H]2CN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)C[C@H]2N)cn1 ZINC000424444769 247217852 /nfs/dbraw/zinc/21/78/52/247217852.db2.gz DODJWCSJYHVJAA-DZGCQCFKSA-N 0 3 356.361 0.323 20 30 FCEDHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H](C)c2cccc(C#N)c2)CC1=O ZINC000425309110 247321356 /nfs/dbraw/zinc/32/13/56/247321356.db2.gz CRMLFEQNTGCCAV-QAPCUYQASA-N 0 3 372.469 0.957 20 30 FCEDHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000439625171 248136094 /nfs/dbraw/zinc/13/60/94/248136094.db2.gz PUHJXLYLSWSSOU-UHFFFAOYSA-N 0 3 366.393 0.035 20 30 FCEDHN Cc1cc(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)ccc1C#N ZINC000443911631 248343955 /nfs/dbraw/zinc/34/39/55/248343955.db2.gz VNLMFLKVBLIVPZ-HNNXBMFYSA-N 0 3 364.471 0.732 20 30 FCEDHN CN1CCN(CCCNC(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 ZINC000270130592 211156302 /nfs/dbraw/zinc/15/63/02/211156302.db2.gz BIMOIXLLVWZNAO-UHFFFAOYSA-N 0 3 355.442 0.201 20 30 FCEDHN COCCC(=O)N1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000473218737 250209071 /nfs/dbraw/zinc/20/90/71/250209071.db2.gz AFKQFMULVPYDTK-KRWDZBQOSA-N 0 3 354.410 0.948 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H]2CCNC2=O)cc1 ZINC000480963870 250303069 /nfs/dbraw/zinc/30/30/69/250303069.db2.gz 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ZINC000266523053 210348494 /nfs/dbraw/zinc/34/84/94/210348494.db2.gz NVOYKOAOAAZNRG-UHFFFAOYSA-N 0 3 360.462 0.753 20 30 FCEDHN [NH2+]=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)N1CCSCC1 ZINC000262773621 229311159 /nfs/dbraw/zinc/31/11/59/229311159.db2.gz IMCVEWACIJCBDQ-UHFFFAOYSA-N 0 3 364.443 0.607 20 30 FCEDHN N#C[C@@H]1CN(S(=O)(=O)NC[C@@H]2CCCN2Cc2ccccc2)CCO1 ZINC000410154351 230063394 /nfs/dbraw/zinc/06/33/94/230063394.db2.gz MYNRNVBDLBKIBQ-DLBZAZTESA-N 0 3 364.471 0.710 20 30 FCEDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CNc1ccc(C#N)cn1 ZINC000497857955 484081877 /nfs/dbraw/zinc/08/18/77/484081877.db2.gz JNAGHTUDBIHNJA-OAHLLOKOSA-N 0 3 358.446 0.424 20 30 FCEDHN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H](C)CN(C)C ZINC000509809529 484425723 /nfs/dbraw/zinc/42/57/23/484425723.db2.gz NLYXYEQPZLSLES-LBPRGKRZSA-N 0 3 355.402 0.452 20 30 FCEDHN CCOC(=O)CON=C(C(=O)N1CC[C@H]2CCN(C)C[C@H]21)c1ccn[nH]1 ZINC000278652336 488886776 /nfs/dbraw/zinc/88/67/76/488886776.db2.gz NQMLRARTBYMRTB-NIVANCOJSA-N 0 3 363.418 0.246 20 30 FCEDHN CCOC(=O)CO/N=C(/C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)c1cc[nH]n1 ZINC000278851570 488900599 /nfs/dbraw/zinc/90/05/99/488900599.db2.gz WRLQWMJHJNOSMY-SWBBXWGISA-N 0 3 363.418 0.292 20 30 FCEDHN CCN(CCCNCCS(=O)(=O)c1ccc(C#N)cc1)S(C)(=O)=O ZINC000325296818 488909414 /nfs/dbraw/zinc/90/94/14/488909414.db2.gz YSCRGBGLYDTTTP-UHFFFAOYSA-N 0 3 373.500 0.593 20 30 FCEDHN COCCN1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000328815202 488940690 /nfs/dbraw/zinc/94/06/90/488940690.db2.gz OCVCUDHBAQVQMN-INIZCTEOSA-N 0 3 368.478 0.334 20 30 FCEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 ZINC000279448156 488942530 /nfs/dbraw/zinc/94/25/30/488942530.db2.gz BSQQGVOKUKENGJ-KRWDZBQOSA-N 0 3 365.437 0.663 20 30 FCEDHN CN1CC[C@@H]2OCCN(CC(=O)NCC(C)(C)N3CCOCC3)[C@H]2C1 ZINC000328993846 488958668 /nfs/dbraw/zinc/95/86/68/488958668.db2.gz DVYTYYULFDSQKT-HOTGVXAUSA-N 0 3 354.495 0.459 20 30 FCEDHN Cn1c2ncc(C(=O)C(C#N)c3nc4ccccc4[nH]3)cc2c(=O)n(C)c1=O ZINC000041494733 487829038 /nfs/dbraw/zinc/82/90/38/487829038.db2.gz RWHCCNIVDNUVHT-GFCCVEGCSA-N 0 3 374.360 0.999 20 30 FCEDHN Cn1cc(N2CC[C@@H](NC(=O)N3CCCC34CCN(C)CC4)C2=O)cn1 ZINC000329034460 488962371 /nfs/dbraw/zinc/96/23/71/488962371.db2.gz BXQYTSFSTDEEGD-OAHLLOKOSA-N 0 3 360.462 1.000 20 30 FCEDHN CN(C)CCN1CCC(NC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)CC1 ZINC000329048800 488963698 /nfs/dbraw/zinc/96/36/98/488963698.db2.gz QQSXHQHMUTWZDP-CABCVRRESA-N 0 3 352.483 0.229 20 30 FCEDHN Cn1nccc1[C@H]1[C@H](NC(=O)NC2CCN(C3CC3)CC2)CC(=O)N1C ZINC000329070737 488965986 /nfs/dbraw/zinc/96/59/86/488965986.db2.gz YQALPWZIQSRKLR-RHSMWYFYSA-N 0 3 360.462 0.822 20 30 FCEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CN(C)S(C)(=O)=O ZINC000065930582 488323193 /nfs/dbraw/zinc/32/31/93/488323193.db2.gz AJURMJHORFBQJE-UHFFFAOYSA-N 0 3 352.460 0.340 20 30 FCEDHN COCCN(C)CCNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000067421248 488350772 /nfs/dbraw/zinc/35/07/72/488350772.db2.gz NASGBUKNHUDZEL-UHFFFAOYSA-N 0 3 360.462 0.799 20 30 FCEDHN C=CCN1CCC(NC(=O)N2CCN(CC(=O)N(CC)CC)CC2)CC1 ZINC000074132546 488387615 /nfs/dbraw/zinc/38/76/15/488387615.db2.gz ZEYMMMRATOAWER-UHFFFAOYSA-N 0 3 365.522 0.832 20 30 FCEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@@H](CS(N)(=O)=O)C2)cc1 ZINC000074288310 488389865 /nfs/dbraw/zinc/38/98/65/488389865.db2.gz OUSDNRMDWSJNEI-CQSZACIVSA-N 0 3 350.444 0.887 20 30 FCEDHN CCN1CCN(CCC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 ZINC000268348389 488410175 /nfs/dbraw/zinc/41/01/75/488410175.db2.gz IDVQMPGOPNBHIX-INIZCTEOSA-N 0 3 371.489 0.413 20 30 FCEDHN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN(C)C1CC1 ZINC000268766002 488448525 /nfs/dbraw/zinc/44/85/25/488448525.db2.gz JMJNZVFCERJLDQ-GFCCVEGCSA-N 0 3 350.444 0.435 20 30 FCEDHN CN1CCC[C@@H](CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000569862819 491199542 /nfs/dbraw/zinc/19/95/42/491199542.db2.gz RCRIOIAXOKTEPU-AWEZNQCLSA-N 0 3 350.444 0.295 20 30 FCEDHN C[C@@H](O)c1cn(CC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)nn1 ZINC000268866129 488454240 /nfs/dbraw/zinc/45/42/40/488454240.db2.gz 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CN(C)CCN(C)C(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000298185720 489301457 /nfs/dbraw/zinc/30/14/57/489301457.db2.gz VVBLDRGEDADCEK-UHFFFAOYSA-N 0 3 358.442 0.948 20 30 FCEDHN C=CCN(CC=C)[C@H](CNC(=O)C1(S(C)(=O)=O)CCNCC1)C(C)C ZINC000285824919 489323368 /nfs/dbraw/zinc/32/33/68/489323368.db2.gz UEISIRWDNCRYIV-MRXNPFEDSA-N 0 3 371.547 0.968 20 30 FCEDHN C=CCNS(=O)(=O)c1cccc(C(=O)NCCCN(C)CCOC)c1 ZINC000298482115 489330162 /nfs/dbraw/zinc/33/01/62/489330162.db2.gz UEZGTVJMRMIRSV-UHFFFAOYSA-N 0 3 369.487 0.849 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](C)CN2CCCC2=O)CC1 ZINC000286073612 489353611 /nfs/dbraw/zinc/35/36/11/489353611.db2.gz MQUHKMWQLYMAFJ-CQSZACIVSA-N 0 3 350.463 0.270 20 30 FCEDHN C#Cc1cccc(NC(=O)CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000360977127 489361153 /nfs/dbraw/zinc/36/11/53/489361153.db2.gz KTRARGCWADAPAI-IAGOWNOFSA-N 0 3 356.426 0.769 20 30 FCEDHN CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000298809883 489368596 /nfs/dbraw/zinc/36/85/96/489368596.db2.gz SXITXBNFXOIMQL-CVEARBPZSA-N 0 3 371.441 0.486 20 30 FCEDHN N#Cc1ccc(CN2CCN(C(=O)[C@@H]3CN4CCN3CCC4)CC2)cc1 ZINC000362075022 489374198 /nfs/dbraw/zinc/37/41/98/489374198.db2.gz BWPUVIPXAJPPIH-IBGZPJMESA-N 0 3 353.470 0.592 20 30 FCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000299186778 489414936 /nfs/dbraw/zinc/41/49/36/489414936.db2.gz BZGRERNUMKQQCE-UHFFFAOYSA-N 0 3 354.414 0.492 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCc2ccc(NC(C)=O)nc2)CC1 ZINC000286702088 489419395 /nfs/dbraw/zinc/41/93/95/489419395.db2.gz PXQHYTLAZYYZSY-UHFFFAOYSA-N 0 3 373.457 0.813 20 30 FCEDHN CCN1CCC(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000299238870 489422618 /nfs/dbraw/zinc/42/26/18/489422618.db2.gz LXPIBJYSNQWRLP-UHFFFAOYSA-N 0 3 350.444 0.437 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(CCCO)Cc2ccccn2)CC1 ZINC000286750173 489424929 /nfs/dbraw/zinc/42/49/29/489424929.db2.gz SRSWDZGEKOOEBE-UHFFFAOYSA-N 0 3 374.485 0.949 20 30 FCEDHN C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)CN2CCC[C@H](C)C2)C1=O ZINC000299471469 489445344 /nfs/dbraw/zinc/44/53/44/489445344.db2.gz CAIJATGGFWMCED-QWHCGFSZSA-N 0 3 350.419 0.200 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)NC2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000287279829 489475001 /nfs/dbraw/zinc/47/50/01/489475001.db2.gz IRHQAFILVFDZFB-UHFFFAOYSA-N 0 3 363.462 0.847 20 30 FCEDHN C=CCN1CCC(NC(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)CC1 ZINC000363591472 489481721 /nfs/dbraw/zinc/48/17/21/489481721.db2.gz DASZPXURYQHGST-ACJLOTCBSA-N 0 3 363.462 0.657 20 30 FCEDHN N#Cc1ccc(OC[C@H](O)CN2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000371542673 489487692 /nfs/dbraw/zinc/48/76/92/489487692.db2.gz DZSPHKUNEXBGOY-MJGOQNOKSA-N 0 3 372.469 0.712 20 30 FCEDHN C=CCn1cc(CNC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)nn1 ZINC000425876129 489538091 /nfs/dbraw/zinc/53/80/91/489538091.db2.gz OAVMWYBSMOOJBG-IBGZPJMESA-N 0 3 370.457 0.900 20 30 FCEDHN C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCC1CCN(CCO)CC1 ZINC000425886715 489541183 /nfs/dbraw/zinc/54/11/83/489541183.db2.gz QJWVMWUCFVTPRV-OAHLLOKOSA-N 0 3 372.469 0.898 20 30 FCEDHN COCCN(C)CC[C@@H](NC(=O)Cn1cnc(C#N)n1)c1ccccc1 ZINC000426449523 489567455 /nfs/dbraw/zinc/56/74/55/489567455.db2.gz JJBQMVUVCGKIHT-MRXNPFEDSA-N 0 3 356.430 0.976 20 30 FCEDHN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1(N(C)C)CC1 ZINC000416305583 489581518 /nfs/dbraw/zinc/58/15/18/489581518.db2.gz BKZQQHZGWZRISS-LBPRGKRZSA-N 0 3 350.444 0.435 20 30 FCEDHN CN(C)CCNC(=O)C1CCN(C(=O)CNc2cccc(C#N)c2)CC1 ZINC000426769432 489582367 /nfs/dbraw/zinc/58/23/67/489582367.db2.gz IVEFOBDDXJPBKW-UHFFFAOYSA-N 0 3 357.458 0.887 20 30 FCEDHN Cc1ccc(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)cc1S(=O)(=O)NCC#N ZINC000456158269 489608358 /nfs/dbraw/zinc/60/83/58/489608358.db2.gz DKBWPGZTPJCXQE-CABCVRRESA-N 0 3 362.455 0.573 20 30 FCEDHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC[C@H](O)COc1ccc(C#N)cc1 ZINC000429704254 489698079 /nfs/dbraw/zinc/69/80/79/489698079.db2.gz PZJFUYACKCQQSC-USXIJHARSA-N 0 3 367.471 0.748 20 30 FCEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCC1CN(S(C)(=O)=O)C1)C(C)C ZINC000489482216 489712761 /nfs/dbraw/zinc/71/27/61/489712761.db2.gz PHDJLKCVAUPXMA-INIZCTEOSA-N 0 3 372.535 0.876 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000375908161 489727961 /nfs/dbraw/zinc/72/79/61/489727961.db2.gz VOCUIHCTYNPDKM-CVEARBPZSA-N 0 3 351.495 0.487 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000430387326 489734525 /nfs/dbraw/zinc/73/45/25/489734525.db2.gz UPPGPNCYJLKUNJ-ULQDDVLXSA-N 0 3 367.490 0.653 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000430400050 489735301 /nfs/dbraw/zinc/73/53/01/489735301.db2.gz HIBNQOCWWHRJLZ-IRXDYDNUSA-N 0 3 366.506 0.180 20 30 FCEDHN C=CCOc1ccccc1CNC(=O)C(=O)N1CC[C@H](OC)C[C@H]1CN ZINC000418943216 489798438 /nfs/dbraw/zinc/79/84/38/489798438.db2.gz ZDMPDQJCCAEIMS-HOTGVXAUSA-N 0 3 361.442 0.832 20 30 FCEDHN CCN(CC)C(=O)CCCNCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000571039498 491281826 /nfs/dbraw/zinc/28/18/26/491281826.db2.gz AYBHJKQVJUCGAI-UHFFFAOYSA-N 0 3 352.460 0.965 20 30 FCEDHN N#CC1(CS(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)CCCCC1 ZINC000475758411 489846958 /nfs/dbraw/zinc/84/69/58/489846958.db2.gz OFOXOTZIHBPPNW-OAHLLOKOSA-N 0 3 370.519 0.967 20 30 FCEDHN O=C(NCC#Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@@H]1CNCCO1 ZINC000419123212 489866824 /nfs/dbraw/zinc/86/68/24/489866824.db2.gz XSWNWEIDWUIIOG-AWEZNQCLSA-N 0 3 369.343 0.278 20 30 FCEDHN N#Cc1ccccc1N1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)CC1 ZINC000420091557 489909250 /nfs/dbraw/zinc/90/92/50/489909250.db2.gz UXCUMSRLBMXOAW-KRWDZBQOSA-N 0 3 369.469 0.841 20 30 FCEDHN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000377739581 489951011 /nfs/dbraw/zinc/95/10/11/489951011.db2.gz SCINOJRRUFEXAF-HNNXBMFYSA-N 0 3 362.455 0.533 20 30 FCEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NC1CCN(CCOC)CC1 ZINC000477628149 489979046 /nfs/dbraw/zinc/97/90/46/489979046.db2.gz SHXXMIZOJUPQNA-GOEBONIOSA-N 0 3 353.463 0.311 20 30 FCEDHN C=CCn1cc(CNC(=O)N2CCC(CN3CCN(C)CC3)CC2)nn1 ZINC000564207125 491294129 /nfs/dbraw/zinc/29/41/29/491294129.db2.gz PZILBOSBRVMBAC-UHFFFAOYSA-N 0 3 361.494 0.633 20 30 FCEDHN C[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)C1=CCN(C)CC1 ZINC000442327853 490059463 /nfs/dbraw/zinc/05/94/63/490059463.db2.gz CBSCVSQMHFEJPC-LBPRGKRZSA-N 0 3 358.446 1.215 20 30 FCEDHN CN(CCC#N)C[C@@H](O)CNCc1cc(F)ccc1N1CCOCC1 ZINC000571277824 491297338 /nfs/dbraw/zinc/29/73/38/491297338.db2.gz XCANMFJAMPXQJF-KRWDZBQOSA-N 0 3 350.438 0.958 20 30 FCEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H](NC(C)=O)C1)C(C)C ZINC000421739985 490103721 /nfs/dbraw/zinc/10/37/21/490103721.db2.gz GHHYOZKKDQMNAA-IAGOWNOFSA-N 0 3 364.490 0.538 20 30 FCEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCO[C@H]([C@H](C)O)C1)C(C)C ZINC000421741896 490104439 /nfs/dbraw/zinc/10/44/39/490104439.db2.gz QGSQBZNUGPMMRP-BBWFWOEESA-N 0 3 367.490 0.409 20 30 FCEDHN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422035263 490130128 /nfs/dbraw/zinc/13/01/28/490130128.db2.gz KXVAOLQARBWCPQ-HIFRSBDPSA-N 0 3 364.471 0.778 20 30 FCEDHN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422046525 490133240 /nfs/dbraw/zinc/13/32/40/490133240.db2.gz ZYEQXFALDDOPBS-ZFWWWQNUSA-N 0 3 364.471 0.778 20 30 FCEDHN N#CCc1ccc(OC[C@H](O)CNCCNC(=O)c2cccnc2)cc1 ZINC000571397004 491304750 /nfs/dbraw/zinc/30/47/50/491304750.db2.gz SRRKSRIDKDEJKL-QGZVFWFLSA-N 0 3 354.410 0.907 20 30 FCEDHN CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000520842919 490197611 /nfs/dbraw/zinc/19/76/11/490197611.db2.gz HJCMDDOUQZBJMJ-LBPRGKRZSA-N 0 3 350.444 0.670 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@]2(O)CCOC2)cc1 ZINC000483479042 490320952 /nfs/dbraw/zinc/32/09/52/490320952.db2.gz SFEZIXHCVDKMPT-ABAIWWIYSA-N 0 3 353.400 0.645 20 30 FCEDHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC(C)(C)CC#N)CC1 ZINC000422484417 490351293 /nfs/dbraw/zinc/35/12/93/490351293.db2.gz ZUIDFPLVIMJOGX-UHFFFAOYSA-N 0 3 365.478 0.055 20 30 FCEDHN CN1CCC[C@@H]1CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000522232144 490357925 /nfs/dbraw/zinc/35/79/25/490357925.db2.gz OMKVAVQNFAYICM-HZPDHXFCSA-N 0 3 369.425 0.974 20 30 FCEDHN C=CCN(CC=C)C(=O)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000422503545 490365027 /nfs/dbraw/zinc/36/50/27/490365027.db2.gz NLAWSJUOWCXVTA-UHFFFAOYSA-N 0 3 364.490 0.100 20 30 FCEDHN C[C@@H]1C[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCN1C ZINC000564691814 491321034 /nfs/dbraw/zinc/32/10/34/491321034.db2.gz VMWDPORLIIMGKS-TZMCWYRMSA-N 0 3 350.444 0.435 20 30 FCEDHN N#CCCCOc1cccnc1NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000564739294 491324049 /nfs/dbraw/zinc/32/40/49/491324049.db2.gz FVJDITAJOAMGAC-CHWSQXEVSA-N 0 3 358.402 0.540 20 30 FCEDHN N#CCCCOc1cccnc1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000564739295 491324097 /nfs/dbraw/zinc/32/40/97/491324097.db2.gz FVJDITAJOAMGAC-OLZOCXBDSA-N 0 3 358.402 0.540 20 30 FCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000422617536 490429137 /nfs/dbraw/zinc/42/91/37/490429137.db2.gz MWPTYCVXGSAEOG-IYARVYRRSA-N 0 3 372.469 0.868 20 30 FCEDHN C=CCN1C(=O)C(=O)N(CC(=O)N(CCN(C)C)C2CCCC2)C1=O ZINC000523663577 490482633 /nfs/dbraw/zinc/48/26/33/490482633.db2.gz KQVNYOOQUFLBQU-UHFFFAOYSA-N 0 3 350.419 0.296 20 30 FCEDHN CC[C@H](NC[C@H](O)COc1ccc(CC#N)cc1)C(=O)N1CCOCC1 ZINC000564849750 491331095 /nfs/dbraw/zinc/33/10/95/491331095.db2.gz MWSDFBJHUPKNGJ-WMZOPIPTSA-N 0 3 361.442 0.719 20 30 FCEDHN CC(C#N)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000510385249 490512783 /nfs/dbraw/zinc/51/27/83/490512783.db2.gz VFVKBMANUZJQKR-LLVKDONJSA-N 0 3 352.372 0.587 20 30 FCEDHN C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CCN1 ZINC000423071016 490535362 /nfs/dbraw/zinc/53/53/62/490535362.db2.gz DVEUFIAHRZKJIF-HNNXBMFYSA-N 0 3 357.458 0.269 20 30 FCEDHN N#C[C@@H]1CN(S(=O)(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000548772403 490540057 /nfs/dbraw/zinc/54/00/57/490540057.db2.gz VEGRJAJPVFGGAV-DLBZAZTESA-N 0 3 364.471 0.567 20 30 FCEDHN N#Cc1ccc(OC[C@@H](O)CNCCS(=O)(=O)NCC2CCC2)cc1 ZINC000514825230 490791122 /nfs/dbraw/zinc/79/11/22/490791122.db2.gz NXVUZJBSOSGGEG-INIZCTEOSA-N 0 3 367.471 0.607 20 30 FCEDHN O=C1c2ccccc2C(=O)N1CC#CCN1CCN(C[C@@H]2CCOC2)CC1 ZINC000528399249 490794015 /nfs/dbraw/zinc/79/40/15/490794015.db2.gz SBADCSWCERJTDI-KRWDZBQOSA-N 0 3 367.449 0.940 20 30 FCEDHN C[C@@H](O)CN1CCN(CC#CCN2C(=O)c3ccccc3C2=O)[C@H](C)C1 ZINC000528467217 490799594 /nfs/dbraw/zinc/79/95/94/490799594.db2.gz YIETZFWYDPDHCC-HZPDHXFCSA-N 0 3 355.438 0.673 20 30 FCEDHN CC(=O)NCC(=O)N1CCCN(CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000528735320 490825892 /nfs/dbraw/zinc/82/58/92/490825892.db2.gz SWGCDMIBCCSVTC-UHFFFAOYSA-N 0 3 371.441 0.557 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc(C(N)=O)c2OC)CC1 ZINC000541145848 490852647 /nfs/dbraw/zinc/85/26/47/490852647.db2.gz ALZPQIABEXVGPN-UHFFFAOYSA-N 0 3 360.414 0.499 20 30 FCEDHN Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCN(C)[C@H](C)C3)CC2)c1C#N ZINC000530513907 490909846 /nfs/dbraw/zinc/90/98/46/490909846.db2.gz HRLIWIQPKANIQL-HIFRSBDPSA-N 0 3 359.478 0.915 20 30 FCEDHN C=CCN(C[C@H](O)CN1CCOCC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000517528776 490910832 /nfs/dbraw/zinc/91/08/32/490910832.db2.gz HBMJYMUQVMJWDU-VQIMIIECSA-N 0 3 372.473 0.904 20 30 FCEDHN C=CCCc1ccccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000519639607 490980982 /nfs/dbraw/zinc/98/09/82/490980982.db2.gz AYABPKVWBIKQSM-GJZGRUSLSA-N 0 3 356.426 0.514 20 30 FCEDHN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](C)N1CCCC1 ZINC000532262023 490990140 /nfs/dbraw/zinc/99/01/40/490990140.db2.gz CXAUGQRTBFYJQX-ZIAGYGMSSA-N 0 3 364.471 0.826 20 30 FCEDHN CN(C)C(=O)[C@@H]1CC[C@H](CNC[C@@H](O)COc2ccc(CC#N)cc2)O1 ZINC000569568023 491169194 /nfs/dbraw/zinc/16/91/94/491169194.db2.gz ALKQAIYFYGHCDF-NXHRZFHOSA-N 0 3 361.442 0.718 20 30 FCEDHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CCN1C ZINC000554042271 491172580 /nfs/dbraw/zinc/17/25/80/491172580.db2.gz RRBWELKFRBDBES-GDBMZVCRSA-N 0 3 370.457 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491418452 /nfs/dbraw/zinc/41/84/52/491418452.db2.gz KGZGSTJIMVMJDC-LJQANCHMSA-N 0 3 373.501 0.521 20 30 FCEDHN CN(CCC#N)C[C@H](O)CN[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000573198911 491418469 /nfs/dbraw/zinc/41/84/69/491418469.db2.gz BXYORWBPKMTTIT-NCXUSEDFSA-N 0 3 356.470 0.939 20 30 FCEDHN C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C1=O ZINC000558442958 491431103 /nfs/dbraw/zinc/43/11/03/491431103.db2.gz UAPUHQJOAIFBOY-GJZGRUSLSA-N 0 3 364.490 0.468 20 30 FCEDHN CN1CC[C@@](O)(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000573657676 491446142 /nfs/dbraw/zinc/44/61/42/491446142.db2.gz LKGCGWGHIDPDSV-QFBILLFUSA-N 0 3 371.441 0.025 20 30 FCEDHN CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)[C@@H](CN)C1 ZINC000573806560 491456225 /nfs/dbraw/zinc/45/62/25/491456225.db2.gz KCWAXNNCCTZFKJ-NSHDSACASA-N 0 3 362.377 0.840 20 30 FCEDHN N#Cc1cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1Cl ZINC000566690560 491460895 /nfs/dbraw/zinc/46/08/95/491460895.db2.gz VEGDKZNRYUCJJJ-MFKMUULPSA-N 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/nfs/dbraw/zinc/64/23/32/491642332.db2.gz GASKPUSSRFRPRN-UHFFFAOYSA-N 0 3 350.444 0.391 20 30 FCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@]1(C)CCOC1 ZINC000562008588 491647420 /nfs/dbraw/zinc/64/74/20/491647420.db2.gz CYWFEYYTBKYZGO-HXUWFJFHSA-N 0 3 372.469 0.991 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCSCC2)cc1 ZINC000578447018 491677409 /nfs/dbraw/zinc/67/74/09/491677409.db2.gz NPXUNQSXCLUQRJ-NSHDSACASA-N 0 3 367.452 0.886 20 30 FCEDHN COCCCN(C)CCNC(=O)N1CCN(c2cnccc2C#N)CC1 ZINC000578950875 491687520 /nfs/dbraw/zinc/68/75/20/491687520.db2.gz SGFUOWJMGXJKMB-UHFFFAOYSA-N 0 3 360.462 0.753 20 30 FCEDHN N#Cc1ccc(CN2CCCN(C(=O)NC[C@@H]3CNCCO3)CC2)cc1 ZINC000579091192 491690694 /nfs/dbraw/zinc/69/06/94/491690694.db2.gz DKOPISFZCPTKRE-SFHVURJKSA-N 0 3 357.458 0.764 20 30 FCEDHN C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1)CN1CCN(C)CC1 ZINC000585736755 491724720 /nfs/dbraw/zinc/72/47/20/491724720.db2.gz DZHXNWYVWJKFSV-HOTGVXAUSA-N 0 3 371.485 0.735 20 30 FCEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000585777711 491726965 /nfs/dbraw/zinc/72/69/65/491726965.db2.gz LPZCGTWYGOUBLH-OWCLPIDISA-N 0 3 363.506 0.573 20 30 FCEDHN C=CCc1ccc(OC[C@H](O)CNC[C@H]2CN(C)CCN2C)c(OC)c1 ZINC000580435394 491731192 /nfs/dbraw/zinc/73/11/92/491731192.db2.gz XPLINXJEOMGLEG-ZWKOTPCHSA-N 0 3 363.502 0.999 20 30 FCEDHN N#Cc1cnn2cc(CNCCN3C(=O)NC4(CCCC4)C3=O)cnc12 ZINC000580445874 491731846 /nfs/dbraw/zinc/73/18/46/491731846.db2.gz JYSGGOOMKRQGRS-UHFFFAOYSA-N 0 3 353.386 0.555 20 30 FCEDHN C[C@@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)c1cccc(C#N)c1 ZINC000587675023 491735640 /nfs/dbraw/zinc/73/56/40/491735640.db2.gz SABDLRIAWCPNNB-OAHLLOKOSA-N 0 3 371.485 0.878 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC2(CO)COC2)cc1 ZINC000588291200 491743803 /nfs/dbraw/zinc/74/38/03/491743803.db2.gz RMMDVJFOSASLKZ-LLVKDONJSA-N 0 3 353.400 0.503 20 30 FCEDHN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](CO)CN1CCCC1 ZINC000588869999 491750803 /nfs/dbraw/zinc/75/08/03/491750803.db2.gz SAICWDCVQZGICL-INIZCTEOSA-N 0 3 370.457 0.723 20 30 FCEDHN N#Cc1ccc(S(=O)(=O)CCN2CCN(c3ccncc3)CC2)nc1 ZINC000588962061 491752730 /nfs/dbraw/zinc/75/27/30/491752730.db2.gz WVOWLYQKZXFCSN-UHFFFAOYSA-N 0 3 357.439 0.944 20 30 FCEDHN CNS(=O)(=O)c1cccc([C@H](C)NC[C@H](O)CN(C)CCC#N)c1 ZINC000581246244 491765570 /nfs/dbraw/zinc/76/55/70/491765570.db2.gz NAIZNKBRHSVVFM-ZFWWWQNUSA-N 0 3 354.476 0.452 20 30 FCEDHN C[C@@H](CN1CCCCC1)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000581281118 491767161 /nfs/dbraw/zinc/76/71/61/491767161.db2.gz NHTVTMSVUCCTBF-AWEZNQCLSA-N 0 3 364.471 0.827 20 30 FCEDHN COc1cc(C#N)ccc1OCC(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000590561533 491779382 /nfs/dbraw/zinc/77/93/82/491779382.db2.gz BBAZWGYLSUVEQP-UHFFFAOYSA-N 0 3 358.442 0.651 20 30 FCEDHN CN(CC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000581926152 491790389 /nfs/dbraw/zinc/79/03/89/491790389.db2.gz NEBIEKXUUUECMP-GOEBONIOSA-N 0 3 362.455 0.341 20 30 FCEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000581951479 491791588 /nfs/dbraw/zinc/79/15/88/491791588.db2.gz COQJWGGDEXJFEA-XIRDDKMYSA-N 0 3 360.458 0.937 20 30 FCEDHN CN(CCN(C)C1CC1)C(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 ZINC000582108201 491798296 /nfs/dbraw/zinc/79/82/96/491798296.db2.gz LRLBSJBHIFMQFF-UHFFFAOYSA-N 0 3 370.457 0.154 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@@H](CNC(C)=O)C2)CC1 ZINC000582139499 491799676 /nfs/dbraw/zinc/79/96/76/491799676.db2.gz NDHLREQNCQRKGH-INIZCTEOSA-N 0 3 364.490 0.518 20 30 FCEDHN CCCN1C[C@@H](CNCCS(=O)(=O)c2ccc(C#N)cn2)CC1=O ZINC000582355225 491808904 /nfs/dbraw/zinc/80/89/04/491808904.db2.gz BJDVQZDBFKGAHJ-CQSZACIVSA-N 0 3 350.444 0.575 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCCN2CCOCC2(C)C)CC1 ZINC000582503696 491815521 /nfs/dbraw/zinc/81/55/21/491815521.db2.gz SCKGDKBVEQRGOA-UHFFFAOYSA-N 0 3 366.506 0.370 20 30 FCEDHN CCN1CCC(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)CC1 ZINC000582799190 491827515 /nfs/dbraw/zinc/82/75/15/491827515.db2.gz 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/nfs/dbraw/zinc/90/83/24/491908324.db2.gz KUVMTFJRMCJTFJ-NSHDSACASA-N 0 3 368.235 0.711 20 30 FCEDHN CN(C)CCCS(=O)(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000601401636 491913694 /nfs/dbraw/zinc/91/36/94/491913694.db2.gz ALEUHXCYHXBDSP-MRXNPFEDSA-N 0 3 364.471 0.530 20 30 FCEDHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN(CCC#N)CC2)CC1 ZINC000601579489 491936206 /nfs/dbraw/zinc/93/62/06/491936206.db2.gz FKGCNSPIAGSCBT-QGZVFWFLSA-N 0 3 350.511 0.501 20 30 FCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@H](C)[C@@](C)(CO)C3)CC2)o1 ZINC000595871192 491958349 /nfs/dbraw/zinc/95/83/49/491958349.db2.gz ISUQXXPKHGWZJF-FZKQIMNGSA-N 0 3 361.446 0.454 20 30 FCEDHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000602081192 491960170 /nfs/dbraw/zinc/96/01/70/491960170.db2.gz URIYQJQEYGQROE-UHFFFAOYSA-N 0 3 373.457 0.753 20 30 FCEDHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(CCC#N)CC2)CC1=O ZINC000602208466 491968151 /nfs/dbraw/zinc/96/81/51/491968151.db2.gz OCGGGPQLPWTLDI-IRXDYDNUSA-N 0 3 361.490 0.377 20 30 FCEDHN 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ZINC001130129565 1201508735 /nfs/dbraw/zinc/50/87/35/1201508735.db2.gz OBYBHPXYTOIDEL-MJBXVCDLSA-N 0 3 358.402 0.217 20 30 FCEDHN COCC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC2CC2)[n-]1 ZINC001130175274 1201521329 /nfs/dbraw/zinc/52/13/29/1201521329.db2.gz GZXBKFGRXIWVIY-GJZGRUSLSA-N 0 3 361.446 0.333 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CC)OCC)[n-]1 ZINC001130190538 1201529168 /nfs/dbraw/zinc/52/91/68/1201529168.db2.gz DXSIJQMTNJDCPY-ZNMIVQPWSA-N 0 3 363.462 0.721 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCCOC)[n-]1 ZINC001130192978 1201530346 /nfs/dbraw/zinc/53/03/46/1201530346.db2.gz CYXLRMYCDJHZHX-GJZGRUSLSA-N 0 3 363.462 0.723 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)OCCCC)[n-]1 ZINC001130192998 1201530716 /nfs/dbraw/zinc/53/07/16/1201530716.db2.gz DNLUFSKTRXDEKK-ILXRZTDVSA-N 0 3 363.462 0.721 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCCOC2)[n-]1 ZINC001130193221 1201531385 /nfs/dbraw/zinc/53/13/85/1201531385.db2.gz NEWLNSNWXLXOKI-ILXRZTDVSA-N 0 3 361.446 0.333 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)[n-]1 ZINC001130198247 1201533483 /nfs/dbraw/zinc/53/34/83/1201533483.db2.gz BLMMQIGFDHKAGX-CEEVZKBLSA-N 0 3 357.458 0.952 20 30 FCEDHN COCC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC(C)C)[n-]1 ZINC001130183025 1201536069 /nfs/dbraw/zinc/53/60/69/1201536069.db2.gz MAESFUIDSJOQMM-GJZGRUSLSA-N 0 3 363.462 0.579 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(CC)n[nH]2)[n-]1 ZINC001130185088 1201538137 /nfs/dbraw/zinc/53/81/37/1201538137.db2.gz WMUKVWAWSBWROO-JSGCOSHPSA-N 0 3 357.418 0.116 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2coc(C)n2)[n-]1 ZINC001130204943 1201540452 /nfs/dbraw/zinc/54/04/52/1201540452.db2.gz NVLMJJVRFGKAKB-JSGCOSHPSA-N 0 3 358.402 0.517 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCOCC(F)F)[n-]1 ZINC001130209851 1201544122 /nfs/dbraw/zinc/54/41/22/1201544122.db2.gz NYRJVSHWDFDPFA-RYUDHWBXSA-N 0 3 371.388 0.188 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)n2cccc2)[n-]1 ZINC001130200800 1201548436 /nfs/dbraw/zinc/54/84/36/1201548436.db2.gz WZCQIDRQVCLFEZ-PMPSAXMXSA-N 0 3 370.457 0.969 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccn2CC=C)[n-]1 ZINC001130220744 1201550750 /nfs/dbraw/zinc/55/07/50/1201550750.db2.gz KIVZHLCPVUGGIT-HOCLYGCPSA-N 0 3 368.441 0.818 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(COC)CCC2)[n-]1 ZINC001130225068 1201553989 /nfs/dbraw/zinc/55/39/89/1201553989.db2.gz QWIHRSKJFLASJZ-KBPBESRZSA-N 0 3 361.446 0.333 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C3CC3)on2)[n-]1 ZINC001130224883 1201554608 /nfs/dbraw/zinc/55/46/08/1201554608.db2.gz HHXCPASRESKRRS-WFASDCNBSA-N 0 3 370.413 0.695 20 30 FCEDHN COCC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCF)[n-]1 ZINC001130229974 1201555978 /nfs/dbraw/zinc/55/59/78/1201555978.db2.gz KXRMEUYIRHNTQB-KBPBESRZSA-N 0 3 367.425 0.283 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CCC)OCC)[n-]1 ZINC001130230311 1201557510 /nfs/dbraw/zinc/55/75/10/1201557510.db2.gz RJGPDWMWGRSDHI-ZNMIVQPWSA-N 0 3 363.462 0.721 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#CC)[n-]1 ZINC001130237852 1201560200 /nfs/dbraw/zinc/56/02/00/1201560200.db2.gz GOZGKZAZIKLJMM-FZKCQIBNSA-N 0 3 373.457 0.497 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[n-]1 ZINC001130240294 1201561481 /nfs/dbraw/zinc/56/14/81/1201561481.db2.gz MHILWPBZRVQOMM-SEBNEYGDSA-N 0 3 359.430 0.084 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2nocc2C)[n-]1 ZINC001130244872 1201564723 /nfs/dbraw/zinc/56/47/23/1201564723.db2.gz OMVXMLYGCRUSPB-STQMWFEESA-N 0 3 358.402 0.517 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ncccn2)[n-]1 ZINC001130246785 1201567097 /nfs/dbraw/zinc/56/70/97/1201567097.db2.gz PIVDDGNGHSYBFT-STQMWFEESA-N 0 3 355.402 0.010 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)COc2ccccc2)[n-]1 ZINC001130251526 1201570555 /nfs/dbraw/zinc/57/05/55/1201570555.db2.gz ZDONMYGVUKIGAI-HOTGVXAUSA-N 0 3 369.425 0.595 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC2(O)CCC2)CC1 ZINC001130290821 1201578393 /nfs/dbraw/zinc/57/83/93/1201578393.db2.gz MHEXKKFHMBDCTD-APWZRJJASA-N 0 3 361.486 0.790 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](COC)OC)CC1 ZINC001130302189 1201580404 /nfs/dbraw/zinc/58/04/04/1201580404.db2.gz QHWROEHLBBYDCH-NUJGCVRESA-N 0 3 365.474 0.147 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(C)(C)NC(C)=O)CC1 ZINC001130305427 1201581673 /nfs/dbraw/zinc/58/16/73/1201581673.db2.gz ZSTJUDNXMAGFNN-WBVHZDCISA-N 0 3 364.490 0.563 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@H]2CCn3cncc3C2)C[C@H]1c1cn(C)cn1 ZINC001130621962 1202738551 /nfs/dbraw/zinc/73/85/51/1202738551.db2.gz JGBPZVIKAURPTA-VDZJLULYSA-N 0 3 366.469 0.787 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]cnc3C2)C[C@H]1c1cn(C)cn1 ZINC001130708332 1202763356 /nfs/dbraw/zinc/76/33/56/1202763356.db2.gz JQRAUANSWGCYNR-ZRGWGRIASA-N 0 3 366.469 0.856 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCc3nc[nH]c3C2)C[C@H]1c1cn(C)cn1 ZINC001130708332 1202763357 /nfs/dbraw/zinc/76/33/57/1202763357.db2.gz JQRAUANSWGCYNR-ZRGWGRIASA-N 0 3 366.469 0.856 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C)n(C)n3)n[n-]2)O1 ZINC001130759682 1202781036 /nfs/dbraw/zinc/78/10/36/1202781036.db2.gz FNHGFDMECKFDTC-GXTWGEPZSA-N 0 3 357.418 0.220 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cc(C)n(C)n3)n2)O1 ZINC001130759682 1202781039 /nfs/dbraw/zinc/78/10/39/1202781039.db2.gz FNHGFDMECKFDTC-GXTWGEPZSA-N 0 3 357.418 0.220 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C)n(C)n3)n[n-]2)O1 ZINC001130760059 1202782464 /nfs/dbraw/zinc/78/24/64/1202782464.db2.gz VYTYVMNCPREXLZ-DZGCQCFKSA-N 0 3 371.445 0.610 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cc(C)n(C)n3)n2)O1 ZINC001130760059 1202782469 /nfs/dbraw/zinc/78/24/69/1202782469.db2.gz VYTYVMNCPREXLZ-DZGCQCFKSA-N 0 3 371.445 0.610 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@](C)(O)C3CC3)n[n-]2)O1 ZINC001130774959 1202782773 /nfs/dbraw/zinc/78/27/73/1202782773.db2.gz GUOIZAYIFUWJPQ-PMUMKWKESA-N 0 3 361.446 0.415 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)C[C@@](C)(O)C3CC3)n2)O1 ZINC001130774959 1202782776 /nfs/dbraw/zinc/78/27/76/1202782776.db2.gz GUOIZAYIFUWJPQ-PMUMKWKESA-N 0 3 361.446 0.415 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](OCC)C3CC3)n[n-]2)O1 ZINC001130785017 1202788739 /nfs/dbraw/zinc/78/87/39/1202788739.db2.gz AUTSHPRLQQVZTN-SQWLQELKSA-N 0 3 361.446 0.679 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@H](OCC)C3CC3)n2)O1 ZINC001130785017 1202788743 /nfs/dbraw/zinc/78/87/43/1202788743.db2.gz AUTSHPRLQQVZTN-SQWLQELKSA-N 0 3 361.446 0.679 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cn(C)nc3C)n[n-]2)O1 ZINC001130790381 1202799633 /nfs/dbraw/zinc/79/96/33/1202799633.db2.gz XMXMARFNEPVTMG-LSDHHAIUSA-N 0 3 371.445 0.148 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)Cc3cn(C)nc3C)n2)O1 ZINC001130790381 1202799634 /nfs/dbraw/zinc/79/96/34/1202799634.db2.gz XMXMARFNEPVTMG-LSDHHAIUSA-N 0 3 371.445 0.148 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3c[nH]nc3CCC)n[n-]2)O1 ZINC001130792483 1202800276 /nfs/dbraw/zinc/80/02/76/1202800276.db2.gz GVTMNLKBCWVOFX-SWLSCSKDSA-N 0 3 371.445 0.853 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3c[nH]nc3CCC)n2)O1 ZINC001130792483 1202800277 /nfs/dbraw/zinc/80/02/77/1202800277.db2.gz GVTMNLKBCWVOFX-SWLSCSKDSA-N 0 3 371.445 0.853 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CCO[C@H]3C=C)n[n-]2)O1 ZINC001130807451 1202801610 /nfs/dbraw/zinc/80/16/10/1202801610.db2.gz XYLYNVQLIWTEJP-LJISPDSOSA-N 0 3 359.430 0.455 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@@H]3CCO[C@H]3C=C)n2)O1 ZINC001130807451 1202801612 /nfs/dbraw/zinc/80/16/12/1202801612.db2.gz XYLYNVQLIWTEJP-LJISPDSOSA-N 0 3 359.430 0.455 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)CCCOC)n[n-]2)O1 ZINC001130816439 1202807178 /nfs/dbraw/zinc/80/71/78/1202807178.db2.gz WYVXOGQITFJEIA-SOUVJXGZSA-N 0 3 363.462 0.927 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@@H](C)CCCOC)n2)O1 ZINC001130816439 1202807179 /nfs/dbraw/zinc/80/71/79/1202807179.db2.gz WYVXOGQITFJEIA-SOUVJXGZSA-N 0 3 363.462 0.927 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H](NCc2cccnc2)C1 ZINC001130991622 1202838119 /nfs/dbraw/zinc/83/81/19/1202838119.db2.gz UOISINKQEBVBCF-KBAYOESNSA-N 0 3 367.453 0.938 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)CNC(=O)c2ccoc2C)C[C@H]1c1cncn1C ZINC001131002027 1202841022 /nfs/dbraw/zinc/84/10/22/1202841022.db2.gz XVTKEZQLXHMREE-HZPDHXFCSA-N 0 3 369.425 0.269 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC)C2)C[C@H]1c1cncn1C ZINC001131006096 1202841629 /nfs/dbraw/zinc/84/16/29/1202841629.db2.gz KYWLVYDTRORWFP-BZUAXINKSA-N 0 3 357.458 0.196 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)CCCNC(=O)C2CC2)C[C@H]1c1cncn1C ZINC001131006091 1202841668 /nfs/dbraw/zinc/84/16/68/1202841668.db2.gz KWXVUKROVYJUIV-IAGOWNOFSA-N 0 3 371.485 0.634 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)CCOC[C@@H]2CCCO2)C[C@H]1c1cncn1C ZINC001131022824 1202847230 /nfs/dbraw/zinc/84/72/30/1202847230.db2.gz IFZHCURXISFANI-GVDBMIGSSA-N 0 3 360.458 0.523 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2ccn(CCOC)n2)C[C@H]1c1cncn1C ZINC001131028995 1202849090 /nfs/dbraw/zinc/84/90/90/1202849090.db2.gz VJTKUPABMUKUNZ-NVXWUHKLSA-N 0 3 370.457 0.484 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H](OC)c2cnn(C)c2)C[C@H]1c1cncn1C ZINC001131040113 1202850046 /nfs/dbraw/zinc/85/00/46/1202850046.db2.gz MEIRGGLVRIMYNF-NUJGCVRESA-N 0 3 370.457 0.449 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2nnn(CC)c2CC)C[C@H]1c1cncn1C ZINC001131070406 1202856297 /nfs/dbraw/zinc/85/62/97/1202856297.db2.gz ULCDWYHQTFZOQH-HUUCEWRRSA-N 0 3 369.473 0.815 20 30 FCEDHN 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20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2cncc2C1 ZINC001227127808 1225864266 /nfs/dbraw/zinc/86/42/66/1225864266.db2.gz MFUCAEVEMJZWNK-USXIJHARSA-N 0 3 357.458 0.212 20 30 FCEDHN CC(C)C#CC(=O)NC1CCN(CCNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001055595217 1219093792 /nfs/dbraw/zinc/09/37/92/1219093792.db2.gz RBLXDZVNWIASMA-IAGOWNOFSA-N 0 3 371.485 0.869 20 30 FCEDHN CCc1nnc(C)cc1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N ZINC001227141754 1225864323 /nfs/dbraw/zinc/86/43/23/1225864323.db2.gz FPHRKFKPNVIKER-HZPDHXFCSA-N 0 3 358.446 0.618 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2cncc2C1 ZINC001227128779 1225864409 /nfs/dbraw/zinc/86/44/09/1225864409.db2.gz ZBYWQPIWHFGLLE-NUEKZKHPSA-N 0 3 358.446 0.102 20 30 FCEDHN CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804061847 1219116458 /nfs/dbraw/zinc/11/64/58/1219116458.db2.gz WWJRCEGXYSODNV-SJORKVTESA-N 0 3 356.426 0.496 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccc(=O)n(CC)n2)[C@@H](n2ccnn2)C1 ZINC001070062957 1219125839 /nfs/dbraw/zinc/12/58/39/1219125839.db2.gz MCZXHSIWIQREFH-CVEARBPZSA-N 0 3 371.445 0.476 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ncnc2[nH]ccc21 ZINC001227293957 1225869968 /nfs/dbraw/zinc/86/99/68/1225869968.db2.gz CWMARDSRJSZAHR-ZIAGYGMSSA-N 0 3 354.414 0.290 20 30 FCEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]2n2ccnn2)nc1 ZINC001070078482 1219147010 /nfs/dbraw/zinc/14/70/10/1219147010.db2.gz AHQCQQOFNCGZOI-JQHSSLGASA-N 0 3 366.425 0.346 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cnn3cc[nH]c23)[C@@H](n2ccnn2)C1 ZINC001070084747 1219153273 /nfs/dbraw/zinc/15/32/73/1219153273.db2.gz SNNHZBCTNCKRHB-CABCVRRESA-N 0 3 354.418 0.875 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H]2CCC(=O)N(C)C2)[C@@H](n2ccnn2)C1 ZINC001070103861 1219179208 /nfs/dbraw/zinc/17/92/08/1219179208.db2.gz OJSKWKFIEOJJNO-OAGGEKHMSA-N 0 3 360.462 0.454 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccn(C3CCOCC3)n2)C[C@@H]1n1ccnn1 ZINC001070194771 1219286677 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BBCBZODJNJXGQP-XYPHTWIQSA-N 0 3 353.430 0.089 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C[C@@H]1n1ccnn1 ZINC001070221993 1219303086 /nfs/dbraw/zinc/30/30/86/1219303086.db2.gz BBCBZODJNJXGQP-XYPHTWIQSA-N 0 3 353.430 0.089 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cn2cnc3c2CCCC3)C[C@@H]1n1ccnn1 ZINC001070234774 1219310220 /nfs/dbraw/zinc/31/02/20/1219310220.db2.gz HCWYDDZVBKAVDJ-WBVHZDCISA-N 0 3 355.446 0.581 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1occ2c1CCOC2 ZINC001227734236 1225883293 /nfs/dbraw/zinc/88/32/93/1225883293.db2.gz KVEQADSKEKEZLA-HZPDHXFCSA-N 0 3 359.426 0.732 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cn2nc(C)c3cccnc32)C[C@@H]1n1ccnn1 ZINC001070241684 1219313646 /nfs/dbraw/zinc/31/36/46/1219313646.db2.gz UCGSFOZCICLPTF-CVEARBPZSA-N 0 3 366.429 0.559 20 30 FCEDHN Cc1cc(C)n(CCC(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)n1 ZINC001227830276 1225887315 /nfs/dbraw/zinc/88/73/15/1225887315.db2.gz ISXIBEQUDPZPCZ-HZPDHXFCSA-N 0 3 360.462 0.547 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2CCCN(CC(F)F)C2)C[C@@H]1n1ccnn1 ZINC001070260465 1219330333 /nfs/dbraw/zinc/33/03/33/1219330333.db2.gz KVZFYNCXBFEAFD-ZNMIVQPWSA-N 0 3 368.432 0.783 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cn3nccc3nc2C)C[C@@H]1n1ccnn1 ZINC001070303929 1219362694 /nfs/dbraw/zinc/36/26/94/1219362694.db2.gz APQNWFUGZNXYGA-CABCVRRESA-N 0 3 352.402 0.471 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc(-c3nc[nH]n3)cc2)C[C@@H]1n1ccnn1 ZINC001070306712 1219364758 /nfs/dbraw/zinc/36/47/58/1219364758.db2.gz RVPAZXOCKYUQCO-CVEARBPZSA-N 0 3 364.413 0.905 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc(C(=O)N(C)C)cc2)C[C@@H]1n1ccnn1 ZINC001070312352 1219369492 /nfs/dbraw/zinc/36/94/92/1219369492.db2.gz NORHVUPZQCVUSC-SJORKVTESA-N 0 3 368.441 0.821 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cccc(-n3cnnn3)c2)C[C@@H]1n1ccnn1 ZINC001070325375 1219375754 /nfs/dbraw/zinc/37/57/54/1219375754.db2.gz GTUYOJJBXZITHL-CVEARBPZSA-N 0 3 365.401 0.095 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cc2ccc(C(N)=O)cc2)C[C@@H]1n1ccnn1 ZINC001070336006 1219384351 /nfs/dbraw/zinc/38/43/51/1219384351.db2.gz NBVRKYPTIKUXLD-CVEARBPZSA-N 0 3 354.414 0.147 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cccc3nnn(C)c32)C[C@@H]1n1ccnn1 ZINC001070340591 1219388149 /nfs/dbraw/zinc/38/81/49/1219388149.db2.gz YSLPIOFEGHJTNA-CABCVRRESA-N 0 3 352.402 0.401 20 30 FCEDHN CC#CC[N@H+]1C[C@@H](c2nnc(CNC(=O)[C@]34C[C@H]3COC4)[n-]2)[C@H](C2CC2)C1 ZINC001070352067 1219388211 /nfs/dbraw/zinc/38/82/11/1219388211.db2.gz BQGIIOPDPDIWGJ-MFCZKXCZSA-N 0 3 369.469 0.906 20 30 FCEDHN CC#CC[N@@H+]1C[C@@H](c2nnc(CNC(=O)[C@]34C[C@H]3COC4)[n-]2)[C@H](C2CC2)C1 ZINC001070352067 1219388217 /nfs/dbraw/zinc/38/82/17/1219388217.db2.gz BQGIIOPDPDIWGJ-MFCZKXCZSA-N 0 3 369.469 0.906 20 30 FCEDHN C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N ZINC001227856736 1225888612 /nfs/dbraw/zinc/88/86/12/1225888612.db2.gz XBDYYDAZAHESGU-BFHYXJOUSA-N 0 3 365.478 0.194 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cc2ccon2)CC1 ZINC001070367228 1219398528 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FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1nonc1C ZINC001230355791 1226077726 /nfs/dbraw/zinc/07/77/26/1226077726.db2.gz WENCMSRCFYQAIW-VXGBXAGGSA-N 0 3 364.406 0.020 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnn(C)c1C1CC1 ZINC001230355365 1226078067 /nfs/dbraw/zinc/07/80/67/1226078067.db2.gz LBPGPDCLPNCHCS-HZPDHXFCSA-N 0 3 357.458 0.678 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCc1cncc(F)c1 ZINC001230382403 1226079814 /nfs/dbraw/zinc/07/98/14/1226079814.db2.gz GABPLKAXTLMATO-HZPDHXFCSA-N 0 3 361.421 0.810 20 30 FCEDHN Cc1cccc2c1O[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N)C2 ZINC001230394022 1226080525 /nfs/dbraw/zinc/08/05/25/1226080525.db2.gz XWDKHCBNKDQTDJ-BRWVUGGUSA-N 0 3 370.453 0.955 20 30 FCEDHN C=CCn1c([C@@H]2CC(=O)N(C)C2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001121283794 1222160578 /nfs/dbraw/zinc/16/05/78/1222160578.db2.gz RQHDWHFFBFJEDO-HZPDHXFCSA-N 0 3 374.489 0.568 20 30 FCEDHN C=CCN1CCC(NC(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001123502858 1222336545 /nfs/dbraw/zinc/33/65/45/1222336545.db2.gz FDEXBZUQYVTWKR-UHFFFAOYSA-N 0 3 368.478 0.918 20 30 FCEDHN C#CCOc1cccc(NC(=O)C(=O)NC[C@H]2CCCN2CCCO)c1 ZINC000835476630 1222602897 /nfs/dbraw/zinc/60/28/97/1222602897.db2.gz GFZOFMWEYPAPJO-MRXNPFEDSA-N 0 3 359.426 0.600 20 30 FCEDHN CN(C)C(=O)CN1CC[C@@]2(CCCN(Cc3cc(C#N)ccn3)C2)C1=O ZINC001232474790 1226153572 /nfs/dbraw/zinc/15/35/72/1226153572.db2.gz BWVMDQIDQBRUJO-LJQANCHMSA-N 0 3 355.442 0.856 20 30 FCEDHN C#CCN1C[C@@]2(CCN(C[C@H](O)COc3ccccc3C)C2)OCC1=O ZINC001277711611 1226166826 /nfs/dbraw/zinc/16/68/26/1226166826.db2.gz KPVCXUVHRNJDHR-PXNSSMCTSA-N 0 3 358.438 0.671 20 30 FCEDHN C#CCOC[C@H](O)CN1CCC[C@@]12CCN(CCCn1cccc1)C2=O ZINC001277711332 1226166877 /nfs/dbraw/zinc/16/68/77/1226166877.db2.gz HRWPUVBJRCWXEH-QUCCMNQESA-N 0 3 359.470 0.956 20 30 FCEDHN C#CCOC[C@H](O)CN1CCOC[C@]2(CC(=O)N(CC3CCCC3)C2)C1 ZINC001277711867 1226168091 /nfs/dbraw/zinc/16/80/91/1226168091.db2.gz LNUYXIYYAMKFGC-UYAOXDASSA-N 0 3 364.486 0.738 20 30 FCEDHN Cc1ncc(CN)c(=N)n1-c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001156830951 1223062035 /nfs/dbraw/zinc/06/20/35/1223062035.db2.gz IAVWMDJRYQSDSZ-LBPRGKRZSA-N 0 3 355.402 0.858 20 30 FCEDHN Cc1ncc(CN)c(=N)n1-c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001156830950 1223062480 /nfs/dbraw/zinc/06/24/80/1223062480.db2.gz IAVWMDJRYQSDSZ-GFCCVEGCSA-N 0 3 355.402 0.858 20 30 FCEDHN Cn1c(=O)cc(Nc2nccnc2C(C#N)C(=O)OC(C)(C)C)[nH]c1=O ZINC001159011903 1223115034 /nfs/dbraw/zinc/11/50/34/1223115034.db2.gz FQQDKFVPBUEOBS-SECBINFHSA-N 0 3 358.358 0.968 20 30 FCEDHN C#C[C@](C)(N)C(=O)N(c1nc(N2CCCC2)nc2c1CNCC2)C1CC1 ZINC001159583265 1223129624 /nfs/dbraw/zinc/12/96/24/1223129624.db2.gz PLHFRUHTWUBUTM-IBGZPJMESA-N 0 3 354.458 0.569 20 30 FCEDHN N#Cc1ccc(CC2CCN(C(=O)[C@@H]3COC4(CNC4)CN3)CC2)cc1 ZINC001160566596 1223164746 /nfs/dbraw/zinc/16/47/46/1223164746.db2.gz STBJZMPPAATXJE-SFHVURJKSA-N 0 3 354.454 0.670 20 30 FCEDHN C#CCNC(=O)CNCCN(CCc1ccccc1)C(=O)[C@]12C[C@H]1COC2 ZINC001162817041 1223220183 /nfs/dbraw/zinc/22/01/83/1223220183.db2.gz MWNGPVXKZRIQQE-RXVVDRJESA-N 0 3 369.465 0.433 20 30 FCEDHN C[C@H]1CCN(CC(=O)N(Cc2ccccc2)[C@@H]2CN(CC#N)C[C@H]2O)C1 ZINC001205188277 1223315744 /nfs/dbraw/zinc/31/57/44/1223315744.db2.gz GCRVAHCSOVUUTC-QXAKKESOSA-N 0 3 356.470 0.926 20 30 FCEDHN COCC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](NCC(=O)NCC#N)C1 ZINC001205232466 1223318701 /nfs/dbraw/zinc/31/87/01/1223318701.db2.gz FEENURCOFDJSGG-JKSUJKDBSA-N 0 3 362.405 0.386 20 30 FCEDHN C#CCN1CCC2(CN(C(=O)CNC(=O)[C@@H](C)CC)[C@@H]3COC[C@@H]32)CC1 ZINC001205519237 1223330254 /nfs/dbraw/zinc/33/02/54/1223330254.db2.gz BCMBDCVDPKVTFJ-YESZJQIVSA-N 0 3 361.486 0.721 20 30 FCEDHN C=CCn1cccc1C(=O)N[C@@H]1CN(CCOCCNC(C)=O)C[C@H]1C ZINC001207553915 1223456269 /nfs/dbraw/zinc/45/62/69/1223456269.db2.gz PIJHXDKONDWDKV-NVXWUHKLSA-N 0 3 362.474 0.877 20 30 FCEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)C1 ZINC001207874249 1223488847 /nfs/dbraw/zinc/48/88/47/1223488847.db2.gz DCAOOONABRGURG-IUODEOHRSA-N 0 3 360.414 0.665 20 30 FCEDHN C#CCCCCCC(=O)N[C@@H]1CN(C[C@H](O)CN2CCCC2=O)C[C@H]1C ZINC001208315137 1223533227 /nfs/dbraw/zinc/53/32/27/1223533227.db2.gz LZFNNCFLAJFDNK-FGTMMUONSA-N 0 3 363.502 0.990 20 30 FCEDHN C=CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001208530120 1223553424 /nfs/dbraw/zinc/55/34/24/1223553424.db2.gz GMQJKOOEZDKRLY-IIAWOOMASA-N 0 3 367.494 0.021 20 30 FCEDHN C=CCNC(=O)CN1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001208597883 1223561705 /nfs/dbraw/zinc/56/17/05/1223561705.db2.gz SYNQZZORCXFLBW-SPYBWZPUSA-N 0 3 368.497 0.938 20 30 FCEDHN N#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2OCC[C@@H]2c2ccccc2)C1 ZINC001210061018 1223664586 /nfs/dbraw/zinc/66/45/86/1223664586.db2.gz MNPVBCKQZMUBGV-YQVWRLOYSA-N 0 3 370.453 0.779 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2OCC[C@@H]2c2ccccc2)C1 ZINC001210070120 1223664944 /nfs/dbraw/zinc/66/49/44/1223664944.db2.gz KQQDEWVIPQRONP-QWFCFKBJSA-N 0 3 369.465 0.889 20 30 FCEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC001210842962 1223709092 /nfs/dbraw/zinc/70/90/92/1223709092.db2.gz FUVJTEGTRIAXNG-RHSMWYFYSA-N 0 3 356.430 0.915 20 30 FCEDHN COCC#CCN1C[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H](OC)C1 ZINC001213441627 1223799647 /nfs/dbraw/zinc/79/96/47/1223799647.db2.gz BZMCHKMQCNIHNY-GPMSIDNRSA-N 0 3 369.481 0.664 20 30 FCEDHN C=CCCCCCN1C[C@@H](NC(=O)COCc2nncn2C)[C@H](OC)C1 ZINC001213652517 1223828196 /nfs/dbraw/zinc/82/81/96/1223828196.db2.gz ZPURZBAKEPXVQK-HZPDHXFCSA-N 0 3 365.478 0.894 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cccnc2)C[C@H]1C ZINC001214053884 1223887904 /nfs/dbraw/zinc/88/79/04/1223887904.db2.gz DOJNJXZQFFTUDR-UMVBOHGHSA-N 0 3 359.430 0.532 20 30 FCEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1C ZINC001214091772 1223889666 /nfs/dbraw/zinc/88/96/66/1223889666.db2.gz GIMOHILHOXQQCV-UKRRQHHQSA-N 0 3 359.430 0.433 20 30 FCEDHN CCc1cc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N(CC)CCC#N)C2)[nH]n1 ZINC001214181281 1223894708 /nfs/dbraw/zinc/89/47/08/1223894708.db2.gz LNGMTAQBPSMZLO-CZUORRHYSA-N 0 3 360.462 0.784 20 30 FCEDHN CCCC(=O)NCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N(CC)CCC#N)C1 ZINC001214251040 1223898498 /nfs/dbraw/zinc/89/84/98/1223898498.db2.gz MDLFMHKKEQYCTK-HUUCEWRRSA-N 0 3 365.478 0.101 20 30 FCEDHN C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NCc2ccccc2)C1 ZINC001214337960 1223901954 /nfs/dbraw/zinc/90/19/54/1223901954.db2.gz HBJCBKZUPJSRBZ-SQWLQELKSA-N 0 3 371.441 0.609 20 30 FCEDHN Cc1cc(NC(=O)CN[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C)n(C)n1 ZINC001214450066 1223910919 /nfs/dbraw/zinc/91/09/19/1223910919.db2.gz GAKHLUONMMYOER-IAQYHMDHSA-N 0 3 369.429 0.617 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)c2cc(OC)no2)C[C@H]1C ZINC001214466682 1223911758 /nfs/dbraw/zinc/91/17/58/1223911758.db2.gz WKZBDFLYERZKOO-CHWSQXEVSA-N 0 3 363.418 0.495 20 30 FCEDHN C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NCC(=O)NC1CCOCC1 ZINC001214463916 1223912000 /nfs/dbraw/zinc/91/20/00/1223912000.db2.gz HLTQJBCAAQXBJP-MLGOLLRUSA-N 0 3 359.430 0.232 20 30 FCEDHN C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C(C)C)C(C)C)C1 ZINC001214472515 1223912402 /nfs/dbraw/zinc/91/24/02/1223912402.db2.gz SRKFIMRBKZEVPO-HZPDHXFCSA-N 0 3 364.490 0.208 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2coc(CC)n2)C[C@H]1C ZINC001214472212 1223912607 /nfs/dbraw/zinc/91/26/07/1223912607.db2.gz KBFYCAQHPNUNPG-VXGBXAGGSA-N 0 3 363.418 0.299 20 30 FCEDHN C=C[C@](C)(O)CC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCc2cccnc2)C1 ZINC001214520522 1223917917 /nfs/dbraw/zinc/91/79/17/1223917917.db2.gz KOWPJCHMOJEYGG-OGWOLHLISA-N 0 3 360.458 0.461 20 30 FCEDHN C#CCCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC(=O)NC(C)(C)C)C1 ZINC001214529375 1223918829 /nfs/dbraw/zinc/91/88/29/1223918829.db2.gz WAEULWFGJKJMQX-HUUCEWRRSA-N 0 3 364.490 0.257 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2[nH]ccc2C)C[C@H]1C ZINC001214543906 1223919835 /nfs/dbraw/zinc/91/98/35/1223919835.db2.gz SLWQCGIMWWJRPD-MGPQQGTHSA-N 0 3 361.446 0.774 20 30 FCEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)Cc2nnc(C)o2)C[C@H]1C ZINC001214555562 1223921088 /nfs/dbraw/zinc/92/10/88/1223921088.db2.gz LWGGMCDODJPKSC-UKRRQHHQSA-N 0 3 361.446 0.558 20 30 FCEDHN CC(C)C#CC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCOC[C@@H]2C2CC2)C1 ZINC001214584167 1223923150 /nfs/dbraw/zinc/92/31/50/1223923150.db2.gz PVXSGAYSLYESHO-KBAYOESNSA-N 0 3 361.486 0.720 20 30 FCEDHN C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NCC(=O)N(C)Cc1cnn(C)c1 ZINC001214580464 1223923275 /nfs/dbraw/zinc/92/32/75/1223923275.db2.gz YTTLPBJPQYXSDY-RHSMWYFYSA-N 0 3 357.458 0.228 20 30 FCEDHN C#CCOCCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NCc2ccco2)C1 ZINC001214595041 1223924185 /nfs/dbraw/zinc/92/41/85/1223924185.db2.gz BYLLRSRLSMBGKO-BFYDXBDKSA-N 0 3 361.442 0.761 20 30 FCEDHN Cc1nn(C(C)(C)C)cc1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1 ZINC001214606437 1223925238 /nfs/dbraw/zinc/92/52/38/1223925238.db2.gz GNKNTMCSFBRATE-IUODEOHRSA-N 0 3 360.462 0.636 20 30 FCEDHN 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ZINC001214683659 1223931881 /nfs/dbraw/zinc/93/18/81/1223931881.db2.gz GQUTZOMMTXBTDL-JKIFEVAISA-N 0 3 361.417 0.779 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cn(CC)nc2C2CC2)C[C@H]1C ZINC001214731526 1223936625 /nfs/dbraw/zinc/93/66/25/1223936625.db2.gz GWSAIFSCGADXQF-CKEIUWERSA-N 0 3 371.485 0.968 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cn3c(n2)CCCC3)C[C@H]1C ZINC001214752615 1223938593 /nfs/dbraw/zinc/93/85/93/1223938593.db2.gz OOQRWSWFWKXEPH-RBSFLKMASA-N 0 3 357.458 0.407 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccc(OCC)nc2)C[C@H]1C ZINC001214777633 1223941013 /nfs/dbraw/zinc/94/10/13/1223941013.db2.gz BYCAHQFZBYNDKH-IJEWVQPXSA-N 0 3 358.442 0.668 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ccc3n[nH]nc3n2)C[C@H]1C ZINC001214797105 1223943340 /nfs/dbraw/zinc/94/33/40/1223943340.db2.gz UAHKWIHCHILLNQ-JTNHKYCSSA-N 0 3 357.418 0.094 20 30 FCEDHN CCCCCCCCOCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001214863104 1223949228 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C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(=O)NC)C2)cc1 ZINC001215290359 1223989640 /nfs/dbraw/zinc/98/96/40/1223989640.db2.gz OFTRBJNQFSZFJG-DVOMOZLQSA-N 0 3 356.426 0.562 20 30 FCEDHN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)CC(=O)NCCC)C1 ZINC001215320721 1223992903 /nfs/dbraw/zinc/99/29/03/1223992903.db2.gz MAJREAWIBLRWSK-HUUCEWRRSA-N 0 3 366.506 0.620 20 30 FCEDHN Cc1ccc2ncn(CC(=O)N3C[C@@H](C)[C@H](NCC(=O)NCC#N)C3)c2c1 ZINC001215396794 1223996595 /nfs/dbraw/zinc/99/65/95/1223996595.db2.gz CIERMJXICSVNJN-GDBMZVCRSA-N 0 3 368.441 0.421 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCCc3nn(C)cc32)C[C@H]1C ZINC001215401434 1223996953 /nfs/dbraw/zinc/99/69/53/1223996953.db2.gz NOHLLNCIQSEDQU-CKEIUWERSA-N 0 3 359.474 0.579 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2ncccc2OC)C[C@H]1C ZINC001215401213 1223996974 /nfs/dbraw/zinc/99/69/74/1223996974.db2.gz MYWMNJAGMQLZIF-IIAWOOMASA-N 0 3 360.458 0.760 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCCN(CC(F)F)C2)C[C@H]1C ZINC001215407607 1223997457 /nfs/dbraw/zinc/99/74/57/1223997457.db2.gz KSGUKVHNVPGDNW-QLFBSQMISA-N 0 3 370.444 0.149 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ccnc(OCC)c2)C[C@H]1C ZINC001215505794 1224002481 /nfs/dbraw/zinc/00/24/81/1224002481.db2.gz POXAUYKJGCPGTF-IIAWOOMASA-N 0 3 358.442 0.668 20 30 FCEDHN COCc1cc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)ccc1F ZINC001215507996 1224003188 /nfs/dbraw/zinc/00/31/88/1224003188.db2.gz QDGUIKQEKOUHAJ-MLGOLLRUSA-N 0 3 362.405 0.662 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2nnn(CC)c2CC)C[C@H]1C ZINC001215525557 1224004730 /nfs/dbraw/zinc/00/47/30/1224004730.db2.gz UCDWXYMBIDSOQJ-MGPQQGTHSA-N 0 3 360.462 0.048 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2nccc3[nH]ccc32)C[C@H]1C ZINC001215598407 1224008016 /nfs/dbraw/zinc/00/80/16/1224008016.db2.gz ASKJSMPGVNJDOL-XJKCOSOUSA-N 0 3 353.426 0.751 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cnn(-c3ccccn3)c2)C[C@H]1C ZINC001215746596 1224015468 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C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cccc3nccnc32)C[C@H]1C ZINC001216049584 1224031661 /nfs/dbraw/zinc/03/16/61/1224031661.db2.gz FPCRJWPFPAPWKB-CKEIUWERSA-N 0 3 365.437 0.818 20 30 FCEDHN C[C@@H]1CN(C(=O)c2cc(-c3ccccn3)no2)C[C@H]1NCC(=O)NCC#N ZINC001216069188 1224032272 /nfs/dbraw/zinc/03/22/72/1224032272.db2.gz KPUXXLPYCGIFRG-IUODEOHRSA-N 0 3 368.397 0.426 20 30 FCEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1C ZINC001216114239 1224034455 /nfs/dbraw/zinc/03/44/55/1224034455.db2.gz ZZNRSUJVFYINOZ-GDBMZVCRSA-N 0 3 364.490 0.374 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2noc3c2C[C@@H](C)CC3)C[C@H]1C ZINC001216169423 1224037470 /nfs/dbraw/zinc/03/74/70/1224037470.db2.gz CMMIKDUYEHBVCE-GZBFAFLISA-N 0 3 358.442 0.599 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2c(C)nn(CCC)c2C)C[C@H]1C ZINC001216275304 1224041399 /nfs/dbraw/zinc/04/13/99/1224041399.db2.gz KANYMKCNURZKPL-CZUORRHYSA-N 0 3 359.474 0.709 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnn(CC)c2C2CC2)C[C@H]1C 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C=C(C)CCN1C[C@@H](NC(=O)CCc2cnn(C)n2)[C@@H](n2ccnn2)C1 ZINC001129279302 1259363331 /nfs/dbraw/zinc/36/33/31/1259363331.db2.gz CFBXHMXQFAVSBL-CVEARBPZSA-N 0 3 358.450 0.347 20 30 FCEDHN C=CCNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CCCO[C@H]2C=C)CCCO1 ZINC001200537842 1259416499 /nfs/dbraw/zinc/41/64/99/1259416499.db2.gz SXBNVOWPOKREMM-BBWFWOEESA-N 0 3 365.474 0.477 20 30 FCEDHN N#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CCCO1 ZINC001200554140 1259416613 /nfs/dbraw/zinc/41/66/13/1259416613.db2.gz HDQCOUJTGDBLKC-YYIAUSFCSA-N 0 3 360.458 0.436 20 30 FCEDHN C#CCNC[C@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)CCCO1 ZINC001200721744 1259419129 /nfs/dbraw/zinc/41/91/29/1259419129.db2.gz OPMVIDVEDRVSJD-LZLYRXPVSA-N 0 3 360.458 0.821 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnn3cc(C)cnc23)C[C@H]1C ZINC001215719763 1259536615 /nfs/dbraw/zinc/53/66/15/1259536615.db2.gz UDDVUISIHNNUIW-IJEWVQPXSA-N 0 3 368.441 0.226 20 30 FCEDHN C=C[C@H](O)CN1CCC2(CN(C(=O)N(C)C)C[C@@]23CCN(C)C3=O)CC1 ZINC001253575667 1259842932 /nfs/dbraw/zinc/84/29/32/1259842932.db2.gz BEERYINWIFSMTK-HNAYVOBHSA-N 0 3 364.490 0.461 20 30 FCEDHN C=C[C@@H](O)CN1CCC2(CN(C(=O)N(C)C)C[C@@]23CCN(C)C3=O)CC1 ZINC001253575666 1259844486 /nfs/dbraw/zinc/84/44/86/1259844486.db2.gz BEERYINWIFSMTK-DNVCBOLYSA-N 0 3 364.490 0.461 20 30 FCEDHN C=CCN1CCN(C(C)C)C(=O)[C@@]12CCN(C[C@@H](O)CC(=O)OCC)C2 ZINC001253794942 1259855912 /nfs/dbraw/zinc/85/59/12/1259855912.db2.gz LIQIEWHSXUYBTH-LPHOPBHVSA-N 0 3 367.490 0.484 20 30 FCEDHN CN1CC[C@@H](N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)C1 ZINC001255431967 1259913455 /nfs/dbraw/zinc/91/34/55/1259913455.db2.gz NJSXPNUEFIYGNC-QUCCMNQESA-N 0 3 370.453 0.697 20 30 FCEDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCc1ccc(C#N)cc1 ZINC001257774124 1260029300 /nfs/dbraw/zinc/02/93/00/1260029300.db2.gz HOOPQEAKKVPVJZ-QGZVFWFLSA-N 0 3 358.442 0.744 20 30 FCEDHN C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001337994555 1260532515 /nfs/dbraw/zinc/53/25/15/1260532515.db2.gz BZJLGHQZNKNJIW-HUUCEWRRSA-N 0 3 360.462 0.226 20 30 FCEDHN C#CCN1C[C@]2(CC1=O)COCCN(C(=O)[C@@H]1CCCN1CC1CC1)C2 ZINC001273054997 1260581440 /nfs/dbraw/zinc/58/14/40/1260581440.db2.gz CYDLLOPOYCLOEP-PXNSSMCTSA-N 0 3 359.470 0.572 20 30 FCEDHN C=CCOC[C@H](O)CN1CCC[C@@]12CCN(Cc1cc(C)nn1C)C2=O ZINC001277779338 1260669538 /nfs/dbraw/zinc/66/95/38/1260669538.db2.gz ZOOJYPCNZPPZHI-MJGOQNOKSA-N 0 3 362.474 0.859 20 30 FCEDHN N#CC1(C(=O)N2CCO[C@H]3CN(CC4CCOCC4)C[C@H]32)CCOCC1 ZINC001278464186 1260695343 /nfs/dbraw/zinc/69/53/43/1260695343.db2.gz IXZDRCYVGFHMGC-SJORKVTESA-N 0 3 363.458 0.645 20 30 FCEDHN C=CCCCCCN1C[C@@H]2OCCN(C(=O)Cn3cccnc3=O)[C@H]2C1 ZINC001279272956 1260820170 /nfs/dbraw/zinc/82/01/70/1260820170.db2.gz OXLQJUBUOXBALK-IRXDYDNUSA-N 0 3 360.458 0.901 20 30 FCEDHN C=CCn1cc(CN2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)Nc2nnnn2C)cn1 ZINC001279767257 1260931338 /nfs/dbraw/zinc/93/13/38/1260931338.db2.gz PJFHRCCGVQSTRK-QDMKHBRRSA-N 0 3 356.434 0.689 20 30 FCEDHN CC(=O)NCCN1CCC[C@]2(CCN(C(=O)C3(C#N)CCOCC3)C2)C1 ZINC001280174033 1261020915 /nfs/dbraw/zinc/02/09/15/1261020915.db2.gz YYOZCIXWBRZFOU-SFHVURJKSA-N 0 3 362.474 0.757 20 30 FCEDHN N#CCCCCN1CC2(C1)CCN(C(=O)c1cc3n(n1)CCNC3=O)C2 ZINC001280187225 1261025291 /nfs/dbraw/zinc/02/52/91/1261025291.db2.gz ZKSQRZQECBCFSR-UHFFFAOYSA-N 0 3 356.430 0.468 20 30 FCEDHN CCNC(=O)CN1C[C@@H]2CCN(C(=O)C3(C#N)CCOCC3)CC[C@@H]2C1 ZINC001280214863 1261036421 /nfs/dbraw/zinc/03/64/21/1261036421.db2.gz HXZAGVHALUEKFM-IYBDPMFKSA-N 0 3 362.474 0.613 20 30 FCEDHN COc1ccc(CNCCNC(=O)C2N=CC=CC2=O)cc1OCC(N)=O ZINC001318521109 1263581125 /nfs/dbraw/zinc/58/11/25/1263581125.db2.gz HFQLMBVRHVHEDS-ISLYRVAYSA-N 0 3 374.397 0.175 20 30 FCEDHN CN1CCN(CCCCNC(=O)C(=O)Nc2cccc(OCC#N)c2)CC1 ZINC001318679230 1263599269 /nfs/dbraw/zinc/59/92/69/1263599269.db2.gz VWKZIUUZLULBBL-UHFFFAOYSA-N 0 3 373.457 0.671 20 30 FCEDHN N#C[C@@H]1CN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)CCO1 ZINC001322087804 1264144961 /nfs/dbraw/zinc/14/49/61/1264144961.db2.gz KAQZTMSUKIVSPQ-QGZVFWFLSA-N 0 3 356.426 0.302 20 30 FCEDHN N#CCOc1cccc(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC001322808699 1264271593 /nfs/dbraw/zinc/27/15/93/1264271593.db2.gz IWVFVAMOKWYOOX-WBVHZDCISA-N 0 3 372.425 0.185 20 30 FCEDHN C#CC[C@@H](NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1)c1ccccc1 ZINC001323330116 1264402870 /nfs/dbraw/zinc/40/28/70/1264402870.db2.gz DMEWLUNWOYIQJM-PKOBYXMFSA-N 0 3 370.497 0.867 20 30 FCEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001324836200 1264711776 /nfs/dbraw/zinc/71/17/76/1264711776.db2.gz BKIDWYIGOFIVNB-INIZCTEOSA-N 0 3 362.405 0.467 20 30 FCEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001324836203 1264711919 /nfs/dbraw/zinc/71/19/19/1264711919.db2.gz BKIDWYIGOFIVNB-MRXNPFEDSA-N 0 3 362.405 0.467 20 30 FCEDHN C#CCN(C)CCCNC(=O)N1CCC(NC(=O)c2cc(C)on2)CC1 ZINC001325007143 1264754198 /nfs/dbraw/zinc/75/41/98/1264754198.db2.gz HLFFMCFLHQBUPG-UHFFFAOYSA-N 0 3 361.446 0.842 20 30 FCEDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 ZINC001327197730 1265250218 /nfs/dbraw/zinc/25/02/18/1265250218.db2.gz SVUABUOCVCQQKH-WMLDXEAASA-N 0 3 371.441 0.474 20 30 FCEDHN N#CCCCNC(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC001327519471 1265348777 /nfs/dbraw/zinc/34/87/77/1265348777.db2.gz FRHXGNFPGDODFS-UHFFFAOYSA-N 0 3 371.485 0.730 20 30 FCEDHN CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC1(C#N)CCN(C)CC1 ZINC001327657757 1265388709 /nfs/dbraw/zinc/38/87/09/1265388709.db2.gz NQIGDXORDRWMCO-HNNXBMFYSA-N 0 3 360.462 0.587 20 30 FCEDHN CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC1(C#N)CCN(C)CC1 ZINC001327657758 1265389732 /nfs/dbraw/zinc/38/97/32/1265389732.db2.gz NQIGDXORDRWMCO-OAHLLOKOSA-N 0 3 360.462 0.587 20 30 FCEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001340208124 1268470996 /nfs/dbraw/zinc/47/09/96/1268470996.db2.gz YRDZMYYMFKUDIV-HNNXBMFYSA-N 0 3 362.478 0.568 20 30 FCEDHN C=CCn1c(-c2cc(CO)on2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001340465287 1268557247 /nfs/dbraw/zinc/55/72/47/1268557247.db2.gz KMKURWYIUZVICL-CQSZACIVSA-N 0 3 374.445 0.770 20 30 FCEDHN C#CCn1ccc(CN(CC)C(=O)C(=O)N[C@@H](C)CN2CCCCC2)n1 ZINC001340477464 1268561720 /nfs/dbraw/zinc/56/17/20/1268561720.db2.gz FNWULBFUJSBCIH-INIZCTEOSA-N 0 3 359.474 0.855 20 30 FCEDHN COCCn1c(N2CCN(C[C@@H]3CCOC3)CC2)nnc1C(C)(C)C#N ZINC001343263544 1269836413 /nfs/dbraw/zinc/83/64/13/1269836413.db2.gz AIMBPPCCGSTXMP-HNNXBMFYSA-N 0 3 362.478 0.884 20 30 FCEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CCCN1C(=O)CNC1=O ZINC001343291933 1269847959 /nfs/dbraw/zinc/84/79/59/1269847959.db2.gz PMPPKXNSEFMIRZ-NSHDSACASA-N 0 3 358.354 0.675 20 30 FCEDHN COc1ccc(NC(=O)C(C#N)C(=O)COCc2nncn2C)cc1OC ZINC001343386064 1269889345 /nfs/dbraw/zinc/88/93/45/1269889345.db2.gz JFEXKNAWGNPWGR-GFCCVEGCSA-N 0 3 373.369 0.696 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)c1ccc(-c2c[nH]nn2)cc1 ZINC001574986233 1271688087 /nfs/dbraw/zinc/68/80/87/1271688087.db2.gz WQZQBQRNYQVSEB-ZIAGYGMSSA-N 0 3 368.441 0.660 20 30 FCEDHN C=C1CCC(C(=O)NC[C@H]2CCN([C@@H](C)C(=O)NCc3c[nH]nn3)C2)CC1 ZINC001575061047 1271704241 /nfs/dbraw/zinc/70/42/41/1271704241.db2.gz AKEDJWBSHYVINO-LSDHHAIUSA-N 0 3 374.489 0.994 20 30 FCEDHN C=CC(C)(C)CC(=O)N1C[C@H]2CN(CC(=O)NCc3c[nH]nn3)C[C@@]2(C)C1 ZINC001575065156 1271705407 /nfs/dbraw/zinc/70/54/07/1271705407.db2.gz FCDLDLFUGDJFTM-KUHUBIRLSA-N 0 3 374.489 0.804 20 30 FCEDHN C=CCC1(C(=O)NC[C@@H]2CCN(CC(=O)NCc3c[nH]nn3)C2)CCC1 ZINC001575086511 1271714529 /nfs/dbraw/zinc/71/45/29/1271714529.db2.gz ZADHNSURDVJBHR-AWEZNQCLSA-N 0 3 360.462 0.605 20 30 FCEDHN C=CCN1CC[C@@H](N2CCC[C@@H]2CNC(=O)CCCc2cn[nH]n2)C1=O ZINC001575103420 1271718204 /nfs/dbraw/zinc/71/82/04/1271718204.db2.gz BSECRUJLULSMCZ-HZPDHXFCSA-N 0 3 360.462 0.495 20 30 FCEDHN C=CCN1CC[C@@H](N2CCC[C@@H]2CNC(=O)CCCc2c[nH]nn2)C1=O ZINC001575103420 1271718214 /nfs/dbraw/zinc/71/82/14/1271718214.db2.gz BSECRUJLULSMCZ-HZPDHXFCSA-N 0 3 360.462 0.495 20 30 FCEDHN C=CCN1CCN([C@@H]2CCN(C(=O)c3ccc(-c4c[nH]nn4)nc3)C2)CC1 ZINC001575103353 1271719057 /nfs/dbraw/zinc/71/90/57/1271719057.db2.gz ASIIFIBSHVLPRH-MRXNPFEDSA-N 0 3 367.457 0.885 20 30 FCEDHN C=CCN1CC[C@@H](N[C@H](C)CNC(=O)c2ccc(-c3c[nH]nn3)cn2)C1=O ZINC001575103399 1271719327 /nfs/dbraw/zinc/71/93/27/1271719327.db2.gz BJQFKDCEUUFGED-IUODEOHRSA-N 0 3 369.429 0.362 20 30 FCEDHN C=CCCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCc2cn[nH]n2)C1 ZINC001575099676 1271719791 /nfs/dbraw/zinc/71/97/91/1271719791.db2.gz ARDKECSIUWTHTA-CHWSQXEVSA-N 0 3 361.368 0.919 20 30 FCEDHN CC(C)C#CC(=O)N1CC[C@H]2[C@H](CCN2CC(=O)NCc2c[nH]nn2)C1 ZINC001575318558 1271918764 /nfs/dbraw/zinc/91/87/64/1271918764.db2.gz LPSQAPGQRWNPEA-ZBFHGGJFSA-N 0 3 358.446 0.003 20 30 FCEDHN N#Cc1cc(C(=O)N2CC[C@H](N3CCN(CCc4c[nH]nn4)CC3)C2)c[nH]1 ZINC001577712366 1274770972 /nfs/dbraw/zinc/77/09/72/1274770972.db2.gz KLFGEDXWBCAVNG-KRWDZBQOSA-N 0 3 368.445 0.079 20 30 FCEDHN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2OCC[C@H]2N)cc1 ZINC001578529232 1275959610 /nfs/dbraw/zinc/95/96/10/1275959610.db2.gz RJIPIROTFBTUNS-RDZQIJKLSA-N 0 3 366.443 0.554 20 30 FCEDHN COC[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)[C@H](N)CCCC#N)CCO1 ZINC001578979703 1276539375 /nfs/dbraw/zinc/53/93/75/1276539375.db2.gz MPEKNWBIFMIJPR-CXAGYDPISA-N 0 3 355.435 0.593 20 30 FCEDHN C[NH+](C)CCN(Cc1ccc(-c2nn[n-]n2)cc1)c1cnc(C#N)c(C#N)n1 ZINC001578991611 1276564991 /nfs/dbraw/zinc/56/49/91/1276564991.db2.gz BXAMPJGRYOCZJZ-UHFFFAOYSA-N 0 3 374.412 0.968 20 30 FCEDHN CS(=O)(=O)Nc1cccc2c1CCN(C(=O)[C@@H](N)CCCC#N)C2 ZINC001579348190 1277203530 /nfs/dbraw/zinc/20/35/30/1277203530.db2.gz YGFGMUBKNWKSJE-AWEZNQCLSA-N 0 3 350.444 0.964 20 30 FCEDHN COCC#CC[NH2+]CC[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001579617407 1277663292 /nfs/dbraw/zinc/66/32/92/1277663292.db2.gz CHUAICKXVAYYTG-AWEZNQCLSA-N 0 3 371.445 0.677 20 30 FCEDHN COCC#CC[NH2+]CC[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579617407 1277663296 /nfs/dbraw/zinc/66/32/96/1277663296.db2.gz CHUAICKXVAYYTG-AWEZNQCLSA-N 0 3 371.445 0.677 20 30 FCEDHN COCC#CC[NH2+][C@H]1CCCCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001579618138 1277663302 /nfs/dbraw/zinc/66/33/02/1277663302.db2.gz IQEYHLIAEIMEDX-HNNXBMFYSA-N 0 3 371.445 0.819 20 30 FCEDHN COCC#CC[NH2+]C[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001579618492 1277664759 /nfs/dbraw/zinc/66/47/59/1277664759.db2.gz LGGYHGGRNJOFJG-CYBMUJFWSA-N 0 3 357.418 0.286 20 30 FCEDHN COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)C#N)cc1-c1nnn[n-]1 ZINC001580021106 1277992134 /nfs/dbraw/zinc/99/21/34/1277992134.db2.gz BBESYAHRTRBDLV-NWDGAFQWSA-N 0 3 357.418 0.971 20 30 FCEDHN COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)C#N)cc1-c1nn[n-]n1 ZINC001580021106 1277992136 /nfs/dbraw/zinc/99/21/36/1277992136.db2.gz BBESYAHRTRBDLV-NWDGAFQWSA-N 0 3 357.418 0.971 20 30 FCEDHN C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1 ZINC001714327599 1287319251 /nfs/dbraw/zinc/31/92/51/1287319251.db2.gz LDOALARVCHFINO-OTWHNJEPSA-N 0 3 369.465 0.717 20 30 FCEDHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)c1ccc(C#N)[nH]1 ZINC001580274588 1278069686 /nfs/dbraw/zinc/06/96/86/1278069686.db2.gz YAMZXCTXJGQMTK-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)c1ccc(C#N)[nH]1 ZINC001580274588 1278069694 /nfs/dbraw/zinc/06/96/94/1278069694.db2.gz YAMZXCTXJGQMTK-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN C#C[C@H]([NH2+]C[C@@H](O)COc1ccccc1-c1nnn[n-]1)C1CCOCC1 ZINC001588328566 1282421801 /nfs/dbraw/zinc/42/18/01/1282421801.db2.gz KPNONDGZIUIXQI-ZBFHGGJFSA-N 0 3 357.414 0.624 20 30 FCEDHN C#C[C@H]([NH2+]C[C@@H](O)COc1ccccc1-c1nn[n-]n1)C1CCOCC1 ZINC001588328566 1282421805 /nfs/dbraw/zinc/42/18/05/1282421805.db2.gz KPNONDGZIUIXQI-ZBFHGGJFSA-N 0 3 357.414 0.624 20 30 FCEDHN C#CCCCC(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588338892 1282432254 /nfs/dbraw/zinc/43/22/54/1282432254.db2.gz QHLKSRUDGYZYPT-CYBMUJFWSA-N 0 3 360.393 0.376 20 30 FCEDHN C#CC[N@H+](C)CCCNc1ccc(-c2nn[n-]n2)cc1CS(N)(=O)=O ZINC001588349655 1282444035 /nfs/dbraw/zinc/44/40/35/1282444035.db2.gz URUNNRGQRDJIKW-UHFFFAOYSA-N 0 3 363.447 0.022 20 30 FCEDHN C#CC[N@@H+](C)CCCNc1ccc(-c2nn[n-]n2)cc1CS(N)(=O)=O ZINC001588349655 1282444038 /nfs/dbraw/zinc/44/40/38/1282444038.db2.gz URUNNRGQRDJIKW-UHFFFAOYSA-N 0 3 363.447 0.022 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001588351563 1282446145 /nfs/dbraw/zinc/44/61/45/1282446145.db2.gz ZGJMLEKKERPDAD-AWEZNQCLSA-N 0 3 373.486 0.622 20 30 FCEDHN C#CCO[C@H](C)C(=O)N(CC)CC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588354956 1282450627 /nfs/dbraw/zinc/45/06/27/1282450627.db2.gz BGMUDSNYNUDRMY-CYBMUJFWSA-N 0 3 374.420 0.982 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N[C@H](C)CC[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588355175 1282453694 /nfs/dbraw/zinc/45/36/94/1282453694.db2.gz FWHIJXKUJUZLDZ-KGLIPLIRSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N[C@H](C)CC[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001588355175 1282453697 /nfs/dbraw/zinc/45/36/97/1282453697.db2.gz FWHIJXKUJUZLDZ-KGLIPLIRSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001588355958 1282456992 /nfs/dbraw/zinc/45/69/92/1282456992.db2.gz QEEKIIGWDXZYMO-AWEZNQCLSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N[C@H](C)CC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588356295 1282459640 /nfs/dbraw/zinc/45/96/40/1282459640.db2.gz VZLDLMPGPNUXAO-KGLIPLIRSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N[C@H](C)CC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588356295 1282459643 /nfs/dbraw/zinc/45/96/43/1282459643.db2.gz VZLDLMPGPNUXAO-KGLIPLIRSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NCC[C@@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588356803 1282460511 /nfs/dbraw/zinc/46/05/11/1282460511.db2.gz GIGRYCQTUGFAMB-KGLIPLIRSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NCC[C@@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001588356803 1282460516 /nfs/dbraw/zinc/46/05/16/1282460516.db2.gz GIGRYCQTUGFAMB-KGLIPLIRSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001588356637 1282461167 /nfs/dbraw/zinc/46/11/67/1282461167.db2.gz YVRRRSNRENHHTE-NWDGAFQWSA-N 0 3 360.393 0.638 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001588356637 1282461175 /nfs/dbraw/zinc/46/11/75/1282461175.db2.gz YVRRRSNRENHHTE-NWDGAFQWSA-N 0 3 360.393 0.638 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NCCC[N@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588357308 1282464798 /nfs/dbraw/zinc/46/47/98/1282464798.db2.gz KVGIMWJSDBZWNS-AWEZNQCLSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NCCC[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588357308 1282464803 /nfs/dbraw/zinc/46/48/03/1282464803.db2.gz KVGIMWJSDBZWNS-AWEZNQCLSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588358010 1282466794 /nfs/dbraw/zinc/46/67/94/1282466794.db2.gz RWGPZEXVROEXRQ-KGLIPLIRSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588358010 1282466797 /nfs/dbraw/zinc/46/67/97/1282466797.db2.gz RWGPZEXVROEXRQ-KGLIPLIRSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCOCCC(=O)N1CCC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588359765 1282476455 /nfs/dbraw/zinc/47/64/55/1282476455.db2.gz YBGQFIMFHIOYDL-KRWDZBQOSA-N 0 3 368.441 0.987 20 30 FCEDHN C#CCOCCC(=O)N1CCC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001588359765 1282476462 /nfs/dbraw/zinc/47/64/62/1282476462.db2.gz YBGQFIMFHIOYDL-KRWDZBQOSA-N 0 3 368.441 0.987 20 30 FCEDHN C#CCOCCC(=O)N(C)C[C@@H](C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001588360452 1282478660 /nfs/dbraw/zinc/47/86/60/1282478660.db2.gz QAJJLLFVDHUEFX-CYBMUJFWSA-N 0 3 374.420 0.982 20 30 FCEDHN C#CCOCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588361182 1282482367 /nfs/dbraw/zinc/48/23/67/1282482367.db2.gz GPPYBUNGGGMMPN-KRWDZBQOSA-N 0 3 368.441 0.987 20 30 FCEDHN C#CCOCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588361182 1282482375 /nfs/dbraw/zinc/48/23/75/1282482375.db2.gz GPPYBUNGGGMMPN-KRWDZBQOSA-N 0 3 368.441 0.987 20 30 FCEDHN C#CCOCCC(=O)NC[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001588361235 1282482420 /nfs/dbraw/zinc/48/24/20/1282482420.db2.gz IECCOGCUNUKOQB-GFCCVEGCSA-N 0 3 360.393 0.640 20 30 FCEDHN C#CCOCCC(=O)NC[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001588361235 1282482426 /nfs/dbraw/zinc/48/24/26/1282482426.db2.gz IECCOGCUNUKOQB-GFCCVEGCSA-N 0 3 360.393 0.640 20 30 FCEDHN C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001588505659 1282547382 /nfs/dbraw/zinc/54/73/82/1282547382.db2.gz ULJSBYHRWDZXBI-KRWDZBQOSA-N 0 3 360.418 0.408 20 30 FCEDHN C=C[C@](C)(O)CC(=O)NCC[NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001588505659 1282547391 /nfs/dbraw/zinc/54/73/91/1282547391.db2.gz ULJSBYHRWDZXBI-KRWDZBQOSA-N 0 3 360.418 0.408 20 30 FCEDHN C=C[C@](C)(O)CC(=O)NCCC[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001588505747 1282547655 /nfs/dbraw/zinc/54/76/55/1282547655.db2.gz WMXBKIUOJRNPLH-KRWDZBQOSA-N 0 3 362.409 0.929 20 30 FCEDHN C=C[C@](C)(O)CC(=O)NCCC[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001588505747 1282547662 /nfs/dbraw/zinc/54/76/62/1282547662.db2.gz WMXBKIUOJRNPLH-KRWDZBQOSA-N 0 3 362.409 0.929 20 30 FCEDHN C=CC[C@]1(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)CCC[NH2+]1 ZINC001588552074 1282567681 /nfs/dbraw/zinc/56/76/81/1282567681.db2.gz MXGPRWKPASAHAH-GOSISDBHSA-N 0 3 368.445 0.609 20 30 FCEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)NC[C@@H](C)[NH2+]CC ZINC001588640070 1282604300 /nfs/dbraw/zinc/60/43/00/1282604300.db2.gz ZWLYJDVCNVIEHU-CYBMUJFWSA-N 0 3 371.445 0.496 20 30 FCEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)NC[C@@H](C)[NH2+]CC ZINC001588640070 1282604310 /nfs/dbraw/zinc/60/43/10/1282604310.db2.gz ZWLYJDVCNVIEHU-CYBMUJFWSA-N 0 3 371.445 0.496 20 30 FCEDHN C=CCN1CC[C@@H]([NH2+][C@H](C)CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1=O ZINC001588657651 1282609411 /nfs/dbraw/zinc/60/94/11/1282609411.db2.gz SDDYAVLLYRQNEB-BXUZGUMPSA-N 0 3 372.433 0.080 20 30 FCEDHN C=CCN1CC[C@@H]([NH2+][C@H](C)CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1=O ZINC001588657803 1282609925 /nfs/dbraw/zinc/60/99/25/1282609925.db2.gz XIYIWLFYPZSUHU-DGCLKSJQSA-N 0 3 372.433 0.080 20 30 FCEDHN C=CCOCC[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC001588682788 1282643629 /nfs/dbraw/zinc/64/36/29/1282643629.db2.gz JONAKRMBYXINFA-TZMCWYRMSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC001588682788 1282643641 /nfs/dbraw/zinc/64/36/41/1282643641.db2.gz JONAKRMBYXINFA-TZMCWYRMSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[N@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001588683297 1282645636 /nfs/dbraw/zinc/64/56/36/1282645636.db2.gz QCNSBRKJTMSTFW-JSGCOSHPSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001588683297 1282645649 /nfs/dbraw/zinc/64/56/49/1282645649.db2.gz QCNSBRKJTMSTFW-JSGCOSHPSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[NH2+]CC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001588683550 1282649900 /nfs/dbraw/zinc/64/99/00/1282649900.db2.gz XWVFKAOGJIZVFP-UHFFFAOYSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[NH2+]CC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001588683550 1282649914 /nfs/dbraw/zinc/64/99/14/1282649914.db2.gz XWVFKAOGJIZVFP-UHFFFAOYSA-N 0 3 359.434 0.839 20 30 FCEDHN CC#CC[N@H+](CCO)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001588747854 1282684819 /nfs/dbraw/zinc/68/48/19/1282684819.db2.gz XYNADPPYJXHRDA-UHFFFAOYSA-N 0 3 357.418 0.117 20 30 FCEDHN CC#CC[N@@H+](CCO)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001588747854 1282684828 /nfs/dbraw/zinc/68/48/28/1282684828.db2.gz XYNADPPYJXHRDA-UHFFFAOYSA-N 0 3 357.418 0.117 20 30 FCEDHN CC(C)(C)C#CC(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001589067745 1282791159 /nfs/dbraw/zinc/79/11/59/1282791159.db2.gz FIPBBHRGJGHZRI-OAHLLOKOSA-N 0 3 356.430 0.483 20 30 FCEDHN CC(C)(C)C#CC(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001589067745 1282791166 /nfs/dbraw/zinc/79/11/66/1282791166.db2.gz FIPBBHRGJGHZRI-OAHLLOKOSA-N 0 3 356.430 0.483 20 30 FCEDHN CC(C)C#CC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001589385007 1282859847 /nfs/dbraw/zinc/85/98/47/1282859847.db2.gz UOBOYGRHNHFRIF-KRWDZBQOSA-N 0 3 368.441 0.843 20 30 FCEDHN CCC1([NH2+]CC#CCOC)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001590498449 1283568199 /nfs/dbraw/zinc/56/81/99/1283568199.db2.gz VLOFIVZGZDNXNY-UHFFFAOYSA-N 0 3 371.445 0.819 20 30 FCEDHN CCC1([NH2+]CC#CCOC)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001590498449 1283568206 /nfs/dbraw/zinc/56/82/06/1283568206.db2.gz VLOFIVZGZDNXNY-UHFFFAOYSA-N 0 3 371.445 0.819 20 30 FCEDHN CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C(=O)C#CC1CC1 ZINC001591045067 1284104218 /nfs/dbraw/zinc/10/42/18/1284104218.db2.gz DTPCXFJSGDTJIW-AWEZNQCLSA-N 0 3 372.404 0.328 20 30 FCEDHN COC(=O)[C@@H]1CN(C(=O)C(C#N)Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC001591278869 1284435665 /nfs/dbraw/zinc/43/56/65/1284435665.db2.gz VHKITGSCANFPBF-BYCMXARLSA-N 0 3 368.397 0.816 20 30 FCEDHN COCC#CC[NH2+][C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C ZINC001591360141 1284494376 /nfs/dbraw/zinc/49/43/76/1284494376.db2.gz ACQOBLCLRHIOTP-JSGCOSHPSA-N 0 3 357.418 0.285 20 30 FCEDHN COCC#CC[NH2+][C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C ZINC001591360141 1284494380 /nfs/dbraw/zinc/49/43/80/1284494380.db2.gz ACQOBLCLRHIOTP-JSGCOSHPSA-N 0 3 357.418 0.285 20 30 FCEDHN COCC#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001591361458 1284497713 /nfs/dbraw/zinc/49/77/13/1284497713.db2.gz MTBVSKCUJZIPRC-CZUORRHYSA-N 0 3 371.445 0.817 20 30 FCEDHN COCC#CC[NH2+]C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C ZINC001591361814 1284498477 /nfs/dbraw/zinc/49/84/77/1284498477.db2.gz OIFZGXADFIANFS-STQMWFEESA-N 0 3 357.418 0.142 20 30 FCEDHN C[NH+](C)[C@H](CNC(=O)Cn1cnc(C#N)c1-c1nnn[n-]1)c1ccccc1 ZINC001604671468 1287721660 /nfs/dbraw/zinc/72/16/60/1287721660.db2.gz JJHNICRCGNLCAR-CQSZACIVSA-N 0 3 365.401 0.354 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ZINC001215134478 855071091 /nfs/dbraw/zinc/07/10/91/855071091.db2.gz PJMVDHBNWXIXTN-ZYHUDNBSSA-N 0 3 353.373 0.157 20 30 FCEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C[C@H]1C ZINC001215314152 855098964 /nfs/dbraw/zinc/09/89/64/855098964.db2.gz FWMGTWWBVGFSHS-RRFJBIMHSA-N 0 3 352.479 0.359 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C2(CF)CCC2)C[C@H]1C ZINC001215585459 855129828 /nfs/dbraw/zinc/12/98/28/855129828.db2.gz HQOXPMUBBDKBCG-CHWSQXEVSA-N 0 3 354.426 0.575 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2csc3cncn32)C[C@H]1C ZINC001215747164 855141448 /nfs/dbraw/zinc/14/14/48/855141448.db2.gz UWFWTEITMAOIPW-FRRDWIJNSA-N 0 3 359.455 0.584 20 30 FCEDHN C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)CC)C1 ZINC001215803264 855146629 /nfs/dbraw/zinc/14/66/29/855146629.db2.gz WRTAPBSLYSOBBM-FVQBIDKESA-N 0 3 352.479 0.372 20 30 FCEDHN COCC#CCN[C@@H]1CN(C(=O)C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001216244899 855182496 /nfs/dbraw/zinc/18/24/96/855182496.db2.gz PKSTZNNRWHYTFI-OWCLPIDISA-N 0 3 356.488 0.288 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC(=O)NCC2CC2)C[C@H]1C ZINC001216271490 855185717 /nfs/dbraw/zinc/18/57/17/855185717.db2.gz TTZXPMHCAVLRFO-VNHYZAJKSA-N 0 3 350.463 0.030 20 30 FCEDHN CCCCCS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](NCC#CCOC)C1 ZINC001216352021 855193515 /nfs/dbraw/zinc/19/35/15/855193515.db2.gz JLNXODCJBVBHQW-HZPDHXFCSA-N 0 3 358.504 0.678 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2conc2COC)C[C@H]1C ZINC001216361365 855195027 /nfs/dbraw/zinc/19/50/27/855195027.db2.gz GEAAAGOSJBSXIY-YRGRVCCFSA-N 0 3 350.419 0.562 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCC(=O)NCCC)C[C@H]1C ZINC001216431590 855201879 /nfs/dbraw/zinc/20/18/79/855201879.db2.gz DRYZMXHFYHNTEX-QLFBSQMISA-N 0 3 352.479 0.420 20 30 FCEDHN C[C@@H]1CN(C(=O)C23CC(C(F)(F)F)(C2)C3)C[C@H]1NCC(=O)NCC#N ZINC001216853711 855260489 /nfs/dbraw/zinc/26/04/89/855260489.db2.gz KKJYZJOQBLDDJI-ASNHAOSHSA-N 0 3 358.364 0.795 20 30 FCEDHN 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C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCO1 ZINC001224629141 856992850 /nfs/dbraw/zinc/99/28/50/856992850.db2.gz BDQVWTHSOJGHCH-MCIONIFRSA-N 0 3 352.435 0.194 20 30 FCEDHN N#CCSCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC[C@@H]1CCOC1 ZINC001224923185 857007577 /nfs/dbraw/zinc/00/75/77/857007577.db2.gz PTYXDUDEIUZWMR-RRFJBIMHSA-N 0 3 368.503 0.413 20 30 FCEDHN CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CSCC#N ZINC001224909933 857007689 /nfs/dbraw/zinc/00/76/89/857007689.db2.gz GAQDMWRTRXFCHW-ZIAGYGMSSA-N 0 3 356.492 0.413 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NCC ZINC001225946444 857072979 /nfs/dbraw/zinc/07/29/79/857072979.db2.gz GKQBWTULVCXRCR-PBFPGSCMSA-N 0 3 354.451 0.176 20 30 FCEDHN COCC#CCN[C@@H]1CCCC[C@H]1NC(=O)C1CC2(C1)CS(=O)(=O)C2 ZINC001227047149 857138092 /nfs/dbraw/zinc/13/80/92/857138092.db2.gz ALBPQVZIFYCVOW-HZPDHXFCSA-N 0 3 368.499 0.478 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001227106048 857141278 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C=CCCOCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NCC ZINC001230320000 857325159 /nfs/dbraw/zinc/32/51/59/857325159.db2.gz CLBBFKKUWRCBJH-ZIAGYGMSSA-N 0 3 354.451 0.442 20 30 FCEDHN CCC(=O)On1nc2c(c1[N-]S(=O)(=O)C1CC[NH2+]CC1)CNC2(C)C ZINC001237583174 857455042 /nfs/dbraw/zinc/45/50/42/857455042.db2.gz XXTREHGSUOMFFJ-UHFFFAOYSA-N 0 3 371.463 0.080 20 30 FCEDHN C#CCOC[C@@H](O)CN1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(CO)C1 ZINC001251835654 857757224 /nfs/dbraw/zinc/75/72/24/857757224.db2.gz OPJAELWJDVJBAZ-RLFYNMQTSA-N 0 3 354.447 0.158 20 30 FCEDHN C[C@](O)(CNC(CO)CO)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252329997 857793559 /nfs/dbraw/zinc/79/35/59/857793559.db2.gz AHTHNWLLFNEHSQ-AWEZNQCLSA-N 0 3 361.320 0.209 20 30 FCEDHN CN(C)S(=O)(=O)N1CCC2(C1)CCN(Cc1cc(C#N)n(C)c1)CC2 ZINC001279568692 862961962 /nfs/dbraw/zinc/96/19/62/862961962.db2.gz REEPJJKQKALBCB-UHFFFAOYSA-N 0 3 365.503 0.991 20 30 FCEDHN C=CCn1c(CNS(=O)(=O)CC)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001262989683 859078014 /nfs/dbraw/zinc/07/80/14/859078014.db2.gz CBAAPRMNUWXVQI-KGLIPLIRSA-N 0 3 370.523 0.822 20 30 FCEDHN C=CCn1c(CNS(=O)(=O)CC)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001262989685 859078557 /nfs/dbraw/zinc/07/85/57/859078557.db2.gz CBAAPRMNUWXVQI-ZIAGYGMSSA-N 0 3 370.523 0.822 20 30 FCEDHN CC(C)[C@H](C(=O)N1CC[C@@]2(C1)CN(CCCC#N)C(=O)CO2)N(C)C ZINC001273183257 860402737 /nfs/dbraw/zinc/40/27/37/860402737.db2.gz RTWVEZBNMVMCMV-AEFFLSMTSA-N 0 3 350.463 0.706 20 30 FCEDHN C=CC[C@H](CC)NC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC001322821227 868958871 /nfs/dbraw/zinc/95/88/71/868958871.db2.gz QQGMXFVMGICUDE-HNNXBMFYSA-N 0 3 352.479 0.470 20 30 FCEDHN CN(C)CCN(CC1CCCCC1)C(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC001325170128 869801930 /nfs/dbraw/zinc/80/19/30/869801930.db2.gz GSHKHSFWBKLQBV-INIZCTEOSA-N 0 3 350.463 0.708 20 30 FCEDHN Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@H](C)CC#N)cc(C)n1 ZINC001326907750 870565274 /nfs/dbraw/zinc/56/52/74/870565274.db2.gz WFDRAUXEARLMLZ-LLVKDONJSA-N 0 3 374.488 0.474 20 30 FCEDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC(C)(C#N)CC1 ZINC001326971287 870597417 /nfs/dbraw/zinc/59/74/17/870597417.db2.gz ZQDFKNGAOCCCCM-OAHLLOKOSA-N 0 3 350.463 0.708 20 30 FCEDHN COc1ccc(NC(=O)C(C#N)C(=O)CN2CCCS2(=O)=O)cc1 ZINC001343982280 870695179 /nfs/dbraw/zinc/69/51/79/870695179.db2.gz GYBGLXGBIQAFHV-ZDUSSCGKSA-N 0 3 351.384 0.378 20 30 FCEDHN C=CCN(C(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1)C1CC1 ZINC001328549785 871498553 /nfs/dbraw/zinc/49/85/53/871498553.db2.gz KSEPKQUMJLDEMK-UHFFFAOYSA-N 0 3 350.463 0.176 20 30 FCEDHN COCCN1CCC[C@@H](NC(=O)CCNC(=O)C2N=CC=CC2=O)C1 ZINC001329293421 871937523 /nfs/dbraw/zinc/93/75/23/871937523.db2.gz XHCFOUBCWIEEQQ-VLUKHXRESA-N 0 3 350.419 0.130 20 30 FCEDHN COCCN1CCC[C@@H](NC(=O)CCNC(=O)C2N=CC=CC2=O)C1 ZINC001329293420 871938461 /nfs/dbraw/zinc/93/84/61/871938461.db2.gz XHCFOUBCWIEEQQ-PHODEOQFSA-N 0 3 350.419 0.130 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NCCOc2ncccc2F)CC1 ZINC001329714682 872200366 /nfs/dbraw/zinc/20/03/66/872200366.db2.gz CETKCTMOZHFVJA-UHFFFAOYSA-N 0 3 350.394 0.482 20 30 FCEDHN C#CCN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC[NH+](C[C@H](C)O)CC1 ZINC001573281587 946676945 /nfs/dbraw/zinc/67/69/45/946676945.db2.gz ABICCDGTSDTUQY-LBPRGKRZSA-N 0 3 357.418 0.115 20 30 FCEDHN C#CCOCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573287471 946838651 /nfs/dbraw/zinc/83/86/51/946838651.db2.gz CGECROWRXIBNBE-IYBDPMFKSA-N 0 3 354.414 0.643 20 30 FCEDHN C#CCOCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573287471 946838656 /nfs/dbraw/zinc/83/86/56/946838656.db2.gz CGECROWRXIBNBE-IYBDPMFKSA-N 0 3 354.414 0.643 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573288192 946860194 /nfs/dbraw/zinc/86/01/94/946860194.db2.gz SMAVLBOCKWMSDW-RYUDHWBXSA-N 0 3 360.393 0.638 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573288192 946860207 /nfs/dbraw/zinc/86/02/07/946860207.db2.gz SMAVLBOCKWMSDW-RYUDHWBXSA-N 0 3 360.393 0.638 20 30 FCEDHN C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573294137 946976700 /nfs/dbraw/zinc/97/67/00/946976700.db2.gz VZKTVXTWKIQSCS-AWEZNQCLSA-N 0 3 359.434 0.982 20 30 FCEDHN C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573294137 946976706 /nfs/dbraw/zinc/97/67/06/946976706.db2.gz VZKTVXTWKIQSCS-AWEZNQCLSA-N 0 3 359.434 0.982 20 30 FCEDHN C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573294137 946976713 /nfs/dbraw/zinc/97/67/13/946976713.db2.gz VZKTVXTWKIQSCS-AWEZNQCLSA-N 0 3 359.434 0.982 20 30 FCEDHN C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573294137 946976719 /nfs/dbraw/zinc/97/67/19/946976719.db2.gz VZKTVXTWKIQSCS-AWEZNQCLSA-N 0 3 359.434 0.982 20 30 FCEDHN C[C@@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573568203 947069446 /nfs/dbraw/zinc/06/94/46/947069446.db2.gz ZDYJYXKNWPGIQW-ZFWWWQNUSA-N 0 3 369.429 0.733 20 30 FCEDHN C[C@H](C#N)C(=O)NC1(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC001573574755 947132911 /nfs/dbraw/zinc/13/29/11/947132911.db2.gz UIVJVZNLLLFRAQ-CYBMUJFWSA-N 0 3 369.429 0.781 20 30 FCEDHN C[C@H](C#N)C(=O)NC1(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC001573574755 947132913 /nfs/dbraw/zinc/13/29/13/947132913.db2.gz UIVJVZNLLLFRAQ-CYBMUJFWSA-N 0 3 369.429 0.781 20 30 FCEDHN CN(CCC(=O)Nc1ccccc1C#N)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292065403 214075640 /nfs/dbraw/zinc/07/56/40/214075640.db2.gz CIDLBZCILHJGPH-AWEZNQCLSA-N 0 3 350.444 0.853 20 30 FCEDHN N#Cc1ccc(OC[C@H](O)CN2CCC[C@H](n3cc(CO)nn3)C2)cc1 ZINC000293007569 214137965 /nfs/dbraw/zinc/13/79/65/214137965.db2.gz PKUNEKAUXJIDED-DLBZAZTESA-N 0 3 357.414 0.719 20 30 FCEDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccccc2OCC#N)CC1 ZINC000152306162 530055945 /nfs/dbraw/zinc/05/59/45/530055945.db2.gz PDNQXRHCEHKEFW-MRXNPFEDSA-N 0 3 356.426 0.968 20 30 FCEDHN COc1ccc(C#N)cc1NC(=O)C(=O)NCC1(N(C)C)CCOCC1 ZINC000265082486 210051011 /nfs/dbraw/zinc/05/10/11/210051011.db2.gz KHNGXTMBWOQMPA-UHFFFAOYSA-N 0 3 360.414 0.732 20 30 FCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](C)[C@H]3CO)CC2)o1 ZINC000332357044 215136173 /nfs/dbraw/zinc/13/61/73/215136173.db2.gz ZYSJDYJHPSKGDY-CZUORRHYSA-N 0 3 361.446 0.596 20 30 FCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H]3[C@H]4CCO[C@H]4C3(C)C)CC2)o1 ZINC000333034451 215226863 /nfs/dbraw/zinc/22/68/63/215226863.db2.gz CSIZVUCHNKVGIO-KBRIMQKVSA-N 0 3 373.457 0.906 20 30 FCEDHN C[C@]1(C2CCN(C[C@H](O)COc3ccc(C#N)cc3)CC2)NC(=O)NC1=O ZINC000374105123 217096880 /nfs/dbraw/zinc/09/68/80/217096880.db2.gz HHYDPWDABVLYBR-HNAYVOBHSA-N 0 3 372.425 0.608 20 30 FCEDHN N#CCCC[C@H](N)C(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000424142898 247171952 /nfs/dbraw/zinc/17/19/52/247171952.db2.gz IWXJCAXHSDHZPU-AEFFLSMTSA-N 0 3 360.458 0.592 20 30 FCEDHN CN(C(=O)CN1CCN(C(=O)[C@@H](N)CCCC#N)CC1)C1CCCCC1 ZINC000424155572 247173384 /nfs/dbraw/zinc/17/33/84/247173384.db2.gz MWFLDNBKLKOOAI-KRWDZBQOSA-N 0 3 363.506 0.943 20 30 FCEDHN C=CCOc1cccc(NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)c1 ZINC000424445663 247217837 /nfs/dbraw/zinc/21/78/37/247217837.db2.gz GLSLCDVBHBGUFT-DLBZAZTESA-N 0 3 369.425 0.877 20 30 FCEDHN COCCN(C)CCN1C[C@H](NC(=O)[C@@]2(C#N)CC23CCCC3)CC1=O ZINC000425326124 247326290 /nfs/dbraw/zinc/32/62/90/247326290.db2.gz YAYQRNOXNSFJMN-BEFAXECRSA-N 0 3 362.474 0.756 20 30 FCEDHN COC(=O)CCN1CC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1=O ZINC000471086250 250089036 /nfs/dbraw/zinc/08/90/36/250089036.db2.gz MIBCIFLDAQTDAF-CVEARBPZSA-N 0 3 368.393 0.521 20 30 FCEDHN Cc1nn(C)c(N2CCN(C(=O)NCCOCCN(C)C)CC2)c1C#N ZINC000472060519 250130259 /nfs/dbraw/zinc/13/02/59/250130259.db2.gz VIHWIXSMQYESIW-UHFFFAOYSA-N 0 3 363.466 0.010 20 30 FCEDHN COCCN(C)CCNC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000472109877 250130944 /nfs/dbraw/zinc/13/09/44/250130944.db2.gz FFLOPUVTUYPKQW-UHFFFAOYSA-N 0 3 363.466 0.010 20 30 FCEDHN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000481154466 250319237 /nfs/dbraw/zinc/31/92/37/250319237.db2.gz GWJZBANIOUYPGB-JSGCOSHPSA-N 0 3 362.455 0.578 20 30 FCEDHN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000481159612 250320305 /nfs/dbraw/zinc/32/03/05/250320305.db2.gz VDRBKEMMNGKDGO-TZMCWYRMSA-N 0 3 362.455 0.578 20 30 FCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCC[C@@H]3CCO)CC2)o1 ZINC000109785941 208262264 /nfs/dbraw/zinc/26/22/64/208262264.db2.gz DQFPVXDBILNZSX-OAHLLOKOSA-N 0 3 361.446 0.740 20 30 FCEDHN C[C@@H](C#N)CN(C)S(=O)(=O)Nc1ccc(OC[C@H](O)CN(C)C)cc1 ZINC000410135346 533147254 /nfs/dbraw/zinc/14/72/54/533147254.db2.gz NCSORTGAAJFGOP-DZGCQCFKSA-N 0 3 370.475 0.736 20 30 FCEDHN CCN(CC)CCNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000177023507 209013619 /nfs/dbraw/zinc/01/36/19/209013619.db2.gz SAGFZVYSJUSFOJ-UHFFFAOYSA-N 0 3 369.429 0.595 20 30 FCEDHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC000088820531 229155543 /nfs/dbraw/zinc/15/55/43/229155543.db2.gz GMEBZHXLCLLEIG-UHFFFAOYSA-N 0 3 358.402 0.919 20 30 FCEDHN CN(C)CCNC(=O)Cn1cc(NC(=O)CNc2cccc(C#N)c2)cn1 ZINC000162686716 229200067 /nfs/dbraw/zinc/20/00/67/229200067.db2.gz QGEWTILSODONIY-UHFFFAOYSA-N 0 3 369.429 0.483 20 30 FCEDHN Cc1cccc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1C#N ZINC000174902846 229213900 /nfs/dbraw/zinc/21/39/00/229213900.db2.gz HVBMLXLXIHHNEK-CQSZACIVSA-N 0 3 357.458 0.805 20 30 FCEDHN N#C[C@@H]1CN(S(=O)(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)CCO1 ZINC000409485258 230020848 /nfs/dbraw/zinc/02/08/48/230020848.db2.gz JTFFGRVLXOJIGQ-NUEKZKHPSA-N 0 3 354.476 0.404 20 30 FCEDHN CN(C)CCNC(=O)Cn1cc(NC(=O)Nc2ccn(CCC#N)n2)cn1 ZINC000470403203 484091036 /nfs/dbraw/zinc/09/10/36/484091036.db2.gz HXPJQSWTALJSMY-UHFFFAOYSA-N 0 3 373.421 0.315 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCCOCCO)cc1 ZINC000287478928 488872984 /nfs/dbraw/zinc/87/29/84/488872984.db2.gz YUUSSUDWPBWOHG-GFCCVEGCSA-N 0 3 355.416 0.893 20 30 FCEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)CC1 ZINC000287539330 488879416 /nfs/dbraw/zinc/87/94/16/488879416.db2.gz GUMWPZPCRQRDNK-KBXCAEBGSA-N 0 3 363.462 0.799 20 30 FCEDHN 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C=CCN(Cc1cccs1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659748076 493284185 /nfs/dbraw/zinc/28/41/85/493284185.db2.gz OCNDCBWXGQACSL-UHFFFAOYSA-N 0 3 361.427 0.533 20 30 FCEDHN C=CCN1CC[C@@H](N(C)C(=O)C(C)S(=O)(=O)C2CCOCC2)C1=O ZINC000684939940 493438912 /nfs/dbraw/zinc/43/89/12/493438912.db2.gz JAVQSFJEZRLFPC-GXTWGEPZSA-N 0 3 358.460 0.214 20 30 FCEDHN C=CCN1CC[C@H](N(C)C(=O)C(C)S(=O)(=O)C2CCOCC2)C1=O ZINC000684939942 493439376 /nfs/dbraw/zinc/43/93/76/493439376.db2.gz JAVQSFJEZRLFPC-JSGCOSHPSA-N 0 3 358.460 0.214 20 30 FCEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCNC(=O)C[C@@H]1C)C(C)C ZINC000671081979 493630762 /nfs/dbraw/zinc/63/07/62/493630762.db2.gz CNQZZPURPWASDT-HOTGVXAUSA-N 0 3 364.490 0.538 20 30 FCEDHN C=CCN1C(=O)C(=O)N(Cc2nc(C3C[C@H]4CC[C@@H](C3)N4C)no2)C1=O ZINC000680777449 493730007 /nfs/dbraw/zinc/73/00/07/493730007.db2.gz FXJVGIYKUJYTFR-YOGCLGLASA-N 0 3 359.386 0.887 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)CC1 ZINC000672355278 493758776 /nfs/dbraw/zinc/75/87/76/493758776.db2.gz WJEQEWLXJRATCN-JKSUJKDBSA-N 0 3 351.447 0.159 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2C[C@H](C(F)(F)F)O[C@@H](C)C2)CC1 ZINC000672355161 493758788 /nfs/dbraw/zinc/75/87/88/493758788.db2.gz MIECCQUPACYDMM-WCQYABFASA-N 0 3 363.380 0.931 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CCC(CO)(OC)CC2)CC1 ZINC000672356259 493758994 /nfs/dbraw/zinc/75/89/94/493758994.db2.gz LGSUEMNKSMTHIP-UHFFFAOYSA-N 0 3 353.463 0.143 20 30 FCEDHN N#Cc1cccc(NCC(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000158538247 534808487 /nfs/dbraw/zinc/80/84/87/534808487.db2.gz SMAAHAPSGKHNSX-UHFFFAOYSA-N 0 3 355.442 0.737 20 30 FCEDHN C[NH+]=C(NCc1ccc([O-])c(F)c1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000155828736 526382163 /nfs/dbraw/zinc/38/21/63/526382163.db2.gz BJUDPYYFXYRATN-UHFFFAOYSA-N 0 3 360.393 0.689 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CC1 ZINC000266658295 526418383 /nfs/dbraw/zinc/41/83/83/526418383.db2.gz GZLVWOOYQLMCGT-UHFFFAOYSA-N 0 3 355.402 0.367 20 30 FCEDHN C=CCN1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000171736896 526426722 /nfs/dbraw/zinc/42/67/22/526426722.db2.gz AICXRJJTLOQZMK-INIZCTEOSA-N 0 3 350.463 0.670 20 30 FCEDHN C=CCN1CCC(NC(=O)N2CCN(c3cc(OC)ncn3)CC2)CC1 ZINC000183598150 526427405 /nfs/dbraw/zinc/42/74/05/526427405.db2.gz AJLRHOGOMJDHOE-UHFFFAOYSA-N 0 3 360.462 0.967 20 30 FCEDHN C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C[NH2+]C)C2)ccc1F ZINC000178965534 526664944 /nfs/dbraw/zinc/66/49/44/526664944.db2.gz JASXLBBBXVRJOJ-GFCCVEGCSA-N 0 3 355.435 0.972 20 30 FCEDHN C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C[NH2+]C)C2)ccc1F ZINC000178965525 526665637 /nfs/dbraw/zinc/66/56/37/526665637.db2.gz JASXLBBBXVRJOJ-LBPRGKRZSA-N 0 3 355.435 0.972 20 30 FCEDHN C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCN(C)CCCOC ZINC000266578117 527088248 /nfs/dbraw/zinc/08/82/48/527088248.db2.gz AQGMIWNDTYYVEX-UHFFFAOYSA-N 0 3 365.405 0.861 20 30 FCEDHN C#CCOc1ccccc1NC(=O)C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000185657587 527132449 /nfs/dbraw/zinc/13/24/49/527132449.db2.gz 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SNZKYAIGAHZEBI-UHFFFAOYSA-N 0 3 367.417 0.987 20 30 FCEDHN C[N@H+](CCCc1[nH]nc(N)c1C#N)CCOc1cccc(-c2nn[n-]n2)c1 ZINC000825938421 608034920 /nfs/dbraw/zinc/03/49/20/608034920.db2.gz SNZKYAIGAHZEBI-UHFFFAOYSA-N 0 3 367.417 0.987 20 30 FCEDHN C[N@@H+](CCCc1[nH]nc(N)c1C#N)CCOc1cccc(-c2nn[n-]n2)c1 ZINC000825938421 608034921 /nfs/dbraw/zinc/03/49/21/608034921.db2.gz SNZKYAIGAHZEBI-UHFFFAOYSA-N 0 3 367.417 0.987 20 30 FCEDHN C=C(C)CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)C1 ZINC000972431612 663533001 /nfs/dbraw/zinc/53/30/01/663533001.db2.gz SOZUHZQGSJVLPT-LMMKCTJWSA-N 0 3 351.491 0.975 20 30 FCEDHN CC[C@@H](CN1CCOCC1)NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000905551678 666029456 /nfs/dbraw/zinc/02/94/56/666029456.db2.gz KKMUEWXEKWPPQE-HNNXBMFYSA-N 0 3 352.460 0.427 20 30 FCEDHN C=CCc1ccc(OC[C@@H](O)CN[C@@H]2CCS(=O)(=O)C2)c(OC)c1 ZINC000912761350 666475208 /nfs/dbraw/zinc/47/52/08/666475208.db2.gz OHQNLZGHVJMCOB-CABCVRRESA-N 0 3 355.456 0.940 20 30 FCEDHN CN(C)CC#CCNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000913517821 666531841 /nfs/dbraw/zinc/53/18/41/666531841.db2.gz QYXLUBORPAGXDA-UHFFFAOYSA-N 0 3 370.500 0.047 20 30 FCEDHN CO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC000941901233 666683096 /nfs/dbraw/zinc/68/30/96/666683096.db2.gz LSDRMRHIQMLVBN-RBSFLKMASA-N 0 3 350.463 0.753 20 30 FCEDHN C[C@@H](Oc1ccccc1)C(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000732910393 666911447 /nfs/dbraw/zinc/91/14/47/666911447.db2.gz OUAYBWAJIPHHAP-OCCSQVGLSA-N 0 3 350.396 0.420 20 30 FCEDHN C#CCN1CCC(C(=O)NC[C@@H]2CN(C(=O)CSC)C[C@H]2C)CC1 ZINC000994138182 666974621 /nfs/dbraw/zinc/97/46/21/666974621.db2.gz ZGOGXSNHLXWXJV-GDBMZVCRSA-N 0 3 351.516 0.905 20 30 FCEDHN C#C[C@H](NCCC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@@H]1CCCO1 ZINC000839564589 667701071 /nfs/dbraw/zinc/70/10/71/667701071.db2.gz RRCDKFPKGVTIFS-GJZGRUSLSA-N 0 3 351.428 0.433 20 30 FCEDHN C#CCN(C)CCCNC(=O)N1CCN(CC(=O)N(CC)CC)CC1 ZINC000838622200 667946145 /nfs/dbraw/zinc/94/61/45/667946145.db2.gz AFIRDCRFWLDDDI-UHFFFAOYSA-N 0 3 351.495 0.137 20 30 FCEDHN C#CCN(C)CCCNC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 ZINC000838624198 667946277 /nfs/dbraw/zinc/94/62/77/667946277.db2.gz LPOJBYOPXIMYBF-UHFFFAOYSA-N 0 3 352.460 0.980 20 30 FCEDHN C=CCN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(C)C ZINC000839245868 667984371 /nfs/dbraw/zinc/98/43/71/667984371.db2.gz DNWUBVUHLUFNHC-OAHLLOKOSA-N 0 3 350.463 0.174 20 30 FCEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cn(CC(N)=O)nn1 ZINC000744033407 668054978 /nfs/dbraw/zinc/05/49/78/668054978.db2.gz SUEGDLPPCLJJKD-QMMMGPOBSA-N 0 3 364.724 0.517 20 30 FCEDHN CN(CC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1)S(C)(=O)=O ZINC000786564808 668764953 /nfs/dbraw/zinc/76/49/53/668764953.db2.gz OHQAUZMPHGEKNG-SNVBAGLBSA-N 0 3 359.354 0.181 20 30 FCEDHN CN(C)[C@@]1(CNC(=O)C(=O)NCc2cc(C#N)ccc2F)CCSC1 ZINC000788251998 668821425 /nfs/dbraw/zinc/82/14/25/668821425.db2.gz NDXCQGYVFXKPQO-QGZVFWFLSA-N 0 3 364.446 0.867 20 30 FCEDHN COCCNC(=O)C(C#N)C(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000789343600 668855035 /nfs/dbraw/zinc/85/50/35/668855035.db2.gz MNYNRZMXJDKURB-VXGBXAGGSA-N 0 3 351.403 0.715 20 30 FCEDHN N#Cc1ccc([C@H](O)CNCCS(=O)(=O)NC[C@H]2CCCCO2)cc1 ZINC000819052528 668974758 /nfs/dbraw/zinc/97/47/58/668974758.db2.gz FTRIGMXNKQFZNI-IAGOWNOFSA-N 0 3 367.471 0.670 20 30 FCEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000815083282 669899106 /nfs/dbraw/zinc/89/91/06/669899106.db2.gz VKWHNJJSSCTFOZ-UHFFFAOYSA-N 0 3 358.485 0.465 20 30 FCEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000815083441 669899129 /nfs/dbraw/zinc/89/91/29/669899129.db2.gz YYOTZBJJUYRDBN-UHFFFAOYSA-N 0 3 350.444 0.110 20 30 FCEDHN C#CCN(C)CCCNC(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000836247642 670040480 /nfs/dbraw/zinc/04/04/80/670040480.db2.gz AWLKCVIPJHLWJW-KRWDZBQOSA-N 0 3 354.520 0.449 20 30 FCEDHN C#C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccsc1)[C@H]1CCCO1 ZINC000817838182 670041593 /nfs/dbraw/zinc/04/15/93/670041593.db2.gz JCUYEIARKFVFAL-JKSUJKDBSA-N 0 3 363.483 0.935 20 30 FCEDHN C#CCN(C)CCCNC(=O)NCC1CCN(S(=O)(=O)CC)CC1 ZINC000836490105 670051488 /nfs/dbraw/zinc/05/14/88/670051488.db2.gz HKAIPSFKEBQBPA-UHFFFAOYSA-N 0 3 358.508 0.302 20 30 FCEDHN CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N(C)CC[NH3+] ZINC000818010695 670055877 /nfs/dbraw/zinc/05/58/77/670055877.db2.gz SRQGEFKKQDRQHK-CYBMUJFWSA-N 0 3 352.460 0.557 20 30 FCEDHN C#CCN1CCC(C(=O)NCc2cccc(S(=O)(=O)NCC)c2)CC1 ZINC000837737008 670127248 /nfs/dbraw/zinc/12/72/48/670127248.db2.gz QZFMJNVHXXMDFR-UHFFFAOYSA-N 0 3 363.483 0.946 20 30 FCEDHN C#CCN(C)CCCNS(=O)(=O)N1CCC[C@H]1C(=O)OC(C)(C)C ZINC000867311665 670756393 /nfs/dbraw/zinc/75/63/93/670756393.db2.gz UKCNRGCAOMOSBK-AWEZNQCLSA-N 0 3 359.492 0.582 20 30 FCEDHN CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@H](C)CC[NH3+] ZINC000843455806 670818322 /nfs/dbraw/zinc/81/83/22/670818322.db2.gz WCKVJRDHMQOWDK-OCCSQVGLSA-N 0 3 366.487 0.993 20 30 FCEDHN O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000843504701 670834378 /nfs/dbraw/zinc/83/43/78/670834378.db2.gz FVUZHHVQMUZEBT-GFCCVEGCSA-N 0 3 362.455 0.516 20 30 FCEDHN C[C@@H]1CCCN(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)[C@H]1CC[NH3+] ZINC000846696208 671138764 /nfs/dbraw/zinc/13/87/64/671138764.db2.gz YPAVLWHSHMWMHT-OCCSQVGLSA-N 0 3 364.471 0.701 20 30 FCEDHN C[NH2+]C[C@H](C)NC(=O)[C@@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000852919771 671532290 /nfs/dbraw/zinc/53/22/90/671532290.db2.gz BIBBOYWKMNYLJH-GXTWGEPZSA-N 0 3 366.487 0.864 20 30 FCEDHN C[C@H](CC(=O)N[C@@]1(C)CC[NH2+]C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000852928589 671532639 /nfs/dbraw/zinc/53/26/39/671532639.db2.gz PSPBEXDQTVSIBV-BZNIZROVSA-N 0 3 350.444 0.372 20 30 FCEDHN C#CCN(CC(=O)N[C@@H](CO)CN1CCCCC1)C(=O)OC(C)(C)C ZINC000854412478 671577481 /nfs/dbraw/zinc/57/74/81/671577481.db2.gz IDAADSGTYQLUQS-OAHLLOKOSA-N 0 3 353.463 0.820 20 30 FCEDHN C[C@H](CC(=O)NCC[C@@H](C)[NH+](C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000855414862 671641844 /nfs/dbraw/zinc/64/18/44/671641844.db2.gz CQTMFXNOVWWTRZ-CHWSQXEVSA-N 0 3 366.487 0.960 20 30 FCEDHN C#CC[C@@H](CCOC)NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000858283251 671756548 /nfs/dbraw/zinc/75/65/48/671756548.db2.gz FCOWGJNGXDOFIZ-HOTGVXAUSA-N 0 3 352.479 0.657 20 30 FCEDHN C[NH2+]C1(CNC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CCC1 ZINC000863923005 672161707 /nfs/dbraw/zinc/16/17/07/672161707.db2.gz IRYVYXZQBAPKTQ-LBPRGKRZSA-N 0 3 364.471 0.762 20 30 FCEDHN N#Cc1ccc(CN[C@@H]2CCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)s1 ZINC001000191055 676052683 /nfs/dbraw/zinc/05/26/83/676052683.db2.gz SWSZVTQKGSSYLK-BYCMXARLSA-N 0 3 362.455 0.733 20 30 FCEDHN CON(C)C(=O)[C@H](CCSC)NC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884173697 673432423 /nfs/dbraw/zinc/43/24/23/673432423.db2.gz CEPHZHYICCLEPA-WULFKBJJSA-N 0 3 354.476 0.383 20 30 FCEDHN N#C[C@@H]1CNCC12CC(C(=O)N[C@@H]1CS(=O)(=O)Cc3ccccc31)C2 ZINC000884425747 673452743 /nfs/dbraw/zinc/45/27/43/673452743.db2.gz QPKLRIXLQOKFQN-DYDBFVOFSA-N 0 3 359.451 0.912 20 30 FCEDHN C#CCN(C(=O)c1ccc(S(N)(=O)=O)cc1F)C1CCN(C)CC1 ZINC000886579119 673592013 /nfs/dbraw/zinc/59/20/13/673592013.db2.gz YTIFAQICYPPTIJ-UHFFFAOYSA-N 0 3 353.419 0.643 20 30 FCEDHN C#CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1)C1CCN(C)CC1 ZINC000886583396 673592161 /nfs/dbraw/zinc/59/21/61/673592161.db2.gz OSBLDCWUUDJMGO-OAHLLOKOSA-N 0 3 355.504 0.604 20 30 FCEDHN C#CCN(C(=O)c1cc(S(=O)(=O)NC)cs1)C1CCN(C)CC1 ZINC000886579780 673592364 /nfs/dbraw/zinc/59/23/64/673592364.db2.gz HVSBJYYXPZBWLV-UHFFFAOYSA-N 0 3 355.485 0.826 20 30 FCEDHN C#CCN(C(=O)CNS(=O)(=O)c1ccc(C)cc1)C1CCN(C)CC1 ZINC000886588944 673592375 /nfs/dbraw/zinc/59/23/75/673592375.db2.gz DSMKJYFAYZZDPK-UHFFFAOYSA-N 0 3 363.483 0.829 20 30 FCEDHN C#CCN1CCC(C(=O)NCCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000890485804 673718172 /nfs/dbraw/zinc/71/81/72/673718172.db2.gz AZGRRKJYJLXFMD-UHFFFAOYSA-N 0 3 363.483 0.728 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCN(C)C[C@@H]2CC(C)C)CC1 ZINC000930007288 673992104 /nfs/dbraw/zinc/99/21/04/673992104.db2.gz OHPIJXYJNMRPKA-KRWDZBQOSA-N 0 3 350.507 0.942 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](NCCN2CCCS2(=O)=O)C1 ZINC001019500191 675426146 /nfs/dbraw/zinc/42/61/46/675426146.db2.gz JEZKGKULMLYBEC-JYJNAYRXSA-N 0 3 371.503 0.194 20 30 FCEDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000900046846 675660823 /nfs/dbraw/zinc/66/08/23/675660823.db2.gz UCTBDMWBCVSVNC-LSDHHAIUSA-N 0 3 362.455 0.532 20 30 FCEDHN C=CCN(C(=O)CCN1CCN(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000900310371 675673603 /nfs/dbraw/zinc/67/36/03/675673603.db2.gz OZKBGRCLIRWOSY-INIZCTEOSA-N 0 3 357.520 0.604 20 30 FCEDHN N#CC(C(=O)Cc1ccc(Cl)s1)C(=O)N1CCS(=O)(=O)CC1 ZINC000802082170 675821903 /nfs/dbraw/zinc/82/19/03/675821903.db2.gz NWXUGYJNQQKQTC-JTQLQIEISA-N 0 3 360.844 0.910 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H](C)n3cccn3)[C@@H]2C)CC1 ZINC000988505936 1192238457 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YMENRGCUQPYJES-DOTOQJQBSA-N 0 3 355.442 0.428 20 30 FCEDHN C=CCN1CC[C@@H](N2C[C@@H]3CCN(C(=O)c4c(C)ncn4C)[C@@H]3C2)C1=O ZINC001075913397 1192323396 /nfs/dbraw/zinc/32/33/96/1192323396.db2.gz PUFHYNRXZFTTPC-ARFHVFGLSA-N 0 3 357.458 0.662 20 30 FCEDHN CN(C)[C@H](C(=O)N1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1)C1CC1 ZINC001021325931 1169054175 /nfs/dbraw/zinc/05/41/75/1169054175.db2.gz NUDZNHLVWVPMMC-UAGQMJEPSA-N 0 3 355.442 0.899 20 30 FCEDHN C[C@@H]1CCN(CC(=O)N2C[C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)[C@@H]3C2)C1 ZINC001021415506 1169291665 /nfs/dbraw/zinc/29/16/65/1169291665.db2.gz PCPVYPNAUZSJKC-JKIFEVAISA-N 0 3 355.442 0.901 20 30 FCEDHN C#CCN1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4cc[nH]n4)[C@@H]3C2)CC1 ZINC000971406038 1170231729 /nfs/dbraw/zinc/23/17/29/1170231729.db2.gz MOUNFMOCFZCSEX-NVXWUHKLSA-N 0 3 355.442 0.428 20 30 FCEDHN C#CCN1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4ccn[nH]4)[C@@H]3C2)CC1 ZINC000971406038 1170231737 /nfs/dbraw/zinc/23/17/37/1170231737.db2.gz MOUNFMOCFZCSEX-NVXWUHKLSA-N 0 3 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C#CCCCNC(=O)C(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000787497809 1200885836 /nfs/dbraw/zinc/88/58/36/1200885836.db2.gz ABXAUXQJYGXEPC-UHFFFAOYSA-N 0 3 370.497 0.970 20 30 FCEDHN C[C@H](CN1CCCCC1)NC(=O)C(=O)NCCNc1ccc(C#N)cn1 ZINC000787749535 1200900221 /nfs/dbraw/zinc/90/02/21/1200900221.db2.gz DCMHWCAJWNXQNN-CQSZACIVSA-N 0 3 358.446 0.472 20 30 FCEDHN CCN1CCCC[C@H]1CNC(=O)C(=O)NCCNc1ncccc1C#N ZINC000787754015 1200902171 /nfs/dbraw/zinc/90/21/71/1200902171.db2.gz AADOLDREWFGIHK-HNNXBMFYSA-N 0 3 358.446 0.472 20 30 FCEDHN CC(C)N1CCCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 ZINC000787773524 1200907359 /nfs/dbraw/zinc/90/73/59/1200907359.db2.gz AKOWZXXUDDXVKC-UHFFFAOYSA-N 0 3 358.446 0.424 20 30 FCEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCNc1ncccc1C#N ZINC000787773601 1200907564 /nfs/dbraw/zinc/90/75/64/1200907564.db2.gz BCAGFHGEMAUCGV-CVEARBPZSA-N 0 3 370.457 0.567 20 30 FCEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001086588636 1201096373 /nfs/dbraw/zinc/09/63/73/1201096373.db2.gz GDJQKDTVNGSASH-JKSUJKDBSA-N 0 3 368.441 0.537 20 30 FCEDHN C[C@@H](CNC(=O)C(=O)NCCNc1ccc(C#N)cn1)N1CCCCC1 ZINC000793708793 1201254780 /nfs/dbraw/zinc/25/47/80/1201254780.db2.gz KADQNAIKZUNJRH-AWEZNQCLSA-N 0 3 358.446 0.472 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)CCCC(=O)NCC)[C@@H](n2ccnn2)C1 ZINC001129400345 1201305665 /nfs/dbraw/zinc/30/56/65/1201305665.db2.gz JBEQEOFHEUTVMX-CVEARBPZSA-N 0 3 362.478 0.892 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)c2ccc(C(N)=O)cc2)[C@@H](n2ccnn2)C1 ZINC001129438008 1201316130 /nfs/dbraw/zinc/31/61/30/1201316130.db2.gz KUIKNSDLQSDHQG-SJORKVTESA-N 0 3 368.441 0.999 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)CCNC(=O)CC(C)C)[C@@H](n2ccnn2)C1 ZINC001129502892 1201328767 /nfs/dbraw/zinc/32/87/67/1201328767.db2.gz GGBVZBMLEWDBLF-CVEARBPZSA-N 0 3 362.478 0.748 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)CNC(=O)C(CC)CC)[C@@H](n2ccnn2)C1 ZINC001129503296 1201329100 /nfs/dbraw/zinc/32/91/00/1201329100.db2.gz PXERRDSJGUKLPY-CVEARBPZSA-N 0 3 362.478 0.748 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)[C@H](C)N2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129502900 1201329273 /nfs/dbraw/zinc/32/92/73/1201329273.db2.gz GLQCSQLYRJNOLC-BBWFWOEESA-N 0 3 362.478 0.307 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)N1C[C@@H](NCCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001129795258 1201391339 /nfs/dbraw/zinc/39/13/39/1201391339.db2.gz DJUQKDBYACGZDT-SOLBZPMBSA-N 0 3 363.462 0.516 20 30 FCEDHN CC(C)OCCN[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1n1ccnn1 ZINC001129775242 1201394578 /nfs/dbraw/zinc/39/45/78/1201394578.db2.gz UUVZOGXNADADGG-CVEARBPZSA-N 0 3 357.418 0.558 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(CC(N)=O)C[C@H]2c2ccccc2)CC1 ZINC001086624920 1201396406 /nfs/dbraw/zinc/39/64/06/1201396406.db2.gz AYIMALWGWHGUHW-RBUKOAKNSA-N 0 3 368.481 0.401 20 30 FCEDHN O=C(C#CC1CC1)N1C[C@@H](NCCO[C@H]2CC2(F)F)[C@@H](n2ccnn2)C1 ZINC001129817342 1201400925 /nfs/dbraw/zinc/40/09/25/1201400925.db2.gz XOAMENIAJBRRCW-ILXRZTDVSA-N 0 3 365.384 0.457 20 30 FCEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C ZINC001129802141 1201403523 /nfs/dbraw/zinc/40/35/23/1201403523.db2.gz APCCIOSIFVOMEX-RRFJBIMHSA-N 0 3 363.462 0.284 20 30 FCEDHN C#CCOCCC(=O)N1C[C@@H](NCCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001129838508 1201410449 /nfs/dbraw/zinc/41/04/49/1201410449.db2.gz XPNWTVIXHSYMDF-SJORKVTESA-N 0 3 361.446 0.229 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCCc3nccn32)C[C@@H]1n1ccnn1 ZINC001129892480 1201416236 /nfs/dbraw/zinc/41/62/36/1201416236.db2.gz ZKZRWCHKRYUCLE-PMPSAXMXSA-N 0 3 353.430 0.417 20 30 FCEDHN CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc3nn[n-]c32)C[C@@H]1n1ccnn1 ZINC001129871377 1201417872 /nfs/dbraw/zinc/41/78/72/1201417872.db2.gz HUZSZAJXQOGUIP-CABCVRRESA-N 0 3 350.386 0.228 20 30 FCEDHN C=CCN(CC=C)C(=O)CN1C[C@@H](NC(=O)C(C)(C)N(C)CC)[C@@H](O)C1 ZINC001219896767 1224672831 /nfs/dbraw/zinc/67/28/31/1224672831.db2.gz IKGABYHHGABJLJ-CVEARBPZSA-N 0 3 366.506 0.079 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)COCCOc2ccccc2)C[C@@H]1n1ccnn1 ZINC001129923446 1201443043 /nfs/dbraw/zinc/44/30/43/1201443043.db2.gz CQTPVQDTCVNGMB-MSOLQXFVSA-N 0 3 371.441 0.901 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2c(C)n[nH]c2C)C[C@@H]1n1ccnn1 ZINC001130044020 1201485071 /nfs/dbraw/zinc/48/50/71/1201485071.db2.gz LTYMXBWPQAMMSG-CABCVRRESA-N 0 3 359.434 0.476 20 30 FCEDHN O=C(N=C(NO)c1ccc(OC(F)(F)F)cc1)[C@@H]1COC2(CNC2)CN1 ZINC001219914314 1224679371 /nfs/dbraw/zinc/67/93/71/1224679371.db2.gz NZYMDWIDLWTLLJ-NSHDSACASA-N 0 3 374.319 0.168 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ncoc2CC)[n-]1 ZINC001130198515 1201534148 /nfs/dbraw/zinc/53/41/48/1201534148.db2.gz NTGQWNVYBGKOSQ-AAEUAGOBSA-N 0 3 358.402 0.380 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2nccn2CC)[n-]1 ZINC001130207916 1201543356 /nfs/dbraw/zinc/54/33/56/1201543356.db2.gz WFRCOPGJDDRGNN-STQMWFEESA-N 0 3 357.418 0.046 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)c(C)cn2)[n-]1 ZINC001130230367 1201556826 /nfs/dbraw/zinc/55/68/26/1201556826.db2.gz VFEYFVYIQCMCKE-HOCLYGCPSA-N 0 3 368.441 0.842 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c[nH]nc2C2CC2)[n-]1 ZINC001130246329 1201566048 /nfs/dbraw/zinc/56/60/48/1201566048.db2.gz FUMZNVMRLMSDRG-JSGCOSHPSA-N 0 3 369.429 0.431 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)CCCOC)[n-]1 ZINC001130247232 1201567042 /nfs/dbraw/zinc/56/70/42/1201567042.db2.gz ZLQKSYMARHQZML-ILXRZTDVSA-N 0 3 363.462 0.579 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)n(C)c2C)[n-]1 ZINC001130249170 1201569314 /nfs/dbraw/zinc/56/93/14/1201569314.db2.gz NJDIHZCEXBBKPG-HOCLYGCPSA-N 0 3 370.457 0.785 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2[nH]cnc2C)[n-]1 ZINC001130253914 1201571009 /nfs/dbraw/zinc/57/10/09/1201571009.db2.gz VWXBOXKUMWZQHO-STQMWFEESA-N 0 3 357.418 0.252 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)NC(C)=O)CC1 ZINC001130269184 1201573824 /nfs/dbraw/zinc/57/38/24/1201573824.db2.gz CVYNUQINNXJVNW-XCRHUMRWSA-N 0 3 362.474 0.010 20 30 FCEDHN C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2c[nH]cn2)CC1 ZINC001130290564 1201578083 /nfs/dbraw/zinc/57/80/83/1201578083.db2.gz DPMMHMAHASHYCI-APWZRJJASA-N 0 3 357.458 0.451 20 30 FCEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)[C@@H](O)C1 ZINC001220047534 1224736918 /nfs/dbraw/zinc/73/69/18/1224736918.db2.gz CEQZZZKDLBQFQG-XHSDSOJGSA-N 0 3 361.446 0.273 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]cn2)C[C@H]1c1cn(C)cn1 ZINC001130689995 1202754518 /nfs/dbraw/zinc/75/45/18/1202754518.db2.gz RCGZGLXXRIANEC-UWWQBHOKSA-N 0 3 354.458 0.929 20 30 FCEDHN N#CCOc1ccc(CN2C[C@@H]3CCC[C@]3(NC(=O)CC(N)=O)C2)cc1 ZINC001111678619 1202768149 /nfs/dbraw/zinc/76/81/49/1202768149.db2.gz MVYCJONPZSIJRP-KXBFYZLASA-N 0 3 356.426 0.935 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CC[C@]2(C)CCC(=O)N2)C[C@H]1c1cn(C)cn1 ZINC001130746842 1202775097 /nfs/dbraw/zinc/77/50/97/1202775097.db2.gz LCXYFQNTJSCOES-GMBSWORKSA-N 0 3 359.474 0.939 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cn(C)nc3C)n[n-]2)O1 ZINC001130775242 1202783318 /nfs/dbraw/zinc/78/33/18/1202783318.db2.gz PXKQFKHFEGRZAG-DZGCQCFKSA-N 0 3 371.445 0.610 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cn(C)nc3C)n2)O1 ZINC001130775242 1202783321 /nfs/dbraw/zinc/78/33/21/1202783321.db2.gz PXKQFKHFEGRZAG-DZGCQCFKSA-N 0 3 371.445 0.610 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)OCC(C)C)n[n-]2)O1 ZINC001130765618 1202784357 /nfs/dbraw/zinc/78/43/57/1202784357.db2.gz ZTEPYLIWQSCDAS-SOUVJXGZSA-N 0 3 363.462 0.925 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@H](C)OCC(C)C)n2)O1 ZINC001130765618 1202784359 /nfs/dbraw/zinc/78/43/59/1202784359.db2.gz ZTEPYLIWQSCDAS-SOUVJXGZSA-N 0 3 363.462 0.925 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3oc(C)nc3C)n[n-]2)O1 ZINC001130772148 1202787538 /nfs/dbraw/zinc/78/75/38/1202787538.db2.gz ARXQUDCYGBCUNR-QWHCGFSZSA-N 0 3 358.402 0.782 20 30 FCEDHN 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ZINC001041178856 1214737553 /nfs/dbraw/zinc/73/75/53/1214737553.db2.gz VVZJGJJTGDNSHB-NUEKZKHPSA-N 0 3 358.446 0.278 20 30 FCEDHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1O ZINC000965982575 1215155585 /nfs/dbraw/zinc/15/55/85/1215155585.db2.gz MROKBOOILDOIAM-PMPSAXMXSA-N 0 3 359.430 0.062 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC3(F)F)C[C@@H]2O)CC1 ZINC000966004637 1215159615 /nfs/dbraw/zinc/15/96/15/1215159615.db2.gz NWSTZNWCVWANTB-ZNMIVQPWSA-N 0 3 369.412 0.065 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)/C=C/c3ccc[nH]3)C[C@@H]2O)CC1 ZINC000966004666 1215159651 /nfs/dbraw/zinc/15/96/51/1215159651.db2.gz OVPFRGQYMIFYTA-VGRIIWOTSA-N 0 3 370.453 0.061 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@]3(C)C=CCC3)C[C@@H]2O)CC1 ZINC000966006759 1215160011 /nfs/dbraw/zinc/16/00/11/1215160011.db2.gz BSAYSUSIJJTWMB-FUHIMQAGSA-N 0 3 359.470 0.376 20 30 FCEDHN COc1ccc(CNC[C@@H]2CN(C(=O)[C@]34C[C@H]3COC4)CCO2)cc1C#N ZINC001051628615 1216470816 /nfs/dbraw/zinc/47/08/16/1216470816.db2.gz YGIODDGCTOIWPT-QKLQHJQFSA-N 0 3 371.437 0.920 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CCO)CCNC(=O)Cc1nc[nH]c1C ZINC001057723826 1216515657 /nfs/dbraw/zinc/51/56/57/1216515657.db2.gz MZKRLLQVZVQUJN-YOEHRIQHSA-N 0 3 364.446 0.179 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CCO)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001057725871 1216518692 /nfs/dbraw/zinc/51/86/92/1216518692.db2.gz UXOYJEAIHBOORA-RYRKJORJSA-N 0 3 367.490 0.247 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001057733229 1216523936 /nfs/dbraw/zinc/52/39/36/1216523936.db2.gz FIZFTIZZJFTUIT-IXDOHACOSA-N 0 3 369.506 0.491 20 30 FCEDHN CN(C)[C@@H](C(=O)N1C[C@H]2CN(c3ccc(C#N)nn3)C[C@@]2(C)C1)C1CC1 ZINC001052462677 1216557345 /nfs/dbraw/zinc/55/73/45/1216557345.db2.gz HLQPGXHUAYNMMW-BJZITVGISA-N 0 3 354.458 0.973 20 30 FCEDHN CN(C)[C@@H](C(=O)N1C[C@H]2CN(c3ccnc(C#N)n3)C[C@@]2(C)C1)C1CC1 ZINC001052462595 1216558120 /nfs/dbraw/zinc/55/81/20/1216558120.db2.gz GEMCXDJLUIBGCX-BJZITVGISA-N 0 3 354.458 0.973 20 30 FCEDHN CN(C)[C@@H](C(=O)N1C[C@H]2CN(c3cnc(C#N)cn3)C[C@@]2(C)C1)C1CC1 ZINC001052463283 1216558551 /nfs/dbraw/zinc/55/85/51/1216558551.db2.gz QMUMIAYZKYOSMG-BJZITVGISA-N 0 3 354.458 0.973 20 30 FCEDHN N#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)c3cccc4n[nH]cc43)C[C@@H]21 ZINC001223229806 1225691861 /nfs/dbraw/zinc/69/18/61/1225691861.db2.gz FDCOGTZUIJETBE-DYVFJYSZSA-N 0 3 366.425 0.739 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1COC2(CN(C(=O)CN(CC)CC)C2)C1 ZINC001069045868 1216775816 /nfs/dbraw/zinc/77/58/16/1216775816.db2.gz ZLNZOSAKXQCJKH-XHSDSOJGSA-N 0 3 365.474 0.405 20 30 FCEDHN C=CCOCCN1CC[C@@H]2CCN(C(=O)c3ccn4nnnc4c3)C[C@@H]21 ZINC001223245699 1225693812 /nfs/dbraw/zinc/69/38/12/1225693812.db2.gz FMHCQDJFUWPXLY-ZBFHGGJFSA-N 0 3 356.430 0.863 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)[C@@H](n2ccnn2)C1 ZINC001069960323 1216868624 /nfs/dbraw/zinc/86/86/24/1216868624.db2.gz QSMWKDZZWSYUED-OAGGEKHMSA-N 0 3 360.462 0.454 20 30 FCEDHN COCC#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CN(C(C)C)CCO3)C[C@@H]21 ZINC001223353619 1225699516 /nfs/dbraw/zinc/69/95/16/1225699516.db2.gz IAIVCBYXWAXCTB-QYZOEREBSA-N 0 3 363.502 0.668 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)C[C@@H]2CCCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001069974561 1216878872 /nfs/dbraw/zinc/87/88/72/1216878872.db2.gz FLMKFUQCMDHBLA-XHSDSOJGSA-N 0 3 360.462 0.645 20 30 FCEDHN C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@@H](n2ccnn2)C1 ZINC001070003359 1216892217 /nfs/dbraw/zinc/89/22/17/1216892217.db2.gz RFUWXYMKWHBMFV-KGLIPLIRSA-N 0 3 357.418 0.704 20 30 FCEDHN C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2c(C)nc[n-]c2=O)[C@@H](n2ccnn2)C1 ZINC001070003359 1216892219 /nfs/dbraw/zinc/89/22/19/1216892219.db2.gz RFUWXYMKWHBMFV-KGLIPLIRSA-N 0 3 357.418 0.704 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)[C@H]2CCc3cnc(C)n3C2)[C@@H](n2ccnn2)C1 ZINC001070008958 1216895653 /nfs/dbraw/zinc/89/56/53/1216895653.db2.gz AZILLZZEOFYHGQ-JQHSSLGASA-N 0 3 369.473 0.963 20 30 FCEDHN 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C#CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)C2)C1 ZINC001041670431 1217351680 /nfs/dbraw/zinc/35/16/80/1217351680.db2.gz HXBQNPPSJOSUHI-FUHIMQAGSA-N 0 3 359.470 0.714 20 30 FCEDHN C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001042680710 1217444614 /nfs/dbraw/zinc/44/46/14/1217444614.db2.gz KSVJWTVPOZHTPM-KTCJTLTRSA-N 0 3 368.441 0.152 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@H]2OC)CC1 ZINC001042842631 1217479773 /nfs/dbraw/zinc/47/97/73/1217479773.db2.gz BERBUBIWTDKTNE-IAGOWNOFSA-N 0 3 368.441 0.013 20 30 FCEDHN CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001042943643 1217524537 /nfs/dbraw/zinc/52/45/37/1217524537.db2.gz RIQQKWKEFFTTFZ-HUUCEWRRSA-N 0 3 358.446 0.542 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(O)CN(C(=O)CN2CCC[C@H]2C)C1 ZINC001043257505 1217615079 /nfs/dbraw/zinc/61/50/79/1217615079.db2.gz RZFNBPAZBGITRZ-OAGGEKHMSA-N 0 3 365.474 0.141 20 30 FCEDHN Cc1cc(C#N)nc(N2C[C@H]3OCCN(C(=O)CN4CCC[C@@H]4C)[C@H]3C2)n1 ZINC001043790130 1217743563 /nfs/dbraw/zinc/74/35/63/1217743563.db2.gz BMNYQGXYHGBOEZ-BHYGNILZSA-N 0 3 370.457 0.557 20 30 FCEDHN Cc1cc(N2C[C@H]3OCCN(C(=O)Cc4c[nH]cn4)[C@H]3C2)c(C#N)cn1 ZINC001043804923 1217748638 /nfs/dbraw/zinc/74/86/38/1217748638.db2.gz MTZQIZBIXWIGSP-DLBZAZTESA-N 0 3 352.398 0.644 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(c3nc(C)nc(C)c3C)C[C@@H]2O)CC1 ZINC001043988667 1217787123 /nfs/dbraw/zinc/78/71/23/1217787123.db2.gz IBDZNYWTSYDXNH-MSOLQXFVSA-N 0 3 371.485 0.413 20 30 FCEDHN Cc1cc(C#N)nc(N2C[C@@H](NC(=O)[C@@H](C3CC3)N3CCCC3)[C@@H](O)C2)n1 ZINC001044334314 1217836111 /nfs/dbraw/zinc/83/61/11/1217836111.db2.gz TWCGJFUIXPRURV-IXDOHACOSA-N 0 3 370.457 0.197 20 30 FCEDHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(c2cc(C)ncc2C#N)C[C@@H]1O ZINC001044703179 1217872137 /nfs/dbraw/zinc/87/21/37/1217872137.db2.gz GFLHLYXEUHXEAA-NUJGCVRESA-N 0 3 357.458 0.802 20 30 FCEDHN COc1ccc(C#N)cc1CNC[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001045204330 1217910821 /nfs/dbraw/zinc/91/08/21/1217910821.db2.gz HTEOGNLZABINSK-XHSDSOJGSA-N 0 3 356.426 0.769 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccnc(C#N)n2)CC1 ZINC001045503661 1217935162 /nfs/dbraw/zinc/93/51/62/1217935162.db2.gz BAKRQYPTLYRRAH-IAGOWNOFSA-N 0 3 366.469 0.955 20 30 FCEDHN CCN(CC)CC(=O)N1CCN(C(=O)c2cccc(C#CCO)c2)CC1 ZINC000900575413 1218007537 /nfs/dbraw/zinc/00/75/37/1218007537.db2.gz WPRQMQKGTOGOBX-UHFFFAOYSA-N 0 3 357.454 0.657 20 30 FCEDHN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccnn1CCN(C)C ZINC000901017958 1218070460 /nfs/dbraw/zinc/07/04/60/1218070460.db2.gz CGZHBITYKJMDAI-AWEZNQCLSA-N 0 3 368.445 0.457 20 30 FCEDHN C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)CCc2nnc[n-]2)C1=O ZINC001225606599 1225816973 /nfs/dbraw/zinc/81/69/73/1225816973.db2.gz HEPJLWNIYWORKA-RBSFLKMASA-N 0 3 360.462 0.541 20 30 FCEDHN C#CCCCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001225752467 1225821137 /nfs/dbraw/zinc/82/11/37/1225821137.db2.gz IYWCXKNVOJSJOS-HZPDHXFCSA-N 0 3 362.474 0.155 20 30 FCEDHN N#Cc1cnc(C(=O)N2CCC3(CN(CCn4ccnc4)C3)CC2)cn1 ZINC001277061229 1225818455 /nfs/dbraw/zinc/81/84/55/1225818455.db2.gz LPJAVOLEPFKXEE-UHFFFAOYSA-N 0 3 351.414 0.783 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cncnc1 ZINC001225810364 1225824973 /nfs/dbraw/zinc/82/49/73/1225824973.db2.gz KKIJBRKDVHYPPV-ZIAGYGMSSA-N 0 3 360.418 0.119 20 30 FCEDHN C[C@@H]1CCN(CC(=O)N2C[C@H]3CCN(c4cncc(C#N)n4)C[C@H]3C2)C1 ZINC001049684951 1218520173 /nfs/dbraw/zinc/52/01/73/1218520173.db2.gz OUHPVTOOXLGUQX-OAGGEKHMSA-N 0 3 354.458 0.975 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@](C)(O)C=C ZINC001225946809 1225829001 /nfs/dbraw/zinc/82/90/01/1225829001.db2.gz LKTOXWGBSYJNJK-HBUWYVDXSA-N 0 3 366.462 0.342 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@@H](C)c2nnnn2C)CC1 ZINC001096608212 1218576497 /nfs/dbraw/zinc/57/64/97/1218576497.db2.gz RCDUQRWFAPIOKS-ORQFMDKSSA-N 0 3 371.489 0.338 20 30 FCEDHN Cn1cc(N2CC[C@H](N[C@@H]3CCCC[C@H]3NC(=O)C#CC3CC3)C2=O)cn1 ZINC001226126815 1225834144 /nfs/dbraw/zinc/83/41/44/1225834144.db2.gz SLYAUGRFYMFQQR-KURKYZTESA-N 0 3 369.469 0.956 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn2c(n1)CCCC2 ZINC001226542125 1225846236 /nfs/dbraw/zinc/84/62/36/1225846236.db2.gz PHJUZMJXTZKESN-ZIAGYGMSSA-N 0 3 358.446 0.490 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC(=O)N(C(C)C)C1 ZINC001226563437 1225846632 /nfs/dbraw/zinc/84/66/32/1225846632.db2.gz AUJGSSUZXFEQQK-BZUAXINKSA-N 0 3 362.474 0.010 20 30 FCEDHN C=C(C)[C@H](CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NC)OCC ZINC001226555302 1225846702 /nfs/dbraw/zinc/84/67/02/1225846702.db2.gz ZGKCQKYOEFHEBG-KFWWJZLASA-N 0 3 368.478 0.830 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC(=O)N(C(C)C)C1 ZINC001226564010 1225846966 /nfs/dbraw/zinc/84/69/66/1225846966.db2.gz GTYWMTCHNUEWOO-BZUAXINKSA-N 0 3 364.490 0.563 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccn(CC(F)F)n1 ZINC001226958491 1225859504 /nfs/dbraw/zinc/85/95/04/1225859504.db2.gz UTLOGPJDWAOOIT-VXGBXAGGSA-N 0 3 368.388 0.419 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc2cccn2cn1 ZINC001227007301 1225860659 /nfs/dbraw/zinc/86/06/59/1225860659.db2.gz YIWGGMFZDPNWSH-HUUCEWRRSA-N 0 3 354.414 0.605 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2nccn2C1 ZINC001227176282 1225865564 /nfs/dbraw/zinc/86/55/64/1225865564.db2.gz VQHGQHTWWASQTH-BZUAXINKSA-N 0 3 359.474 0.765 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cccc(C(N)=O)c1 ZINC001227098788 1225863871 /nfs/dbraw/zinc/86/38/71/1225863871.db2.gz NWZNGKFXYNFRFL-HZPDHXFCSA-N 0 3 358.442 0.718 20 30 FCEDHN CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804055042 1219108129 /nfs/dbraw/zinc/10/81/29/1219108129.db2.gz CVIPRMQAASKBBP-SJORKVTESA-N 0 3 356.426 0.496 20 30 FCEDHN CN(C)C(=O)CN1CCC2(C1)CCN(C(=O)c1cc(C#N)ccn1)CC2 ZINC001277194564 1225868883 /nfs/dbraw/zinc/86/88/83/1225868883.db2.gz FDAAZRAMVRVZLS-UHFFFAOYSA-N 0 3 355.442 0.970 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cccn2nccc12 ZINC001227276329 1225869776 /nfs/dbraw/zinc/86/97/76/1225869776.db2.gz UTTHVHOOTSDPJJ-HUUCEWRRSA-N 0 3 354.414 0.605 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)[C@@H]2CCc3n[nH]nc3C2)[C@@H](n2ccnn2)C1 ZINC001070074938 1219142352 /nfs/dbraw/zinc/14/23/52/1219142352.db2.gz NUMDXGNGYLXVNP-WQVCFCJDSA-N 0 3 356.434 0.119 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cccn(C)c2=O)[C@@H](n2ccnn2)C1 ZINC001070078937 1219147765 /nfs/dbraw/zinc/14/77/65/1219147765.db2.gz YRWNGSIITOHUID-CVEARBPZSA-N 0 3 356.430 0.598 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1c(C)cc(=O)oc1C ZINC001227380909 1225871984 /nfs/dbraw/zinc/87/19/84/1225871984.db2.gz QHQOIAPNTSCNDU-HUUCEWRRSA-N 0 3 359.426 0.637 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc(Cn3cccn3)o2)C[C@@H]1n1ccnn1 ZINC001070198329 1219288465 /nfs/dbraw/zinc/28/84/65/1219288465.db2.gz ZNVAHNFCCSURQA-CVEARBPZSA-N 0 3 367.413 0.957 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2CNC(=O)c3ccccc32)C[C@@H]1n1ccnn1 ZINC001070210697 1219295349 /nfs/dbraw/zinc/29/53/49/1219295349.db2.gz WOPDJVSBBYKQBV-ZACQAIPSSA-N 0 3 366.425 0.333 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cn3c(n2)C[C@@H](C)CC3)C[C@@H]1n1ccnn1 ZINC001070217537 1219299616 /nfs/dbraw/zinc/29/96/16/1219299616.db2.gz HNBPCBOBVFJTTO-LZWOXQAQSA-N 0 3 355.446 0.898 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cnc3sccn3c2=O)C[C@@H]1n1ccnn1 ZINC001070228361 1219307786 /nfs/dbraw/zinc/30/77/86/1219307786.db2.gz WOZUSODKJUQGEQ-OLZOCXBDSA-N 0 3 371.426 0.189 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2coc3c2C(=O)NCCC3)C[C@@H]1n1ccnn1 ZINC001070239433 1219312985 /nfs/dbraw/zinc/31/29/85/1219312985.db2.gz NWNUCXRBPXAULK-KGLIPLIRSA-N 0 3 370.413 0.388 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc(-n3cncn3)nc2)C[C@@H]1n1ccnn1 ZINC001070247502 1219318029 /nfs/dbraw/zinc/31/80/29/1219318029.db2.gz YOYYFAAUIZOBFX-CABCVRRESA-N 0 3 365.401 0.095 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)CN(C)C(C)C)CCOCC1 ZINC001070260084 1219329694 /nfs/dbraw/zinc/32/96/94/1219329694.db2.gz RTDZYBWTBKSRLV-CVEARBPZSA-N 0 3 367.490 0.699 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cncc(N3CCCC3)n2)C[C@@H]1n1ccnn1 ZINC001070289748 1219352381 /nfs/dbraw/zinc/35/23/81/1219352381.db2.gz TZBDTEWNUFZTKA-CVEARBPZSA-N 0 3 368.445 0.510 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccnn2C2CCOCC2)C[C@@H]1n1ccnn1 ZINC001070292315 1219353017 /nfs/dbraw/zinc/35/30/17/1219353017.db2.gz LRXVHNAFSOTKJM-WBVHZDCISA-N 0 3 371.445 0.667 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2nc3nc(C)cc(C)n3n2)C[C@@H]1n1ccnn1 ZINC001070319803 1219373143 /nfs/dbraw/zinc/37/31/43/1219373143.db2.gz HNEQRSAEIKPLAL-KGLIPLIRSA-N 0 3 367.417 0.174 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)C(=O)Nc2cc(C)on2)C[C@@H]1n1ccnn1 ZINC001070325735 1219375677 /nfs/dbraw/zinc/37/56/77/1219375677.db2.gz OTBSDYYBEOUSTH-OLZOCXBDSA-N 0 3 359.390 0.131 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)oc3c2)C[C@@H]1n1ccnn1 ZINC001070333749 1219383187 /nfs/dbraw/zinc/38/31/87/1219383187.db2.gz SVXSJMPZSSYYMY-KGLIPLIRSA-N 0 3 354.370 0.966 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2nccnc2N)CC1 ZINC001070367070 1219398609 /nfs/dbraw/zinc/39/86/09/1219398609.db2.gz CCJHQSZTBUPUCR-HIFRSBDPSA-N 0 3 358.446 0.334 20 30 FCEDHN C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CCCCN2C)CC1 ZINC001070372701 1219402246 /nfs/dbraw/zinc/40/22/46/1219402246.db2.gz BWHWCSWGSCYUHK-LMMKCTJWSA-N 0 3 360.502 0.579 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CC(=O)N(C)C2)CC1 ZINC001070372124 1219402395 /nfs/dbraw/zinc/40/23/95/1219402395.db2.gz YLYPQAZILPQXHC-DAYGRLMNSA-N 0 3 362.474 0.126 20 30 FCEDHN C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cn2cncc2C)CC1 ZINC001070373864 1219402817 /nfs/dbraw/zinc/40/28/17/1219402817.db2.gz HQRUFZOSKDGNKX-APWZRJJASA-N 0 3 357.458 0.300 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2c[nH]c(=O)n2C)CC1 ZINC001070374971 1219403602 /nfs/dbraw/zinc/40/36/02/1219403602.db2.gz IHAJXSDPIQBSFG-CJNGLKHVSA-N 0 3 361.446 0.401 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2OCC[C@H]2C)CC1 ZINC001070378255 1219404845 /nfs/dbraw/zinc/40/48/45/1219404845.db2.gz HHINKMYQNWDCKL-JZGRTCEGSA-N 0 3 361.486 0.910 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cn2nccc2C)CC1 ZINC001070379572 1219405371 /nfs/dbraw/zinc/40/53/71/1219405371.db2.gz RHCBBYRIDKHJEM-APWZRJJASA-N 0 3 359.474 0.853 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@]2(C)CCNC2=O)CC1 ZINC001070378594 1219405480 /nfs/dbraw/zinc/40/54/80/1219405480.db2.gz XNXZXGWSLGDZCW-SIXWZSSISA-N 0 3 362.474 0.174 20 30 FCEDHN Cc1nn(C)cc1CN[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1c1cn(C)cn1 ZINC001070476363 1219426902 /nfs/dbraw/zinc/42/69/02/1219426902.db2.gz JCYDTWZKBVEDTM-YLQAJVPDSA-N 0 3 355.446 0.706 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C(C)C)C2)C[C@H]1c1cn(C)cn1 ZINC001070497566 1219439802 /nfs/dbraw/zinc/43/98/02/1219439802.db2.gz IIIBXDAXWQWFQI-YQQAZPJKSA-N 0 3 359.474 0.747 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2CCn3ccnc3C2)C[C@H]1c1cn(C)cn1 ZINC001070506443 1219443617 /nfs/dbraw/zinc/44/36/17/1219443617.db2.gz AZHBMTPVIABVEI-YQQAZPJKSA-N 0 3 354.458 0.949 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cnn3c2OCCC3)C[C@H]1c1cn(C)cn1 ZINC001070508334 1219445528 /nfs/dbraw/zinc/44/55/28/1219445528.db2.gz CQXMDVMOJZMKMF-GOEBONIOSA-N 0 3 356.430 0.783 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cnc3c(c2)nnn3C)C[C@H]1c1cn(C)cn1 ZINC001070513343 1219447935 /nfs/dbraw/zinc/44/79/35/1219447935.db2.gz IJIVWSKBFOZDKE-XJKSGUPXSA-N 0 3 366.429 0.481 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@H]2CN(C(C)C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070526029 1219453790 /nfs/dbraw/zinc/45/37/90/1219453790.db2.gz MQHLPGBCKOHJAG-CGTJXYLNSA-N 0 3 359.474 0.047 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cc3ncccn3n2)C[C@H]1c1cn(C)cn1 ZINC001070549149 1219463857 /nfs/dbraw/zinc/46/38/57/1219463857.db2.gz MUWMQDHXCAKGCU-XJKSGUPXSA-N 0 3 351.414 0.847 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CC)C[C@H]1c1cn(C)cn1 ZINC001070551670 1219465721 /nfs/dbraw/zinc/46/57/21/1219465721.db2.gz AEGRWTMXQDFJAD-YQQAZPJKSA-N 0 3 359.474 0.891 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@H]2CCc3[nH]cnc3C2)C[C@H]1c1cn(C)cn1 ZINC001070553102 1219467226 /nfs/dbraw/zinc/46/72/26/1219467226.db2.gz ZSKXQAZIZJNQJO-SUNYJGFJSA-N 0 3 352.442 0.466 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@H]2CCc3nc[nH]c3C2)C[C@H]1c1cn(C)cn1 ZINC001070553102 1219467230 /nfs/dbraw/zinc/46/72/30/1219467230.db2.gz ZSKXQAZIZJNQJO-SUNYJGFJSA-N 0 3 352.442 0.466 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2CCc3nncn3C2)C[C@H]1c1cn(C)cn1 ZINC001070566465 1219472763 /nfs/dbraw/zinc/47/27/63/1219472763.db2.gz QCHCYJXHGLMUCM-OFQRWUPVSA-N 0 3 355.446 0.344 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H](c2cccnc2)N(C)C)C[C@H]1c1cn(C)cn1 ZINC001070567984 1219473525 /nfs/dbraw/zinc/47/35/25/1219473525.db2.gz SIUGQDJYGLKZRB-QXAKKESOSA-N 0 3 366.469 0.635 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCc1nc([C@H]2COCCN2CCCF)n[nH]1 ZINC001070590030 1219479623 /nfs/dbraw/zinc/47/96/23/1219479623.db2.gz SOGRLDCEPDRSMR-MCIONIFRSA-N 0 3 367.425 0.745 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCc1n[nH]c([C@H]2COCCN2CCCF)n1 ZINC001070590030 1219479626 /nfs/dbraw/zinc/47/96/26/1219479626.db2.gz SOGRLDCEPDRSMR-MCIONIFRSA-N 0 3 367.425 0.745 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCc1nnc([C@H]2COCCN2CCCF)[nH]1 ZINC001070590030 1219479630 /nfs/dbraw/zinc/47/96/30/1219479630.db2.gz SOGRLDCEPDRSMR-MCIONIFRSA-N 0 3 367.425 0.745 20 30 FCEDHN C#CCCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@@H]2CCO[C@H]2C=C)n1 ZINC001070589892 1219480033 /nfs/dbraw/zinc/48/00/33/1219480033.db2.gz ODAWCMVWCWDFDC-ILXRZTDVSA-N 0 3 359.430 0.409 20 30 FCEDHN C#CCCN1CCOC[C@H]1c1nc(CNC(=O)[C@@H]2CCO[C@H]2C=C)n[nH]1 ZINC001070589892 1219480035 /nfs/dbraw/zinc/48/00/35/1219480035.db2.gz ODAWCMVWCWDFDC-ILXRZTDVSA-N 0 3 359.430 0.409 20 30 FCEDHN C#CCCN1CCOC[C@H]1c1nnc(CNC(=O)[C@@H]2CCO[C@H]2C=C)[nH]1 ZINC001070589892 1219480037 /nfs/dbraw/zinc/48/00/37/1219480037.db2.gz ODAWCMVWCWDFDC-ILXRZTDVSA-N 0 3 359.430 0.409 20 30 FCEDHN Cc1nc([C@H](C)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2c2cncn2C)n[nH]1 ZINC001070644766 1219504251 /nfs/dbraw/zinc/50/42/51/1219504251.db2.gz BLFUYDVEMCDJKD-APHBMKBZSA-N 0 3 367.457 0.905 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1(c2cc(C)no2)CC1 ZINC001228167860 1225898291 /nfs/dbraw/zinc/89/82/91/1225898291.db2.gz SNOKOAAITSLXPQ-HUUCEWRRSA-N 0 3 358.442 0.781 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCc3cnn(C)c3C2)C[C@H]1c1cncn1C ZINC001070681905 1219523167 /nfs/dbraw/zinc/52/31/67/1219523167.db2.gz AELAGUOWRRBUNB-DJIMGWMZSA-N 0 3 366.469 0.476 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2ccc3ncn(C)c3n2)C[C@H]1c1cncn1C ZINC001070689750 1219527084 /nfs/dbraw/zinc/52/70/84/1219527084.db2.gz NFGDDBOSCUEFLD-CZUORRHYSA-N 0 3 363.425 0.533 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C)C2)C[C@H]1c1cncn1C ZINC001070699133 1219530926 /nfs/dbraw/zinc/53/09/26/1219530926.db2.gz KAZBLOAUIFSYES-ARFHVFGLSA-N 0 3 359.474 0.749 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cc3c(cn2)OCCC3)C[C@H]1c1cncn1C ZINC001070713938 1219538653 /nfs/dbraw/zinc/53/86/53/1219538653.db2.gz SCAYACYYIOUMAR-NVXWUHKLSA-N 0 3 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/nfs/dbraw/zinc/96/48/03/1223964803.db2.gz QKNMTNXHNHGCRV-IUODEOHRSA-N 0 3 356.430 0.390 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccnc3c2CC(=O)N3)C[C@H]1C ZINC001215060373 1223969461 /nfs/dbraw/zinc/96/94/61/1223969461.db2.gz CHPAJGBZIHYFCQ-TYNCELHUSA-N 0 3 371.441 0.317 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cccn3nccc23)C[C@H]1C ZINC001215060361 1223969651 /nfs/dbraw/zinc/96/96/51/1223969651.db2.gz BZSAKCFNTRTFLW-IIAWOOMASA-N 0 3 353.426 0.522 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[nH]2)C[C@H]1C ZINC001215090652 1223972460 /nfs/dbraw/zinc/97/24/60/1223972460.db2.gz VQLGSQJDLDSESE-CXAGYDPISA-N 0 3 368.437 0.880 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)COc2c(C)occc2=O)C[C@H]1C ZINC001215114096 1223974183 /nfs/dbraw/zinc/97/41/83/1223974183.db2.gz FULZNNASTZGTGC-TZMCWYRMSA-N 0 3 363.414 0.066 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnc3c(c2)nnn3C)C[C@H]1C ZINC001215170852 1223979339 /nfs/dbraw/zinc/97/93/39/1223979339.db2.gz ASSKIOHKLDMEMJ-LALPHHSUSA-N 0 3 371.445 0.104 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cncc(-n3ccnn3)c2)C[C@H]1C ZINC001215233058 1223984728 /nfs/dbraw/zinc/98/47/28/1223984728.db2.gz WMNKTGYYJJAARQ-CZUORRHYSA-N 0 3 369.429 0.015 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)CCc2c(C)nn(C)c2C)C[C@H]1C ZINC001215260102 1223986213 /nfs/dbraw/zinc/98/62/13/1223986213.db2.gz WMTMTNQNMPIAJV-CXAGYDPISA-N 0 3 359.474 0.155 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cnc3onc(C)c3c2)C[C@H]1C ZINC001215276857 1223988070 /nfs/dbraw/zinc/98/80/70/1223988070.db2.gz CUHGMEDHQSSCQV-IAQYHMDHSA-N 0 3 357.414 0.884 20 30 FCEDHN COc1ccc2cc(C(=O)N3C[C@@H](C)[C@H](NCC(=O)NCC#N)C3)[nH]c2c1 ZINC001215283801 1223988612 /nfs/dbraw/zinc/98/86/12/1223988612.db2.gz GSUMWMXWAJUBIJ-SJKOYZFVSA-N 0 3 369.425 0.866 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2c(C)c(C)n[nH]c2=O)C[C@H]1C ZINC001215288498 1223989663 /nfs/dbraw/zinc/98/96/63/1223989663.db2.gz XUCLXKFJMHDWCS-LERXQTSPSA-N 0 3 361.446 0.540 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2coc(=O)c3ccccc23)C[C@H]1C ZINC001215289774 1223989967 /nfs/dbraw/zinc/98/99/67/1223989967.db2.gz ACABDHRAPFBVBC-CXAGYDPISA-N 0 3 367.405 0.593 20 30 FCEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1C ZINC001215309602 1223991568 /nfs/dbraw/zinc/99/15/68/1223991568.db2.gz NFDOUXBUYRWJHS-ZIAGYGMSSA-N 0 3 363.462 0.600 20 30 FCEDHN CC#CCCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC001215357344 1223993676 /nfs/dbraw/zinc/99/36/76/1223993676.db2.gz ATPQPISVMCQIDE-BZUAXINKSA-N 0 3 364.490 0.209 20 30 FCEDHN CC#CCCCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001215357673 1223994320 /nfs/dbraw/zinc/99/43/20/1223994320.db2.gz HVCMTEVXUWEQMH-IJEWVQPXSA-N 0 3 362.474 0.993 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@H]1C ZINC001215379794 1223994727 /nfs/dbraw/zinc/99/47/27/1223994727.db2.gz ZYDOVQDIRADTPX-YUDUXTHKSA-N 0 3 362.474 0.869 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)Cc2c(C)cc(C)[nH]c2=O)C[C@H]1C ZINC001215385128 1223995537 /nfs/dbraw/zinc/99/55/37/1223995537.db2.gz LVYMZQWOEOKHDC-CZUORRHYSA-N 0 3 360.458 0.685 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2ncccc2OC)C[C@H]1C ZINC001215400814 1223996994 /nfs/dbraw/zinc/99/69/94/1223996994.db2.gz CYLIULGLADAZAL-IIAWOOMASA-N 0 3 358.442 0.207 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cc(C)nc(OC)c2)C[C@H]1C ZINC001215405496 1223997286 /nfs/dbraw/zinc/99/72/86/1223997286.db2.gz QOJDSYJYGQLWEZ-IVMMDQJWSA-N 0 3 358.442 0.587 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@H]2Cc3ccccc32)C[C@H]1C ZINC001215423908 1223998838 /nfs/dbraw/zinc/99/88/38/1223998838.db2.gz WMQOZAQAYSCZNJ-XOKHGSTOSA-N 0 3 370.453 0.775 20 30 FCEDHN C=CCCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)N[C@H](C)COC)C1 ZINC001215427599 1223998857 /nfs/dbraw/zinc/99/88/57/1223998857.db2.gz DZQCUDQEUKWVPB-RBSFLKMASA-N 0 3 368.478 0.640 20 30 FCEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C ZINC001215431643 1223999029 /nfs/dbraw/zinc/99/90/29/1223999029.db2.gz IPEOSOAXAIQEJB-QLFBSQMISA-N 0 3 364.490 0.502 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2nccn3ccnc23)C[C@H]1C ZINC001215579378 1224007469 /nfs/dbraw/zinc/00/74/69/1224007469.db2.gz MKOOHOIMOHFTHO-HZSPNIEDSA-N 0 3 356.430 0.470 20 30 FCEDHN C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N(CC)CC)C1 ZINC001215802317 1224018515 /nfs/dbraw/zinc/01/85/15/1224018515.db2.gz BDRKNQNZRYCVRW-DJIMGWMZSA-N 0 3 366.506 0.762 20 30 FCEDHN C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)nc2)C[C@H]1NCC(=O)NCC#N ZINC001215961282 1224027413 /nfs/dbraw/zinc/02/74/13/1224027413.db2.gz RVNUZCMCWVFBJP-GDBMZVCRSA-N 0 3 370.457 0.372 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)CCN(C)c2ccccc2)C[C@H]1C ZINC001215982550 1224028368 /nfs/dbraw/zinc/02/83/68/1224028368.db2.gz XPNHPBIAQZDQLZ-SJLPKXTDSA-N 0 3 356.470 0.699 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2ccc(OC)o2)C[C@H]1C ZINC001216036607 1224030845 /nfs/dbraw/zinc/03/08/45/1224030845.db2.gz YIGCAUKKGAJTGX-VXGBXAGGSA-N 0 3 364.402 0.350 20 30 FCEDHN C[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)n2)C[C@H]1NCC(=O)NCC#N ZINC001216030088 1224030870 /nfs/dbraw/zinc/03/08/70/1224030870.db2.gz AKMURECZOSAMMC-ZYHUDNBSSA-N 0 3 369.347 0.790 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cnn(-c3ccncc3)c2)C[C@H]1C ZINC001216081545 1224033688 /nfs/dbraw/zinc/03/36/88/1224033688.db2.gz HGXMCCNJJIYXAK-RHSMWYFYSA-N 0 3 366.425 0.067 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@]2(C)CCCOC2)C[C@H]1C ZINC001216090357 1224033756 /nfs/dbraw/zinc/03/37/56/1224033756.db2.gz FGGDRAXNTNUVMI-LBTNJELSSA-N 0 3 366.462 0.251 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(C)nc2OCC)C[C@H]1C ZINC001216140695 1224036385 /nfs/dbraw/zinc/03/63/85/1224036385.db2.gz UNRKJSNANKMAAY-CZUORRHYSA-N 0 3 358.442 0.588 20 30 FCEDHN C[C@@H]1CN(C(=O)C(C)(C)CC2CCOCC2)C[C@H]1NCC(=O)NCC#N ZINC001216157056 1224037110 /nfs/dbraw/zinc/03/71/10/1224037110.db2.gz IOTBMKKGZROXII-GDBMZVCRSA-N 0 3 364.490 0.906 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(-c3c[nH]cn3)cc2)C[C@H]1C ZINC001216185113 1224038074 /nfs/dbraw/zinc/03/80/74/1224038074.db2.gz NDRXUIFFFXPXKG-RDTXWAMCSA-N 0 3 365.437 0.876 20 30 FCEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)CCCCC(N)=O)C[C@H]1C ZINC001216306062 1224042850 /nfs/dbraw/zinc/04/28/50/1224042850.db2.gz GBHZQDDBFPPUOJ-HZPDHXFCSA-N 0 3 366.506 0.893 20 30 FCEDHN C=CCOc1cccnc1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CC2)C1 ZINC001216313999 1224043424 /nfs/dbraw/zinc/04/34/24/1224043424.db2.gz DZWXHSRSAUEQQH-UKRRQHHQSA-N 0 3 358.442 0.975 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cnn([C@@H](C)CC)c2C)C[C@H]1C ZINC001216306692 1224043554 /nfs/dbraw/zinc/04/35/54/1224043554.db2.gz PQSXDAVQOYKJKX-JKIFEVAISA-N 0 3 359.474 0.962 20 30 FCEDHN COCc1cccc(CC(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)c1 ZINC001216345036 1224045816 /nfs/dbraw/zinc/04/58/16/1224045816.db2.gz WFRCIDTYWQVLCS-RHSMWYFYSA-N 0 3 358.442 0.452 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)CN2Cc3ccccc3C2=O)C[C@H]1C ZINC001216439236 1224051051 /nfs/dbraw/zinc/05/10/51/1224051051.db2.gz OJQKPAIGNNJKMF-RHSMWYFYSA-N 0 3 370.453 0.381 20 30 FCEDHN C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC2CC2)C1 ZINC001216439264 1224051150 /nfs/dbraw/zinc/05/11/50/1224051150.db2.gz QDFQYASWAZTASH-RHSMWYFYSA-N 0 3 370.453 0.670 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC[C@@H]3CCOC3)C2)cn1 ZINC001216455493 1224051964 /nfs/dbraw/zinc/05/19/64/1224051964.db2.gz CADTXVDSKLAPKG-RVKKMQEKSA-N 0 3 370.453 0.266 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(=O)NCC=C)C2)nc1 ZINC001216459261 1224052503 /nfs/dbraw/zinc/05/25/03/1224052503.db2.gz SUSFKEUBGGUGDM-CZUORRHYSA-N 0 3 369.425 0.125 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc3nc(C)ccc3o2)C[C@H]1C ZINC001216483141 1224053032 /nfs/dbraw/zinc/05/30/32/1224053032.db2.gz JKUIZJRXLSNFMJ-IUODEOHRSA-N 0 3 354.410 0.936 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2c(OC)cccc2OC)C[C@H]1C ZINC001216547401 1224055146 /nfs/dbraw/zinc/05/51/46/1224055146.db2.gz ABLJDUCJXOCNSQ-ZIAGYGMSSA-N 0 3 359.426 0.503 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@]2(c3ccccc3)CCCO2)C[C@H]1C ZINC001216557730 1224055233 /nfs/dbraw/zinc/05/52/33/1224055233.db2.gz XPVGUQCVWKEHBZ-HGHGUNKESA-N 0 3 369.465 0.878 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)COCc2cccnc2)C[C@H]1C ZINC001216576790 1224056142 /nfs/dbraw/zinc/05/61/42/1224056142.db2.gz MSVCVSOCOQEFPK-HLLBOEOZSA-N 0 3 358.442 0.173 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cnn3c2C[C@H](C)CC3)C[C@H]1C ZINC001216597667 1224058084 /nfs/dbraw/zinc/05/80/84/1224058084.db2.gz LOMSGNHGDFVROI-IIAWOOMASA-N 0 3 359.474 0.818 20 30 FCEDHN C[C@@H]1CN(C(=O)C[C@H]2OCc3ccccc32)C[C@H]1NCC(=O)NCC#N ZINC001216607021 1224058653 /nfs/dbraw/zinc/05/86/53/1224058653.db2.gz BFMHKKLUCGPDNV-KBRIMQKVSA-N 0 3 356.426 0.724 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2COc3ccccc3O2)C[C@H]1C ZINC001216651461 1224060338 /nfs/dbraw/zinc/06/03/38/1224060338.db2.gz 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C[C@@H]1CCCN1CC(=O)NC[C@]12CCC[C@H]1N(CC(=O)NCC#N)CC2 ZINC001107547053 1259113104 /nfs/dbraw/zinc/11/31/04/1259113104.db2.gz YYHNDMYWTPCFFL-GPMSIDNRSA-N 0 3 361.490 0.471 20 30 FCEDHN COCC#CCN1CC[C@@]2(CNC(=O)c3ccc(C(N)=O)cn3)CCC[C@@H]12 ZINC001107650916 1259144027 /nfs/dbraw/zinc/14/40/27/1259144027.db2.gz MFSUICRIVKWLHS-YLJYHZDGSA-N 0 3 370.453 0.805 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCCO[C@H]1C(C)C ZINC001127633270 1259183620 /nfs/dbraw/zinc/18/36/20/1259183620.db2.gz OTTUKAJKCAVHBZ-ILXRZTDVSA-N 0 3 368.478 0.544 20 30 FCEDHN O=C(C#CC1CC1)N[C@@H]1CN(CCC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001128985637 1259281235 /nfs/dbraw/zinc/28/12/35/1259281235.db2.gz QWQIQRKQQVSUOO-MSOLQXFVSA-N 0 3 357.458 0.850 20 30 FCEDHN C#CCOCCC(=O)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001128999422 1259286224 /nfs/dbraw/zinc/28/62/24/1259286224.db2.gz YTSKJZYVEUDCBI-ZACQAIPSSA-N 0 3 361.446 0.229 20 30 FCEDHN C#CCC1(C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2n2ccnn2)CCOCC1 ZINC001129043514 1259297361 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C#CCN(C(=O)C(=O)NCc1cccc(CN2CCN(C)CC2)c1)C(C)C ZINC001335565527 1259719966 /nfs/dbraw/zinc/71/99/66/1259719966.db2.gz MZQUQBFIDMXUMG-UHFFFAOYSA-N 0 3 370.497 0.920 20 30 FCEDHN C#CCOC[C@@H](O)CN1C[C@@H](NC(=O)c2ccncc2)[C@H]2OCCC[C@H]2C1 ZINC001251843647 1259765948 /nfs/dbraw/zinc/76/59/48/1259765948.db2.gz LJMSYJMSAHZMSS-OKYOBFRVSA-N 0 3 373.453 0.302 20 30 FCEDHN C#CCCN1CCC[C@H](NC[C@H](O)COc2ccc(CCO)cc2)C1=O ZINC001253167943 1259825271 /nfs/dbraw/zinc/82/52/71/1259825271.db2.gz WFBWWZHFBARSCF-HKUYNNGSSA-N 0 3 360.454 0.565 20 30 FCEDHN C=C[C@@H](O)CN1CCOC[C@]2(CC[C@H](CNC(=O)c3cnccn3)O2)C1 ZINC001253577778 1259844635 /nfs/dbraw/zinc/84/46/35/1259844635.db2.gz PSPHGUSWCVPXOZ-RKVPGOIHSA-N 0 3 362.430 0.003 20 30 FCEDHN CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN([C@@H]1CC[C@H](C#N)C1)C2 ZINC001254663215 1259892354 /nfs/dbraw/zinc/89/23/54/1259892354.db2.gz PFKAMTOQKPXTGD-FRQCXROJSA-N 0 3 370.457 0.752 20 30 FCEDHN C#CCN(C)CCCNC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)O)cc1 ZINC001335938380 1259910700 /nfs/dbraw/zinc/91/07/00/1259910700.db2.gz YHFPNUFXRLOKQC-CQSZACIVSA-N 0 3 367.471 0.031 20 30 FCEDHN C#CCN(C)CCCNC(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1 ZINC001335938379 1259910779 /nfs/dbraw/zinc/91/07/79/1259910779.db2.gz YHFPNUFXRLOKQC-AWEZNQCLSA-N 0 3 367.471 0.031 20 30 FCEDHN C=CCC[C@@H](C)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O ZINC001258735297 1260057175 /nfs/dbraw/zinc/05/71/75/1260057175.db2.gz SPZZZGAXPLJFHS-PMPSAXMXSA-N 0 3 366.506 0.938 20 30 FCEDHN C#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC001336542423 1260168301 /nfs/dbraw/zinc/16/83/01/1260168301.db2.gz BITLSSYWWRWUHT-UHFFFAOYSA-N 0 3 368.437 0.373 20 30 FCEDHN CN(CCC#N)C[C@@H](O)CN[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC001336793363 1260224468 /nfs/dbraw/zinc/22/44/68/1260224468.db2.gz BYIPHAHIZPDBQC-RBUKOAKNSA-N 0 3 374.485 0.252 20 30 FCEDHN C#CCN1C[C@]2(CC1=O)CCCCN2C(=O)CCCN1CCN(C)CC1 ZINC001272632551 1260467228 /nfs/dbraw/zinc/46/72/28/1260467228.db2.gz KAVAMEMGBKYLSH-HXUWFJFHSA-N 0 3 360.502 0.631 20 30 FCEDHN C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001337994551 1260532785 /nfs/dbraw/zinc/53/27/85/1260532785.db2.gz BZJLGHQZNKNJIW-CABCVRRESA-N 0 3 360.462 0.226 20 30 FCEDHN C#CCN1C[C@]2(CCN(Cc3cc(OC)c(OC)cc3O)C2)OCC1=O ZINC001277813483 1260671442 /nfs/dbraw/zinc/67/14/42/1260671442.db2.gz PDFDTPHYTHMRAF-LJQANCHMSA-N 0 3 360.410 0.846 20 30 FCEDHN CN1CCC(NC(=O)c2cn3c(n2)CN(C(=O)[C@@H]2C[C@@H]2C#N)CC3)CC1 ZINC001278659918 1260716206 /nfs/dbraw/zinc/71/62/06/1260716206.db2.gz NRCWTKUSCMUVCL-TZMCWYRMSA-N 0 3 356.430 0.209 20 30 FCEDHN CN1CCC(NC(=O)c2noc3c2CN(C(=O)[C@@H]2C[C@@H]2C#N)CC3)CC1 ZINC001278659397 1260716243 /nfs/dbraw/zinc/71/62/43/1260716243.db2.gz IQDGZENVIMXJID-DGCLKSJQSA-N 0 3 357.414 0.543 20 30 FCEDHN C[C@@H](CNC(=O)C(=O)N1CC[C@](O)(CC#N)C1)N(C)Cc1ccccc1 ZINC001332214072 1266358569 /nfs/dbraw/zinc/35/85/69/1266358569.db2.gz CSOSFOZJLQVUHQ-HNAYVOBHSA-N 0 3 358.442 0.500 20 30 FCEDHN CN(C)CCN1CC2(CN(C(=S)Nc3ccc(C#N)cc3)C2)OCC1=O ZINC001279135698 1260792262 /nfs/dbraw/zinc/79/22/62/1260792262.db2.gz RMGDYUGBVSHJBE-UHFFFAOYSA-N 0 3 373.482 0.730 20 30 FCEDHN N#CC1(C(=O)N2CCO[C@H]3CN(C[C@H]4CCCOC4)C[C@@H]32)CCOCC1 ZINC001279617471 1260901282 /nfs/dbraw/zinc/90/12/82/1260901282.db2.gz AYPCUJVDNUZVHF-IKGGRYGDSA-N 0 3 363.458 0.645 20 30 FCEDHN CC(=O)NCCN1CCC2(CCN(C(=O)C3(C#N)CCOCC3)C2)CC1 ZINC001280173423 1261020699 /nfs/dbraw/zinc/02/06/99/1261020699.db2.gz NXQDCMDREDDZPY-UHFFFAOYSA-N 0 3 362.474 0.757 20 30 FCEDHN C[C@@H](O)CN1CCN(Cc2cc(C#N)n(C)c2)C[C@]2(CCCC(=O)N2)C1 ZINC001280189432 1261025839 /nfs/dbraw/zinc/02/58/39/1261025839.db2.gz SHOQJQAZZHBYFV-BEFAXECRSA-N 0 3 359.474 0.434 20 30 FCEDHN N#Cc1ccc(OC2CN(C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)C2)cc1 ZINC001322772962 1264261917 /nfs/dbraw/zinc/26/19/17/1264261917.db2.gz DCNNSMBRWUSDKC-MRXNPFEDSA-N 0 3 368.437 0.748 20 30 FCEDHN COCCCN(C)CCNC(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC001323073092 1264332804 /nfs/dbraw/zinc/33/28/04/1264332804.db2.gz HJTKRBCZHYTLNN-UHFFFAOYSA-N 0 3 374.441 0.232 20 30 FCEDHN C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC001333041841 1266528035 /nfs/dbraw/zinc/52/80/35/1266528035.db2.gz QIOYNXRIQQGSKP-IRXDYDNUSA-N 0 3 374.485 0.108 20 30 FCEDHN C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC001549509293 1267928457 /nfs/dbraw/zinc/92/84/57/1267928457.db2.gz CNTWLSLFEZITPT-NVGCLXPQSA-N 0 3 362.455 0.453 20 30 FCEDHN C=CCn1c(C[C@H](O)CC#N)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001338944671 1268126178 /nfs/dbraw/zinc/12/61/78/1268126178.db2.gz MZCIPFGLCKGMEC-JKSUJKDBSA-N 0 3 360.462 0.440 20 30 FCEDHN C=CCn1c(Cn2cc(CCO)nn2)nnc1N1CCN([C@@H](C)CC)CC1 ZINC001339261628 1268197645 /nfs/dbraw/zinc/19/76/45/1268197645.db2.gz DVQVYEDMXSSODA-HNNXBMFYSA-N 0 3 374.493 0.559 20 30 FCEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CCN(C(=O)COC)CC1 ZINC001339486590 1268249711 /nfs/dbraw/zinc/24/97/11/1268249711.db2.gz VWWBQCKZAOHNNF-HNNXBMFYSA-N 0 3 362.478 0.568 20 30 FCEDHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(-c3ccc(C#N)[nH]3)n2C)CC1 ZINC001341528424 1269057619 /nfs/dbraw/zinc/05/76/19/1269057619.db2.gz FSCBLDZBSPKCQG-HNNXBMFYSA-N 0 3 368.445 0.425 20 30 FCEDHN C=CCn1c(Cc2nnc[nH]2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001342177100 1269382459 /nfs/dbraw/zinc/38/24/59/1269382459.db2.gz JAXVKYSAHGVIKN-AWEZNQCLSA-N 0 3 372.477 0.863 20 30 FCEDHN COC(=O)C1(C#N)CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC001564644362 1269427600 /nfs/dbraw/zinc/42/76/00/1269427600.db2.gz UDVTVXXHPYRWAE-UHFFFAOYSA-N 0 3 365.478 0.501 20 30 FCEDHN C=CCn1c(CCC[N+](=O)[O-])nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001342384909 1269453035 /nfs/dbraw/zinc/45/30/35/1269453035.db2.gz MLTLNBCFVBWXES-HNNXBMFYSA-N 0 3 364.450 0.832 20 30 FCEDHN N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001343473182 1269918609 /nfs/dbraw/zinc/91/86/09/1269918609.db2.gz LNRCLNWCPMIFGF-QRVBRYPASA-N 0 3 354.454 0.803 20 30 FCEDHN C#CCCCCn1c(C2CC2)nnc1N1C[C@@H]2[C@@H](N)CS(=O)(=O)[C@@H]2C1 ZINC001574545606 1271332789 /nfs/dbraw/zinc/33/27/89/1271332789.db2.gz SUKFULCYVHSGMW-QLFBSQMISA-N 0 3 363.487 0.520 20 30 FCEDHN C=CCn1c(-c2ccccc2)nnc1N1C[C@H]2[C@H](C1)S(=O)(=O)C[C@H]2N ZINC001574952582 1271684119 /nfs/dbraw/zinc/68/41/19/1271684119.db2.gz TWZZRAXNYYYKDL-KFWWJZLASA-N 0 3 359.455 0.692 20 30 FCEDHN C#CCN1CCC(N(Cc2c[nH]nn2)C(=O)[C@@H]2CCc3nncn3C2)CC1 ZINC001574986197 1271688048 /nfs/dbraw/zinc/68/80/48/1271688048.db2.gz VKNNVEWHYXNZHG-CQSZACIVSA-N 0 3 368.445 0.085 20 30 FCEDHN C#CCN1CCC(N(Cc2c[nH]nn2)C(=O)[C@H]2CCc3nncn3C2)CC1 ZINC001574986196 1271688202 /nfs/dbraw/zinc/68/82/02/1271688202.db2.gz VKNNVEWHYXNZHG-AWEZNQCLSA-N 0 3 368.445 0.085 20 30 FCEDHN C=CC(C)(C)CC(=O)N1CC[C@H]2[C@@H](CCN2CC(=O)NCc2cn[nH]n2)C1 ZINC001575066435 1271705687 /nfs/dbraw/zinc/70/56/87/1271705687.db2.gz SPENPSXRAXVUQL-HOCLYGCPSA-N 0 3 374.489 0.946 20 30 FCEDHN C=CC(C)(C)CC(=O)N1CC[C@H]2[C@@H](CCN2CC(=O)NCc2c[nH]nn2)C1 ZINC001575066435 1271705693 /nfs/dbraw/zinc/70/56/93/1271705693.db2.gz SPENPSXRAXVUQL-HOCLYGCPSA-N 0 3 374.489 0.946 20 30 FCEDHN C=CCC1(C(=O)NC[C@H]2CCN(CC(=O)NCc3c[nH]nn3)C2)CCC1 ZINC001575086512 1271714775 /nfs/dbraw/zinc/71/47/75/1271714775.db2.gz ZADHNSURDVJBHR-CQSZACIVSA-N 0 3 360.462 0.605 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N1CCC(N(Cc2c[nH]nn2)C(=O)[C@@H]2C[C@H]2C)CC1 ZINC001575103543 1271720297 /nfs/dbraw/zinc/72/02/97/1271720297.db2.gz GBUOEEXVRAEXJW-CKEIUWERSA-N 0 3 374.489 0.944 20 30 FCEDHN C=CCOCC(=O)N[C@H]1CN(CCc2cn[nH]n2)CC2(CCOCC2)C1 ZINC001575110133 1271723442 /nfs/dbraw/zinc/72/34/42/1271723442.db2.gz JPNGWMFVXYKYNG-MRXNPFEDSA-N 0 3 363.462 0.537 20 30 FCEDHN O=C(CC#Cc1ccccc1)NC1(CO)CCN(CCc2cn[nH]n2)CC1 ZINC001577766649 1274851863 /nfs/dbraw/zinc/85/18/63/1274851863.db2.gz XDNBWPGRGWRYST-UHFFFAOYSA-N 0 3 367.453 0.732 20 30 FCEDHN CN(Cc1ccccc1)C[C@@H](N)C(=O)NCCNc1ccc(C#N)cn1 ZINC001578493699 1275914297 /nfs/dbraw/zinc/91/42/97/1275914297.db2.gz KDEFCQMTAMQKKU-QGZVFWFLSA-N 0 3 352.442 0.941 20 30 FCEDHN COC(=O)CC[C@@H](N)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC001578808527 1276300343 /nfs/dbraw/zinc/30/03/43/1276300343.db2.gz DZQWBSJYPGIVJI-CABCVRRESA-N 0 3 358.398 0.056 20 30 FCEDHN CN(CCC#N)C(=O)CC[N@@H+]1CCc2c(sc(N)c2-c2nnn[n-]2)C1 ZINC001579104296 1276763742 /nfs/dbraw/zinc/76/37/42/1276763742.db2.gz DBPJOZIPHDFIOF-UHFFFAOYSA-N 0 3 360.447 0.631 20 30 FCEDHN CN(CCC#N)C(=O)CC[N@H+]1CCc2c(sc(N)c2-c2nnn[n-]2)C1 ZINC001579104296 1276763753 /nfs/dbraw/zinc/76/37/53/1276763753.db2.gz DBPJOZIPHDFIOF-UHFFFAOYSA-N 0 3 360.447 0.631 20 30 FCEDHN CN(CCC#N)C(=O)CC[N@@H+]1CCc2c(sc(N)c2-c2nn[n-]n2)C1 ZINC001579104296 1276763757 /nfs/dbraw/zinc/76/37/57/1276763757.db2.gz DBPJOZIPHDFIOF-UHFFFAOYSA-N 0 3 360.447 0.631 20 30 FCEDHN CN(CCC#N)C(=O)CC[N@H+]1CCc2c(sc(N)c2-c2nn[n-]n2)C1 ZINC001579104296 1276763762 /nfs/dbraw/zinc/76/37/62/1276763762.db2.gz DBPJOZIPHDFIOF-UHFFFAOYSA-N 0 3 360.447 0.631 20 30 FCEDHN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](N)CCCC#N ZINC001579234611 1277040877 /nfs/dbraw/zinc/04/08/77/1277040877.db2.gz ORZMHXHBMWXBFS-GFCCVEGCSA-N 0 3 354.432 0.905 20 30 FCEDHN COCC#CC[NH2+]C1CCC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001579619901 1277668917 /nfs/dbraw/zinc/66/89/17/1277668917.db2.gz WBQUISXGVZKDIP-UHFFFAOYSA-N 0 3 371.445 0.817 20 30 FCEDHN COCC#CC[NH2+]C1CCC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001579619901 1277668924 /nfs/dbraw/zinc/66/89/24/1277668924.db2.gz WBQUISXGVZKDIP-UHFFFAOYSA-N 0 3 371.445 0.817 20 30 FCEDHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)c1c[nH]c(C#N)c1 ZINC001580278619 1278074655 /nfs/dbraw/zinc/07/46/55/1278074655.db2.gz DMEXDEOOJQNFOJ-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)c1c[nH]c(C#N)c1 ZINC001580278619 1278074661 /nfs/dbraw/zinc/07/46/61/1278074661.db2.gz DMEXDEOOJQNFOJ-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN N#CC1(C[C@H](O)C[N@@H+]2CC[C@H](Oc3ccc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001581856946 1280607987 /nfs/dbraw/zinc/60/79/87/1280607987.db2.gz KLAUHHLAFVNFTG-KBPBESRZSA-N 0 3 355.402 0.770 20 30 FCEDHN N#CC1(C[C@H](O)C[N@H+]2CC[C@H](Oc3ccc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001581856946 1280607999 /nfs/dbraw/zinc/60/79/99/1280607999.db2.gz KLAUHHLAFVNFTG-KBPBESRZSA-N 0 3 355.402 0.770 20 30 FCEDHN C#CCCCC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588336153 1282429107 /nfs/dbraw/zinc/42/91/07/1282429107.db2.gz IWABCQBGRCNFJB-CQSZACIVSA-N 0 3 374.420 0.718 20 30 FCEDHN C#CCCCC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588336153 1282429111 /nfs/dbraw/zinc/42/91/11/1282429111.db2.gz IWABCQBGRCNFJB-CQSZACIVSA-N 0 3 374.420 0.718 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)NCCNCc1ccc(-c2nn[nH]n2)cc1F ZINC001588351005 1282447754 /nfs/dbraw/zinc/44/77/54/1282447754.db2.gz CDMLOZOYKPSJOO-INIZCTEOSA-N 0 3 371.420 0.309 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)NCCCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588351117 1282448116 /nfs/dbraw/zinc/44/81/16/1282448116.db2.gz FHWWKYBDVPHALA-INIZCTEOSA-N 0 3 368.445 0.008 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001588352900 1282449908 /nfs/dbraw/zinc/44/99/08/1282449908.db2.gz ZYVPUMKDMWBMLI-AWEZNQCLSA-N 0 3 373.486 0.574 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588355018 1282452014 /nfs/dbraw/zinc/45/20/14/1282452014.db2.gz DFOVLQLWSIIDJS-QWHCGFSZSA-N 0 3 374.420 0.886 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588355018 1282452018 /nfs/dbraw/zinc/45/20/18/1282452018.db2.gz DFOVLQLWSIIDJS-QWHCGFSZSA-N 0 3 374.420 0.886 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588355331 1282452733 /nfs/dbraw/zinc/45/27/33/1282452733.db2.gz GXQSLKFDZFBNGM-NEPJUHHUSA-N 0 3 360.393 0.638 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588355331 1282452740 /nfs/dbraw/zinc/45/27/40/1282452740.db2.gz GXQSLKFDZFBNGM-NEPJUHHUSA-N 0 3 360.393 0.638 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588355174 1282454020 /nfs/dbraw/zinc/45/40/20/1282454020.db2.gz FWHIJXKUJUZLDZ-KBPBESRZSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001588355174 1282454027 /nfs/dbraw/zinc/45/40/27/1282454027.db2.gz FWHIJXKUJUZLDZ-KBPBESRZSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588355511 1282456157 /nfs/dbraw/zinc/45/61/57/1282456157.db2.gz JAMLSWCOVOTZPC-XJKSGUPXSA-N 0 3 354.414 0.596 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001588356147 1282457682 /nfs/dbraw/zinc/45/76/82/1282457682.db2.gz UBWPWCWWKOHYEC-KGLIPLIRSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001588356147 1282457687 /nfs/dbraw/zinc/45/76/87/1282457687.db2.gz UBWPWCWWKOHYEC-KGLIPLIRSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001588356147 1282457689 /nfs/dbraw/zinc/45/76/89/1282457689.db2.gz UBWPWCWWKOHYEC-KGLIPLIRSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001588356147 1282457693 /nfs/dbraw/zinc/45/76/93/1282457693.db2.gz UBWPWCWWKOHYEC-KGLIPLIRSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC/C=C\C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588356703 1282460998 /nfs/dbraw/zinc/46/09/98/1282460998.db2.gz FEYHBPUFQBVNIL-ZFDPJTLLSA-N 0 3 372.404 0.806 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NCCNCc1cc(-c2nn[nH]n2)ccc1OC ZINC001588358193 1282468940 /nfs/dbraw/zinc/46/89/40/1282468940.db2.gz VCMCAHPSPYRZOR-LBPRGKRZSA-N 0 3 358.402 0.119 20 30 FCEDHN C#CCOCCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588358721 1282471515 /nfs/dbraw/zinc/47/15/15/1282471515.db2.gz ABRVQWAVMXZJNP-ZIAGYGMSSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCOCCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001588358721 1282471517 /nfs/dbraw/zinc/47/15/17/1282471517.db2.gz ABRVQWAVMXZJNP-ZIAGYGMSSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCOCCC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588359134 1282473525 /nfs/dbraw/zinc/47/35/25/1282473525.db2.gz HVAAOFHJEMBLEH-MRXNPFEDSA-N 0 3 368.441 0.987 20 30 FCEDHN C#CCOCCC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001588359134 1282473528 /nfs/dbraw/zinc/47/35/28/1282473528.db2.gz HVAAOFHJEMBLEH-MRXNPFEDSA-N 0 3 368.441 0.987 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001588359693 1282476183 /nfs/dbraw/zinc/47/61/83/1282476183.db2.gz AENJRNBHQJJKHH-UBHSHLNASA-N 0 3 372.404 0.781 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001588359693 1282476190 /nfs/dbraw/zinc/47/61/90/1282476190.db2.gz AENJRNBHQJJKHH-UBHSHLNASA-N 0 3 372.404 0.781 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588360114 1282479079 /nfs/dbraw/zinc/47/90/79/1282479079.db2.gz IOESCJWLBYMSHK-QEJZJMRPSA-N 0 3 354.414 0.642 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001588360114 1282479083 /nfs/dbraw/zinc/47/90/83/1282479083.db2.gz IOESCJWLBYMSHK-QEJZJMRPSA-N 0 3 354.414 0.642 20 30 FCEDHN C=C[C@](C)(O)CC(=O)NC[C@@H](C)NCc1cc(-c2nn[nH]n2)ccc1OC ZINC001588500855 1282533285 /nfs/dbraw/zinc/53/32/85/1282533285.db2.gz FNXDZIJRTKEIGD-XIKOKIGWSA-N 0 3 374.445 0.797 20 30 FCEDHN C=C[C@](C)(O)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588508899 1282550488 /nfs/dbraw/zinc/55/04/88/1282550488.db2.gz RZEAMWQUCZIAQW-DIFFPNOSSA-N 0 3 362.409 0.927 20 30 FCEDHN C=C[C@](C)(O)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588508899 1282550496 /nfs/dbraw/zinc/55/04/96/1282550496.db2.gz RZEAMWQUCZIAQW-DIFFPNOSSA-N 0 3 362.409 0.927 20 30 FCEDHN C=CCCC[N@H+]1CCC[C@](CO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588600763 1282582038 /nfs/dbraw/zinc/58/20/38/1282582038.db2.gz OZNGIMFOPFTQJU-KRWDZBQOSA-N 0 3 359.434 0.718 20 30 FCEDHN C=CCCC[N@@H+]1CCC[C@](CO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588600763 1282582045 /nfs/dbraw/zinc/58/20/45/1282582045.db2.gz OZNGIMFOPFTQJU-KRWDZBQOSA-N 0 3 359.434 0.718 20 30 FCEDHN C=CCOCC[NH2+][C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001588683494 1282644576 /nfs/dbraw/zinc/64/45/76/1282644576.db2.gz WBWCHGIZEOAEGX-OCCSQVGLSA-N 0 3 359.434 0.838 20 30 FCEDHN C=CCOCC[NH2+][C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001588683494 1282644584 /nfs/dbraw/zinc/64/45/84/1282644584.db2.gz WBWCHGIZEOAEGX-OCCSQVGLSA-N 0 3 359.434 0.838 20 30 FCEDHN C=CCOCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001588682783 1282646715 /nfs/dbraw/zinc/64/67/15/1282646715.db2.gz JKNQOZAVUCNBCO-GXTWGEPZSA-N 0 3 359.434 0.886 20 30 FCEDHN C=CCOCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001588682783 1282646728 /nfs/dbraw/zinc/64/67/28/1282646728.db2.gz JKNQOZAVUCNBCO-GXTWGEPZSA-N 0 3 359.434 0.886 20 30 FCEDHN C=CCn1cc(C(=O)NC[C@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)nn1 ZINC001588713623 1282661228 /nfs/dbraw/zinc/66/12/28/1282661228.db2.gz OPYJVVIXHMYOTR-LBPRGKRZSA-N 0 3 367.417 0.552 20 30 FCEDHN C=CCn1cc(C(=O)NC[C@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)nn1 ZINC001588713623 1282661242 /nfs/dbraw/zinc/66/12/42/1282661242.db2.gz OPYJVVIXHMYOTR-LBPRGKRZSA-N 0 3 367.417 0.552 20 30 FCEDHN CC(C)C#CC(=O)N(CCO)CC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589380125 1282858156 /nfs/dbraw/zinc/85/81/56/1282858156.db2.gz NAAWQJZMDSDHQY-UHFFFAOYSA-N 0 3 374.420 0.576 20 30 FCEDHN COC(=O)C1(C)CN(C(=O)C(C#N)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591244483 1284394632 /nfs/dbraw/zinc/39/46/32/1284394632.db2.gz UVQNJGUKKUHSHP-ZDUSSCGKSA-N 0 3 354.370 0.570 20 30 FCEDHN COCC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001591360531 1284496849 /nfs/dbraw/zinc/49/68/49/1284496849.db2.gz FEUWITMUEOGGGL-GXTWGEPZSA-N 0 3 357.418 0.333 20 30 FCEDHN COCC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001591360531 1284496851 /nfs/dbraw/zinc/49/68/51/1284496851.db2.gz FEUWITMUEOGGGL-GXTWGEPZSA-N 0 3 357.418 0.333 20 30 FCEDHN COCC#CC[NH2+]CC[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001591361403 1284497218 /nfs/dbraw/zinc/49/72/18/1284497218.db2.gz LIMCMQUAMSEVKN-AWEZNQCLSA-N 0 3 371.445 0.677 20 30 FCEDHN COCC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001591362720 1284499468 /nfs/dbraw/zinc/49/94/68/1284499468.db2.gz WRETTXAMFVLUCS-OLZOCXBDSA-N 0 3 357.418 0.285 20 30 FCEDHN COCC#CC[NH2+][C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C12CCC2 ZINC001591362784 1284499634 /nfs/dbraw/zinc/49/96/34/1284499634.db2.gz XQYZEYQWZXIIRK-GJZGRUSLSA-N 0 3 369.429 0.475 20 30 FCEDHN COCC#CC[NH2+]CC[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001591362980 1284499890 /nfs/dbraw/zinc/49/98/90/1284499890.db2.gz YOLJLFKEPMSNDS-ZDUSSCGKSA-N 0 3 357.418 0.286 20 30 FCEDHN Cc1cc2c(cc1-c1nnn[n-]1)[nH]nc2NC(=O)C#CC1CC[NH2+]CC1 ZINC001592069673 1285109404 /nfs/dbraw/zinc/10/94/04/1285109404.db2.gz ATCMXFSOAWCBNC-UHFFFAOYSA-N 0 3 350.386 0.993 20 30 FCEDHN Cc1cc2c(cc1-c1nn[n-]n1)[nH]nc2NC(=O)C#CC1CC[NH2+]CC1 ZINC001592069673 1285109410 /nfs/dbraw/zinc/10/94/10/1285109410.db2.gz ATCMXFSOAWCBNC-UHFFFAOYSA-N 0 3 350.386 0.993 20 30 FCEDHN N#CC1(C[C@H](O)C[NH2+]CCNc2ccc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001592667961 1285564723 /nfs/dbraw/zinc/56/47/23/1285564723.db2.gz ARDSGZAVJWIMEN-AWEZNQCLSA-N 0 3 372.433 0.335 20 30 FCEDHN N#CC1(C[C@H](O)C[NH2+]CCNc2ccc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001592667961 1285564728 /nfs/dbraw/zinc/56/47/28/1285564728.db2.gz ARDSGZAVJWIMEN-AWEZNQCLSA-N 0 3 372.433 0.335 20 30 FCEDHN N#CCCC[C@H]([NH3+])C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001592675072 1285569425 /nfs/dbraw/zinc/56/94/25/1285569425.db2.gz QEWUWSOAVMRQNG-HNNXBMFYSA-N 0 3 354.418 0.536 20 30 FCEDHN O=C(C#CC1CC1)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001592766728 1285689094 /nfs/dbraw/zinc/68/90/94/1285689094.db2.gz ROZDWVFRKHFVDY-KRWDZBQOSA-N 0 3 366.425 0.597 20 30 FCEDHN C[NH+](C)CCCN(CCC#N)C(=O)COc1ccccc1-c1nnn[n-]1 ZINC001609267818 1289031717 /nfs/dbraw/zinc/03/17/17/1289031717.db2.gz PGAROVQBIZHYAQ-UHFFFAOYSA-N 0 3 357.418 0.939 20 30 FCEDHN C[NH+](C)CCCN(CCC#N)C(=O)COc1ccccc1-c1nn[n-]n1 ZINC001609267818 1289031726 /nfs/dbraw/zinc/03/17/26/1289031726.db2.gz PGAROVQBIZHYAQ-UHFFFAOYSA-N 0 3 357.418 0.939 20 30 FCEDHN C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001609267715 1289032473 /nfs/dbraw/zinc/03/24/73/1289032473.db2.gz GUCREZOLOCJOIS-UHFFFAOYSA-N 0 3 370.417 0.499 20 30 FCEDHN C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001609267715 1289032478 /nfs/dbraw/zinc/03/24/78/1289032478.db2.gz GUCREZOLOCJOIS-UHFFFAOYSA-N 0 3 370.417 0.499 20 30 FCEDHN C#CC[C@H](NC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1)C(=O)OC ZINC001602697782 1287059848 /nfs/dbraw/zinc/05/98/48/1287059848.db2.gz RTZPDANITWZRRR-KRWDZBQOSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CC[C@H](NC1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1)C(=O)OC ZINC001602697782 1287059855 /nfs/dbraw/zinc/05/98/55/1287059855.db2.gz RTZPDANITWZRRR-KRWDZBQOSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CC[NH2+]C1CCC2(CC1)CN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CCO2 ZINC001602722421 1287077015 /nfs/dbraw/zinc/07/70/15/1287077015.db2.gz QPXCCZVAULPOJI-UHFFFAOYSA-N 0 3 369.429 0.571 20 30 FCEDHN C#CC[NH2+]C1CCC2(CC1)CN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CCO2 ZINC001602722421 1287077023 /nfs/dbraw/zinc/07/70/23/1287077023.db2.gz QPXCCZVAULPOJI-UHFFFAOYSA-N 0 3 369.429 0.571 20 30 FCEDHN C#CCNC(=O)[C@@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)CCn1ccnc1 ZINC001692079116 1289386311 /nfs/dbraw/zinc/38/63/11/1289386311.db2.gz BNOMJVAGIAIPKU-ZACQAIPSSA-N 0 3 359.474 0.628 20 30 FCEDHN COCC#CCN1CC[C@@H]2CN(C(=O)[C@H](C)CN3CCOCC3)C[C@@H]2C1 ZINC001692084749 1289390714 /nfs/dbraw/zinc/39/07/14/1289390714.db2.gz KMHKTSOJYGGVJY-QRVBRYPASA-N 0 3 363.502 0.385 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCCC[C@@H](NCC(=O)NCC#N)C1 ZINC001692127890 1289402723 /nfs/dbraw/zinc/40/27/23/1289402723.db2.gz DGZVCIUWZXDWMS-RYRKJORJSA-N 0 3 362.474 0.968 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)CNCC(=O)Nc1nncs1 ZINC001698769486 1289535818 /nfs/dbraw/zinc/53/58/18/1289535818.db2.gz SAWBRWHECLCIJR-DYEKYZERSA-N 0 3 367.475 0.800 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NCC(=O)NCC(C)C)CCOCC1 ZINC001699884313 1289572072 /nfs/dbraw/zinc/57/20/72/1289572072.db2.gz FVKBEXBRZXNTAE-CVEARBPZSA-N 0 3 367.490 0.605 20 30 FCEDHN C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)CN(C)CCC)C[C@H]2OC)c1 ZINC001757148162 1290725633 /nfs/dbraw/zinc/72/56/33/1290725633.db2.gz RMBFCVJCZAIYOK-IAGOWNOFSA-N 0 3 358.442 0.360 20 30 FCEDHN CN(C)CCn1nccc1NC(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC001672406244 1292080078 /nfs/dbraw/zinc/08/00/78/1292080078.db2.gz OCIROGQJYPRGPZ-UHFFFAOYSA-N 0 3 359.438 0.718 20 30 FCEDHN C=CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)CS(=O)(=O)NC)C1 ZINC001688957694 1294552273 /nfs/dbraw/zinc/55/22/73/1294552273.db2.gz VGOADFYKYMINKU-JKSUJKDBSA-N 0 3 351.472 0.696 20 30 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/nfs/dbraw/zinc/22/49/01/871224901.db2.gz ZPSCBEGKAMVPGQ-INIZCTEOSA-N 0 3 350.507 0.801 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573285712 946785264 /nfs/dbraw/zinc/78/52/64/946785264.db2.gz LRRQSMVLYWONFP-JKIFEVAISA-N 0 3 368.441 0.842 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573285712 946785274 /nfs/dbraw/zinc/78/52/74/946785274.db2.gz LRRQSMVLYWONFP-JKIFEVAISA-N 0 3 368.441 0.842 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NCC1CC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573287609 946843897 /nfs/dbraw/zinc/84/38/97/946843897.db2.gz OASKYMHCIISBCB-KTAKPFMOSA-N 0 3 368.441 0.889 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NCC1CC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573287609 946843906 /nfs/dbraw/zinc/84/39/06/946843906.db2.gz OASKYMHCIISBCB-KTAKPFMOSA-N 0 3 368.441 0.889 20 30 FCEDHN C=C(C)CCC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573299671 947098933 /nfs/dbraw/zinc/09/89/33/947098933.db2.gz KUKOYAFESFKOPH-ZDUSSCGKSA-N 0 3 362.409 0.929 20 30 FCEDHN C[C@@H](C#N)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)c(F)c3)C[C@H]21 ZINC001573576686 947156161 /nfs/dbraw/zinc/15/61/61/947156161.db2.gz IYJMEMRHYZSHKA-FBUXBERBSA-N 0 3 369.404 0.959 20 30 FCEDHN C[C@@H](C#N)C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)c(F)c3)C[C@H]21 ZINC001573576686 947156166 /nfs/dbraw/zinc/15/61/66/947156166.db2.gz IYJMEMRHYZSHKA-FBUXBERBSA-N 0 3 369.404 0.959 20 30 FCEDHN C=CCN1CC[C@@H]([NH2+][C@@H](C)CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1=O ZINC001573342178 947540170 /nfs/dbraw/zinc/54/01/70/947540170.db2.gz XIYIWLFYPZSUHU-WCQYABFASA-N 0 3 372.433 0.080 20 30 FCEDHN C=CCOCC[NH2+]CC1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573348562 947584163 /nfs/dbraw/zinc/58/41/63/947584163.db2.gz RVSXULMVDRMPAH-UHFFFAOYSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[NH2+]CC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573348562 947584172 /nfs/dbraw/zinc/58/41/72/947584172.db2.gz RVSXULMVDRMPAH-UHFFFAOYSA-N 0 3 359.434 0.839 20 30 FCEDHN CN1CCCN(c2ccc(NC(=O)C(=O)N3CCO[C@H](C#N)C3)cc2)CC1 ZINC000264435720 530054044 /nfs/dbraw/zinc/05/40/44/530054044.db2.gz LIOHRKTVQBESEV-QGZVFWFLSA-N 0 3 371.441 0.518 20 30 FCEDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccccc2OCC#N)CC1 ZINC000152306270 530061826 /nfs/dbraw/zinc/06/18/26/530061826.db2.gz PDNQXRHCEHKEFW-INIZCTEOSA-N 0 3 356.426 0.968 20 30 FCEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCCN1CCC(O)CC1 ZINC000265456839 210140843 /nfs/dbraw/zinc/14/08/43/210140843.db2.gz VXNAVBNSACNTLK-UHFFFAOYSA-N 0 3 374.441 0.858 20 30 FCEDHN CN(C)CCN1CCC(NC(=O)C(=O)NCc2cccc(C#N)c2)CC1 ZINC000284422581 213135751 /nfs/dbraw/zinc/13/57/51/213135751.db2.gz KITRDPRKXKPJJJ-UHFFFAOYSA-N 0 3 357.458 0.317 20 30 FCEDHN CNS(=O)(=O)CCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000276041447 212146086 /nfs/dbraw/zinc/14/60/86/212146086.db2.gz QVBJAYMANDPUFT-UHFFFAOYSA-N 0 3 367.475 0.181 20 30 FCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@](O)(C4CC4)C3)CC2)o1 ZINC000373248106 217000497 /nfs/dbraw/zinc/00/04/97/217000497.db2.gz WIDZYDPLAPABPD-GOSISDBHSA-N 0 3 359.430 0.350 20 30 FCEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000185311868 209176354 /nfs/dbraw/zinc/17/63/54/209176354.db2.gz RFRXIBBOWVCTBU-OAHLLOKOSA-N 0 3 357.458 0.430 20 30 FCEDHN CO[C@H]1CCN(C(=O)C(=O)NCCOc2ccc(C#N)cc2)[C@H](CN)C1 ZINC000419462573 246173846 /nfs/dbraw/zinc/17/38/46/246173846.db2.gz JTCYQTFOPPVPBK-HOCLYGCPSA-N 0 3 360.414 0.018 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000419722634 246270159 /nfs/dbraw/zinc/27/01/59/246270159.db2.gz DZLPTDFHDCBIII-ZFWWWQNUSA-N 0 3 352.479 0.372 20 30 FCEDHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000419950968 246383979 /nfs/dbraw/zinc/38/39/79/246383979.db2.gz IUOHWVHZNFKGJS-SJORKVTESA-N 0 3 358.442 0.948 20 30 FCEDHN N#CCCC[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000424078448 247165936 /nfs/dbraw/zinc/16/59/36/247165936.db2.gz PWNYBRQTDIZVEU-HNNXBMFYSA-N 0 3 368.434 0.680 20 30 FCEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000424173956 247175945 /nfs/dbraw/zinc/17/59/45/247175945.db2.gz OUYNLPLWSRHPBG-CABCVRRESA-N 0 3 356.492 0.861 20 30 FCEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000424173970 247176391 /nfs/dbraw/zinc/17/63/91/247176391.db2.gz OUYNLPLWSRHPBG-LSDHHAIUSA-N 0 3 356.492 0.861 20 30 FCEDHN Cn1cc([C@@H]2CN(C(=O)C(=O)Nc3cccc(CC#N)c3)C[C@H]2N)cn1 ZINC000424450643 247223060 /nfs/dbraw/zinc/22/30/60/247223060.db2.gz YGEOWNLYYUKZHQ-JKSUJKDBSA-N 0 3 352.398 0.378 20 30 FCEDHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(C#N)s2)CC1=O ZINC000425313165 247320735 /nfs/dbraw/zinc/32/07/35/247320735.db2.gz HUEPWBFEXMAVSB-LBPRGKRZSA-N 0 3 350.444 0.529 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000437997051 248073683 /nfs/dbraw/zinc/07/36/83/248073683.db2.gz LDNSSDHBQONVRM-MSOLQXFVSA-N 0 3 368.522 0.657 20 30 FCEDHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@H](S(N)(=O)=O)C1)C(C)C ZINC000444845011 248369273 /nfs/dbraw/zinc/36/92/73/248369273.db2.gz GARYDEYUUYZNEC-CABCVRRESA-N 0 3 358.508 0.757 20 30 FCEDHN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C)CC[C@H]1C ZINC000482178353 250380059 /nfs/dbraw/zinc/38/00/59/250380059.db2.gz MLPSEWCYSFNDOA-ZIAGYGMSSA-N 0 3 364.471 0.778 20 30 FCEDHN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000482398679 250390284 /nfs/dbraw/zinc/39/02/84/250390284.db2.gz OJCRNDWZRHZOJX-VNHYZAJKSA-N 0 3 364.471 0.824 20 30 FCEDHN CCN1CCC(NC(=O)CN2CCN(c3ncccc3C#N)CC2)CC1 ZINC000073108606 208044638 /nfs/dbraw/zinc/04/46/38/208044638.db2.gz JKLZTEOLKFLBRQ-UHFFFAOYSA-N 0 3 356.474 0.676 20 30 FCEDHN COCCN(CCC#N)S(=O)(=O)NCc1ccc(CN(C)C)cc1 ZINC000409535569 533327043 /nfs/dbraw/zinc/32/70/43/533327043.db2.gz JYKURWGOPMSJSP-UHFFFAOYSA-N 0 3 354.476 0.945 20 30 FCEDHN CCN(C)CCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000363670675 488871184 /nfs/dbraw/zinc/87/11/84/488871184.db2.gz GAAMXXPJLGCRMS-UHFFFAOYSA-N 0 3 358.377 0.889 20 30 FCEDHN CN(C)C1(CNC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)CCC1 ZINC000287531793 488878952 /nfs/dbraw/zinc/87/89/52/488878952.db2.gz BVTBODCIVZHLOY-UHFFFAOYSA-N 0 3 369.469 0.807 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(CCO)CC2)cc1 ZINC000278636608 488886105 /nfs/dbraw/zinc/88/61/05/488886105.db2.gz OQCHVNCAAICNEU-CYBMUJFWSA-N 0 3 366.443 0.514 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)CC(C)(CO)CO)cc1 ZINC000278667085 488888153 /nfs/dbraw/zinc/88/81/53/488888153.db2.gz QSXXXPKFCIEWLS-GFCCVEGCSA-N 0 3 369.443 0.827 20 30 FCEDHN C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2CCCCN2CC)C1=O ZINC000287980939 488929100 /nfs/dbraw/zinc/92/91/00/488929100.db2.gz RIUKSZDLQYSCJL-HUUCEWRRSA-N 0 3 350.463 0.222 20 30 FCEDHN COCCN1CC[C@@H](NC(=O)N2CCC[C@@H](CN3CCOCC3)C2)C1 ZINC000328710733 488932154 /nfs/dbraw/zinc/93/21/54/488932154.db2.gz MUTHZCGIPKLELC-DLBZAZTESA-N 0 3 354.495 0.665 20 30 FCEDHN CCN1CCC(NC(=O)CN2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)CC1 ZINC000328984691 488958019 /nfs/dbraw/zinc/95/80/19/488958019.db2.gz 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ZINC000077695631 488416834 /nfs/dbraw/zinc/41/68/34/488416834.db2.gz LURHATCOEUPKMO-SFHVURJKSA-N 0 3 366.421 0.459 20 30 FCEDHN CN(C)CCn1ccc(NC(=O)N(CCC#N)CCN2CCOCC2)n1 ZINC000080188847 488434482 /nfs/dbraw/zinc/43/44/82/488434482.db2.gz GKGJIWJOSLJMMS-UHFFFAOYSA-N 0 3 363.466 0.524 20 30 FCEDHN CN(C)CCN(CCCc1ccccc1)c1c(C#N)c(=O)n(C)c(=O)n1C ZINC000081018843 488438778 /nfs/dbraw/zinc/43/87/78/488438778.db2.gz REMONKKEXSJDNK-UHFFFAOYSA-N 0 3 369.469 0.956 20 30 FCEDHN COCCOC[C@H]1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000091583967 488465861 /nfs/dbraw/zinc/46/58/61/488465861.db2.gz DOHUGCMDDRJSFO-ROUUACIJSA-N 0 3 366.506 0.664 20 30 FCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCC[C@H]3[C@H](C)O)CC2)o1 ZINC000246374158 488472558 /nfs/dbraw/zinc/47/25/58/488472558.db2.gz RWWWTYASDYVDQT-BBRMVZONSA-N 0 3 361.446 0.739 20 30 FCEDHN CN(CCN1CCCC1)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000103118094 488499557 /nfs/dbraw/zinc/49/95/57/488499557.db2.gz CSRNPOUYRGFJSB-UHFFFAOYSA-N 0 3 364.471 0.733 20 30 FCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H]4CN(C)C[C@H]43)CC2)o1 ZINC000563022099 491208503 /nfs/dbraw/zinc/20/85/03/491208503.db2.gz GNCDKYMURPQJJX-DOTOQJQBSA-N 0 3 372.473 0.529 20 30 FCEDHN N#Cc1cccc(CNC(=O)NCCCCN2CCN(CCO)CC2)c1 ZINC000114586839 488541845 /nfs/dbraw/zinc/54/18/45/488541845.db2.gz RXISJFAPGDBBAL-UHFFFAOYSA-N 0 3 359.474 0.748 20 30 FCEDHN N#Cc1ccc([C@H](C(N)=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000131206569 488643463 /nfs/dbraw/zinc/64/34/63/488643463.db2.gz FPJFJHNNOMSHGY-IAGOWNOFSA-N 0 3 355.442 0.499 20 30 FCEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)CN1CCN(C)CC1 ZINC000136323649 488677152 /nfs/dbraw/zinc/67/71/52/488677152.db2.gz FSGTXEGCLVAYSC-CYBMUJFWSA-N 0 3 361.421 0.636 20 30 FCEDHN CN1CCC[C@H]1C(=O)N1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000141462731 488688283 /nfs/dbraw/zinc/68/82/83/488688283.db2.gz LQMNMXSWADFVEU-IRXDYDNUSA-N 0 3 355.442 0.323 20 30 FCEDHN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1CCCCC1 ZINC000151287604 488703487 /nfs/dbraw/zinc/70/34/87/488703487.db2.gz MLXRPCRHZQABLL-CQSZACIVSA-N 0 3 364.471 0.827 20 30 FCEDHN CCN(CCO)CCNC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000274459648 488710283 /nfs/dbraw/zinc/71/02/83/488710283.db2.gz NVSCOZJMHSGKRS-UHFFFAOYSA-N 0 3 362.430 0.738 20 30 FCEDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000274500390 488714479 /nfs/dbraw/zinc/71/44/79/488714479.db2.gz JEHNABVWWRKDCF-ZDUSSCGKSA-N 0 3 361.421 0.778 20 30 FCEDHN C=CCNS(=O)(=O)c1ccc(C(=O)NCCN(CC)CCO)cc1 ZINC000274538283 488717806 /nfs/dbraw/zinc/71/78/06/488717806.db2.gz KGAFKGDGYKMCJP-UHFFFAOYSA-N 0 3 355.460 0.195 20 30 FCEDHN CCN1CCC[C@@H]1CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000157773062 488773495 /nfs/dbraw/zinc/77/34/95/488773495.db2.gz BDYAVFHFBOSMNZ-UKRRQHHQSA-N 0 3 364.471 0.826 20 30 FCEDHN CCN1CCC[C@@H]1CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000157767115 488773780 /nfs/dbraw/zinc/77/37/80/488773780.db2.gz YDEVZRFPZMDRIP-UKRRQHHQSA-N 0 3 364.471 0.826 20 30 FCEDHN 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CCN1CCCC[C@H]1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000290819937 489167833 /nfs/dbraw/zinc/16/78/33/489167833.db2.gz OPIAUTFHTOVHQS-HNNXBMFYSA-N 0 3 364.471 0.827 20 30 FCEDHN C=CCN1CCC(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1=O ZINC000292794214 489179092 /nfs/dbraw/zinc/17/90/92/489179092.db2.gz NPZCMUGEOZGMFM-AWEZNQCLSA-N 0 3 372.468 0.498 20 30 FCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(F)c(OC)cc1OC ZINC000293258855 489182095 /nfs/dbraw/zinc/18/20/95/489182095.db2.gz DXFGYNCFIIKLIY-UHFFFAOYSA-N 0 3 351.378 0.853 20 30 FCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1 ZINC000293206138 489182271 /nfs/dbraw/zinc/18/22/71/489182271.db2.gz AVRGCGFXBCHUGN-INIZCTEOSA-N 0 3 372.469 0.922 20 30 FCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000293272908 489182906 /nfs/dbraw/zinc/18/29/06/489182906.db2.gz FSFPXBROUFIORP-UHFFFAOYSA-N 0 3 360.414 0.663 20 30 FCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000293291795 489183041 /nfs/dbraw/zinc/18/30/41/489183041.db2.gz GXDUYTAFHVDJEV-UHFFFAOYSA-N 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/nfs/dbraw/zinc/89/46/73/489894673.db2.gz HPQXUTQOOOQXQE-DOTOQJQBSA-N 0 3 353.426 0.905 20 30 FCEDHN C[C@H](NC(=O)C(=O)NCCCCN1CCN(C)CC1)c1ccc(C#N)cc1 ZINC000556032997 491290344 /nfs/dbraw/zinc/29/03/44/491290344.db2.gz GXBKTYMJIDOPFN-INIZCTEOSA-N 0 3 371.485 0.879 20 30 FCEDHN CN(CCNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)C1CC1 ZINC000377901177 489975956 /nfs/dbraw/zinc/97/59/56/489975956.db2.gz DTBSCGGINNQQCT-UHFFFAOYSA-N 0 3 353.386 0.288 20 30 FCEDHN CCOC(=O)CC[C@@H](O)CN[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000571199125 491292335 /nfs/dbraw/zinc/29/23/35/491292335.db2.gz RZLXAWJDSWYOJP-IAGOWNOFSA-N 0 3 359.426 0.953 20 30 FCEDHN C=CCn1c(Cc2noc([C@H]3CN(C)C[C@@H]3C)n2)nnc1N1CCOCC1 ZINC000462829232 489993432 /nfs/dbraw/zinc/99/34/32/489993432.db2.gz ZDQJHHDCUABNEN-KBPBESRZSA-N 0 3 373.461 0.940 20 30 FCEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2C[C@@H](O)[C@@H](O)C2)c1C#N ZINC000444713572 490107953 /nfs/dbraw/zinc/10/79/53/490107953.db2.gz YZKSULITPRNWDL-CALCHBBNSA-N 0 3 372.425 0.984 20 30 FCEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000556181514 491301112 /nfs/dbraw/zinc/30/11/12/491301112.db2.gz XFUZQZYZADSQQG-UHFFFAOYSA-N 0 3 370.413 1.292 20 30 FCEDHN CN(C(=O)Cn1cnc(C#N)n1)C1CCN(CCc2ccccn2)CC1 ZINC000532861008 490131312 /nfs/dbraw/zinc/13/13/12/490131312.db2.gz BNTTXNSFXWKNBA-UHFFFAOYSA-N 0 3 353.430 0.710 20 30 FCEDHN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422046523 490133776 /nfs/dbraw/zinc/13/37/76/490133776.db2.gz ZYEQXFALDDOPBS-HIFRSBDPSA-N 0 3 364.471 0.778 20 30 FCEDHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000422098394 490149291 /nfs/dbraw/zinc/14/92/91/490149291.db2.gz JUKKHRLJYZZBRS-MRXNPFEDSA-N 0 3 370.457 0.154 20 30 FCEDHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000422108360 490159330 /nfs/dbraw/zinc/15/93/30/490159330.db2.gz UKKZSEKYTUGMSD-QGZVFWFLSA-N 0 3 369.469 0.759 20 30 FCEDHN CN(C)CCN(C)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000480082984 490159685 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C[C@H]1C[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCN1C ZINC000564691811 491321053 /nfs/dbraw/zinc/32/10/53/491321053.db2.gz VMWDPORLIIMGKS-GXTWGEPZSA-N 0 3 350.444 0.435 20 30 FCEDHN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C3CCCCC3)CC2)C1=O ZINC000484077640 490379640 /nfs/dbraw/zinc/37/96/40/490379640.db2.gz WBOSWGOAKLEJEE-UHFFFAOYSA-N 0 3 362.430 0.440 20 30 FCEDHN C[C@@H](NC[C@H](O)CN(C)CCC#N)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000564849065 491331147 /nfs/dbraw/zinc/33/11/47/491331147.db2.gz QERMEFXXHYUGJD-ZBFHGGJFSA-N 0 3 368.503 0.794 20 30 FCEDHN C=CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000571869960 491333779 /nfs/dbraw/zinc/33/37/79/491333779.db2.gz VULCNUQDWPFOAO-HZPDHXFCSA-N 0 3 374.489 0.711 20 30 FCEDHN N#C[C@H]1CN(S(=O)(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000548772405 490539824 /nfs/dbraw/zinc/53/98/24/490539824.db2.gz VEGRJAJPVFGGAV-IRXDYDNUSA-N 0 3 364.471 0.567 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NCCc2ccc3c(c2)OCO3)CC1 ZINC000550119008 490627310 /nfs/dbraw/zinc/62/73/10/490627310.db2.gz YMVKLQRSKDZGHZ-UHFFFAOYSA-N 0 3 359.426 0.841 20 30 FCEDHN Cc1ccc(C(=O)NCCN2CCCC2)cc1S(=O)(=O)NCC#N ZINC000513130901 490710244 /nfs/dbraw/zinc/71/02/44/490710244.db2.gz ZSLAACOXKLWKMW-UHFFFAOYSA-N 0 3 350.444 0.623 20 30 FCEDHN CN(C)C[C@@](C)(O)CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000502937708 490731105 /nfs/dbraw/zinc/73/11/05/490731105.db2.gz YHUKLDAWTAFNDB-KRWDZBQOSA-N 0 3 367.471 0.806 20 30 FCEDHN CC(C(=O)NCC(=O)c1ccc(C#N)cc1)S(=O)(=O)C1CCOCC1 ZINC000557109937 491353608 /nfs/dbraw/zinc/35/36/08/491353608.db2.gz NIAWXKNIXXQNCS-LBPRGKRZSA-N 0 3 364.423 0.839 20 30 FCEDHN CN(CCC#N)C[C@@H](O)CNCc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000514856105 490793561 /nfs/dbraw/zinc/79/35/61/490793561.db2.gz QZOBFYKWCMPCEK-IBGZPJMESA-N 0 3 373.501 0.370 20 30 FCEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N(CCN(C)C)CCN(C)C ZINC000515582154 490832410 /nfs/dbraw/zinc/83/24/10/490832410.db2.gz POHFJUNHNGXQPL-HZPDHXFCSA-N 0 3 354.495 0.036 20 30 FCEDHN COc1cc([C@H](C#N)NC(=O)C(C)S(C)(=O)=O)cc(OC)c1OC ZINC000505554180 490833403 /nfs/dbraw/zinc/83/34/03/490833403.db2.gz VSKBCPISNUIKKC-ONGXEEELSA-N 0 3 356.400 0.826 20 30 FCEDHN CCN1CCC(NC(=O)CN2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 ZINC000530414002 490903849 /nfs/dbraw/zinc/90/38/49/490903849.db2.gz QSQBMOBYANMMKL-UHFFFAOYSA-N 0 3 373.505 0.323 20 30 FCEDHN C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)cc1 ZINC000530806440 490925612 /nfs/dbraw/zinc/92/56/12/490925612.db2.gz RAZGYRZUWQMCMT-CQSZACIVSA-N 0 3 358.442 0.999 20 30 FCEDHN N#Cc1ccccc1CSCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000565249243 491365325 /nfs/dbraw/zinc/36/53/25/491365325.db2.gz CIWSSCSMLZEMHJ-JKSUJKDBSA-N 0 3 373.482 0.745 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)CC1 ZINC000519270329 490967195 /nfs/dbraw/zinc/96/71/95/490967195.db2.gz HVOGPKCPACTWCN-UHFFFAOYSA-N 0 3 374.445 0.452 20 30 FCEDHN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1CC[C@H](C)C1 ZINC000531704327 490971089 /nfs/dbraw/zinc/97/10/89/490971089.db2.gz YNVKIITZNHLZHO-KBPBESRZSA-N 0 3 364.471 0.683 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](COC)[C@@H]2CCCO2)CC1 ZINC000569483465 491163765 /nfs/dbraw/zinc/16/37/65/491163765.db2.gz FDGUTDQZONBSLT-HOTGVXAUSA-N 0 3 353.463 0.453 20 30 FCEDHN CCCc1c(NC(=O)C(=O)NC2CNC2)cnn1-c1cccc(C#N)c1 ZINC000569556731 491168154 /nfs/dbraw/zinc/16/81/54/491168154.db2.gz YPEKNGNGJNGHLE-UHFFFAOYSA-N 0 3 352.398 0.723 20 30 FCEDHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CCN1C ZINC000554042274 491172403 /nfs/dbraw/zinc/17/24/03/491172403.db2.gz RRBWELKFRBDBES-ZBFHGGJFSA-N 0 3 370.457 0.201 20 30 FCEDHN COC(=O)c1ccc(N2CCN(C(=O)CN3CCCC3)CC2)c(C#N)n1 ZINC000565435085 491376319 /nfs/dbraw/zinc/37/63/19/491376319.db2.gz XZCJVZZRJSVRQE-UHFFFAOYSA-N 0 3 357.414 0.484 20 30 FCEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC000565497756 491380545 /nfs/dbraw/zinc/38/05/45/491380545.db2.gz FUKZDFZAKIAIFT-HNNXBMFYSA-N 0 3 372.535 0.950 20 30 FCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC000566145643 491420556 /nfs/dbraw/zinc/42/05/56/491420556.db2.gz XVEQBMXDTBNCAX-MRXNPFEDSA-N 0 3 371.441 0.779 20 30 FCEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000566494617 491448575 /nfs/dbraw/zinc/44/85/75/491448575.db2.gz BBFRTJUGTUAXRG-OFQRWUPVSA-N 0 3 362.499 0.895 20 30 FCEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC[C@@](O)(C(=O)N3CCCC3)C2)cc1 ZINC000573945286 491464879 /nfs/dbraw/zinc/46/48/79/491464879.db2.gz JWRDLTMNPYSBOL-PXNSSMCTSA-N 0 3 373.453 0.747 20 30 FCEDHN N#Cc1cccc(CNC(=O)C(=O)NCC2(N3CCCC3)CCOCC2)c1 ZINC000559715594 491493534 /nfs/dbraw/zinc/49/35/34/491493534.db2.gz FVQKFQZYBQRTNK-UHFFFAOYSA-N 0 3 370.453 0.936 20 30 FCEDHN CN(C)[C@H]1CN(C(=O)COc2cccc(Br)c2C#N)C[C@@H]1O ZINC000567365888 491502081 /nfs/dbraw/zinc/50/20/81/491502081.db2.gz OKLZAGMETMXRPU-STQMWFEESA-N 0 3 368.231 0.833 20 30 FCEDHN CN(C)[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000574847854 491523637 /nfs/dbraw/zinc/52/36/37/491523637.db2.gz LOUFYLDEFCPPLN-CQSZACIVSA-N 0 3 350.444 0.389 20 30 FCEDHN COC[C@]1(C)CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000560265452 491527130 /nfs/dbraw/zinc/52/71/30/491527130.db2.gz JXVNTXPIOVWTHM-GOSISDBHSA-N 0 3 361.446 0.862 20 30 FCEDHN C=C(C)COc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000575196357 491544848 /nfs/dbraw/zinc/54/48/48/491544848.db2.gz KIQUOYUGASIOCG-GDBMZVCRSA-N 0 3 372.425 0.350 20 30 FCEDHN COCCN(CCC#N)S(=O)(=O)NCC1(SC)CCN(C)CC1 ZINC000577563841 491632854 /nfs/dbraw/zinc/63/28/54/491632854.db2.gz GLPQZIGSANMNGS-UHFFFAOYSA-N 0 3 364.537 0.510 20 30 FCEDHN C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000562023033 491648786 /nfs/dbraw/zinc/64/87/86/491648786.db2.gz SWJXQWIKWXCFRR-IHRRRGAJSA-N 0 3 370.523 0.993 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000578545948 491679724 /nfs/dbraw/zinc/67/97/24/491679724.db2.gz JYCJIHSGQLGFJF-ZACQAIPSSA-N 0 3 367.490 0.701 20 30 FCEDHN CS(=O)(=O)N1CCC[C@@H]1CNC[C@H](O)COc1ccc(CC#N)cc1 ZINC000579827361 491706191 /nfs/dbraw/zinc/70/61/91/491706191.db2.gz MLRMQXMRIGYHLZ-CVEARBPZSA-N 0 3 367.471 0.506 20 30 FCEDHN CN(C)[C@@H](CNC(=O)C(=O)NC1CCN(CC#N)CC1)Cc1ccccc1 ZINC000585686816 491722182 /nfs/dbraw/zinc/72/21/82/491722182.db2.gz MIVACTOBDAZKAV-GOSISDBHSA-N 0 3 371.485 0.380 20 30 FCEDHN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](CO)CN1CCCC1 ZINC000588870002 491750769 /nfs/dbraw/zinc/75/07/69/491750769.db2.gz SAICWDCVQZGICL-MRXNPFEDSA-N 0 3 370.457 0.723 20 30 FCEDHN CC[C@@H](CN1CCCC1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000589422211 491761655 /nfs/dbraw/zinc/76/16/55/491761655.db2.gz ASUOAPGSUMEFNB-HNNXBMFYSA-N 0 3 364.471 0.827 20 30 FCEDHN COC1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)cn2)CC1 ZINC000590226564 491771017 /nfs/dbraw/zinc/77/10/17/491771017.db2.gz ZOXGONRIIDUYGW-UHFFFAOYSA-N 0 3 359.430 0.897 20 30 FCEDHN N#Cc1cnn2cc(CNC3CCN(S(=O)(=O)C4CC4)CC3)cnc12 ZINC000582905550 491831652 /nfs/dbraw/zinc/83/16/52/491831652.db2.gz 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491895432 /nfs/dbraw/zinc/89/54/32/491895432.db2.gz OGFCXUZGPMOMQT-CQSZACIVSA-N 0 3 360.462 1.280 20 30 FCEDHN COc1cc(C#N)ccc1NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000595197999 491898931 /nfs/dbraw/zinc/89/89/31/491898931.db2.gz ZOXKADKDONXPDZ-OAHLLOKOSA-N 0 3 372.425 0.875 20 30 FCEDHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000595284163 491912386 /nfs/dbraw/zinc/91/23/86/491912386.db2.gz NLZFIMFFDAVXIZ-ZDUSSCGKSA-N 0 3 363.487 0.902 20 30 FCEDHN C=CCCSCCNC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000595281488 491912403 /nfs/dbraw/zinc/91/24/03/491912403.db2.gz CFBBXOUKMQZYKW-AWEZNQCLSA-N 0 3 366.491 0.326 20 30 FCEDHN C[C@H](CNC(=O)C(=O)Nc1cc(F)cc(C#N)c1)CN1CCN(C)CC1 ZINC000602031552 491957926 /nfs/dbraw/zinc/95/79/26/491957926.db2.gz VXSQFPMXPGBBFZ-CYBMUJFWSA-N 0 3 361.421 0.636 20 30 FCEDHN CN(C)CCc1ccccc1NC(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000602077402 491960173 /nfs/dbraw/zinc/96/01/73/491960173.db2.gz CLLFKDXDDDMQCI-UHFFFAOYSA-N 0 3 357.458 0.787 20 30 FCEDHN COCCNCC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000595972160 491967299 /nfs/dbraw/zinc/96/72/99/491967299.db2.gz UQGKMWMGVDHTMB-UHFFFAOYSA-N 0 3 368.441 0.833 20 30 FCEDHN C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595981833 491968069 /nfs/dbraw/zinc/96/80/69/491968069.db2.gz QSJIXUSKPGYJHE-IAGOWNOFSA-N 0 3 370.453 0.014 20 30 FCEDHN Cn1c(NCC2CCN(Cc3ccncc3)CC2)c(C#N)c(=O)n(C)c1=O ZINC000596437121 491985759 /nfs/dbraw/zinc/98/57/59/491985759.db2.gz TUQBDCVQCGJHOO-UHFFFAOYSA-N 0 3 368.441 0.675 20 30 FCEDHN CCS(=O)(=O)N[C@@H](C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000596828111 492001785 /nfs/dbraw/zinc/00/17/85/492001785.db2.gz IGDAMYRMIOHYRM-AWEZNQCLSA-N 0 3 366.487 0.776 20 30 FCEDHN CCC[C@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)S(N)(=O)=O ZINC000596827239 492001984 /nfs/dbraw/zinc/00/19/84/492001984.db2.gz ARALTTCQEFRNHF-MRXNPFEDSA-N 0 3 366.487 0.906 20 30 FCEDHN CS[C@H]1CN(c2ccc(C#N)cc2CS(N)(=O)=O)C[C@H]1N(C)C ZINC000603329185 492027053 /nfs/dbraw/zinc/02/70/53/492027053.db2.gz KHKBCBTVAWSJLZ-CABCVRRESA-N 0 3 354.501 0.829 20 30 FCEDHN COc1cc(C#N)ccc1S(=O)(=O)NCCCN1CCCN(C)CC1 ZINC000603402552 492030893 /nfs/dbraw/zinc/03/08/93/492030893.db2.gz KWSKIIZGDQZDTJ-UHFFFAOYSA-N 0 3 366.487 0.873 20 30 FCEDHN CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000597404073 492036449 /nfs/dbraw/zinc/03/64/49/492036449.db2.gz GHVNMERYBJSRRY-GOSISDBHSA-N 0 3 370.453 0.886 20 30 FCEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000604482206 492061732 /nfs/dbraw/zinc/06/17/32/492061732.db2.gz ZEZCIAQHXOYTEE-UHFFFAOYSA-N 0 3 355.398 0.562 20 30 FCEDHN N#CC(CCc1ccccc1)C(=O)N1CCCC[C@@H]1CNS(N)(=O)=O ZINC000597736676 492062719 /nfs/dbraw/zinc/06/27/19/492062719.db2.gz NCFAXJOOLPKJOE-JKSUJKDBSA-N 0 3 364.471 0.933 20 30 FCEDHN C=CCN1CCC(NC(=O)NCc2cc(S(N)(=O)=O)ccc2F)CC1 ZINC000604659200 492067197 /nfs/dbraw/zinc/06/71/97/492067197.db2.gz CBRNQIXHHVBKSR-UHFFFAOYSA-N 0 3 370.450 0.923 20 30 FCEDHN CCCN1CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000598342207 492095472 /nfs/dbraw/zinc/09/54/72/492095472.db2.gz KGUZJGXNNNOZPD-ZFWWWQNUSA-N 0 3 364.471 0.826 20 30 FCEDHN COc1cc(C#N)ccc1OCCN1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000599574817 492190647 /nfs/dbraw/zinc/19/06/47/492190647.db2.gz CQUOINJJDBEAQQ-UHFFFAOYSA-N 0 3 370.413 0.973 20 30 FCEDHN N#CCc1ccc(OC[C@H](O)CN2CCC[C@@H](N3CCNC3=O)C2)cc1 ZINC000609635949 492217200 /nfs/dbraw/zinc/21/72/00/492217200.db2.gz ZSJOEOGPSFQZCN-IAGOWNOFSA-N 0 3 358.442 0.982 20 30 FCEDHN COCCN(C)CCCNC(=O)C(=O)Nc1cc(OC)c(C#N)cc1F ZINC000599939720 492219302 /nfs/dbraw/zinc/21/93/02/492219302.db2.gz LSEVFUKGIWFXDK-UHFFFAOYSA-N 0 3 366.393 0.729 20 30 FCEDHN COCCCN(C)CCNC(=O)C(=O)Nc1cc(OC)c(C#N)cc1F ZINC000599949395 492220781 /nfs/dbraw/zinc/22/07/81/492220781.db2.gz QHHHUIKDGCYEPU-UHFFFAOYSA-N 0 3 366.393 0.729 20 30 FCEDHN C[C@@H]1CCN(CCNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000610399633 492244342 /nfs/dbraw/zinc/24/43/42/492244342.db2.gz 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ZINC000648270410 492420298 /nfs/dbraw/zinc/42/02/98/492420298.db2.gz MSJDYLJMIQEDMF-UHFFFAOYSA-N 0 3 356.430 0.686 20 30 FCEDHN CN(C)CCn1nnnc1SCC#CCN1C(=O)c2ccccc2C1=O ZINC000629134491 492579418 /nfs/dbraw/zinc/57/94/18/492579418.db2.gz HWVUHPSMEXUWOY-UHFFFAOYSA-N 0 3 370.438 0.626 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccnc(OCCO)c2)CC1 ZINC000657628118 492768153 /nfs/dbraw/zinc/76/81/53/492768153.db2.gz ZSMUTFVJFLEYHO-UHFFFAOYSA-N 0 3 362.430 0.548 20 30 FCEDHN C=CCCc1ccccc1NC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000651957688 492853463 /nfs/dbraw/zinc/85/34/63/492853463.db2.gz IGVPPQNJKUUJSR-UHFFFAOYSA-N 0 3 372.469 0.976 20 30 FCEDHN O=C1CC[C@@H]2CN(CC#CCN3CC[C@@H]4NC(=O)CC[C@@H]4C3)CC[C@@H]2N1 ZINC000661602095 493451510 /nfs/dbraw/zinc/45/15/10/493451510.db2.gz PYGJQZCJOSLONC-BDXSIMOUSA-N 0 3 358.486 0.191 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H]2COc3c(cccc3OC)C2)CC1 ZINC000672270932 493748759 /nfs/dbraw/zinc/74/87/59/493748759.db2.gz YGJZRHRWKDFYSL-INIZCTEOSA-N 0 3 373.453 0.882 20 30 FCEDHN C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 ZINC000409560669 534228652 /nfs/dbraw/zinc/22/86/52/534228652.db2.gz GTLONUDKWIACOS-QXSJWSMHSA-N 0 3 356.492 0.793 20 30 FCEDHN C=CCc1cc(CNC(=O)C(=O)N2CCC[C@@H]2CN)cc(OC)c1OC ZINC000419355634 534415347 /nfs/dbraw/zinc/41/53/47/534415347.db2.gz GMUNHOYNURQKLF-OAHLLOKOSA-N 0 3 361.442 0.998 20 30 FCEDHN C[NH+]=C(NCC[N-]S(=O)(=O)c1cccs1)N1CC[C@@]2(CCOC2)C1 ZINC000158133627 526360590 /nfs/dbraw/zinc/36/05/90/526360590.db2.gz PTPKJHWPBRQHNT-OAHLLOKOSA-N 0 3 372.516 0.714 20 30 FCEDHN CC#CCNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000190535089 526366551 /nfs/dbraw/zinc/36/65/51/526366551.db2.gz WTWLNUJAVJTBHZ-QGZVFWFLSA-N 0 3 370.453 0.931 20 30 FCEDHN C[NH+]=C(NCc1ccc([O-])c(F)c1)N[C@H]1CCc2nc(COC)nn2C1 ZINC000159137921 526414723 /nfs/dbraw/zinc/41/47/23/526414723.db2.gz KWZAYRGNZPHKTC-LBPRGKRZSA-N 0 3 362.409 0.949 20 30 FCEDHN C=CCN1CCC(NC(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000173197714 526440162 /nfs/dbraw/zinc/44/01/62/526440162.db2.gz VARNFQKBMJLQFC-HNNXBMFYSA-N 0 3 360.462 0.783 20 30 FCEDHN C=CCNC(=O)CNC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000180414774 526551453 /nfs/dbraw/zinc/55/14/53/526551453.db2.gz IVHKTGXEIQZXKW-UHFFFAOYSA-N 0 3 373.501 0.796 20 30 FCEDHN C=CCNC(=O)CNC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000180414350 526551758 /nfs/dbraw/zinc/55/17/58/526551758.db2.gz XAVVIHCTJYWCEY-SFHVURJKSA-N 0 3 373.501 0.967 20 30 FCEDHN C=CCNC(=O)CNC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000378520072 526568682 /nfs/dbraw/zinc/56/86/82/526568682.db2.gz QYFUOIHPAKKCMG-UHFFFAOYSA-N 0 3 368.441 0.596 20 30 FCEDHN C=CCNC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nc1 ZINC000151623975 526641399 /nfs/dbraw/zinc/64/13/99/526641399.db2.gz ZUXANHWAKUGWHP-INIZCTEOSA-N 0 3 357.458 0.740 20 30 FCEDHN C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000190292905 527218235 /nfs/dbraw/zinc/21/82/35/527218235.db2.gz DMLCAYGCKIQPAR-PBHICJAKSA-N 0 3 370.453 0.929 20 30 FCEDHN C#Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000127512364 527444708 /nfs/dbraw/zinc/44/47/08/527444708.db2.gz PRYDCTFSFHYIGQ-QGZVFWFLSA-N 0 3 368.437 0.371 20 30 FCEDHN C#Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000127512603 527444827 /nfs/dbraw/zinc/44/48/27/527444827.db2.gz PRYDCTFSFHYIGQ-KRWDZBQOSA-N 0 3 368.437 0.371 20 30 FCEDHN C#Cc1cccc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(CC)CC2)c1 ZINC000174769429 527445549 /nfs/dbraw/zinc/44/55/49/527445549.db2.gz BOVYAAYWYKHREZ-MRXNPFEDSA-N 0 3 356.470 0.996 20 30 FCEDHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)N(CC)C[C@H](C)C#N)CC1 ZINC000410149336 528085205 /nfs/dbraw/zinc/08/52/05/528085205.db2.gz HRKIZHRXCKZQLX-OAHLLOKOSA-N 0 3 373.523 0.199 20 30 FCEDHN CCN(CCC#N)S(=O)(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000409494088 528379190 /nfs/dbraw/zinc/37/91/90/528379190.db2.gz BPZJYAVVPIQHKN-UHFFFAOYSA-N 0 3 371.551 0.816 20 30 FCEDHN CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)N(C)C[C@@H](C)C#N ZINC000409591010 529071984 /nfs/dbraw/zinc/07/19/84/529071984.db2.gz IBQDJAJNUBRPSU-JKSUJKDBSA-N 0 3 359.540 0.671 20 30 FCEDHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cccc(C#N)c2C)CC1 ZINC000178417077 529151674 /nfs/dbraw/zinc/15/16/74/529151674.db2.gz LLUXWDCVDBXWSQ-CQSZACIVSA-N 0 3 357.458 0.947 20 30 FCEDHN CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000128274336 529295893 /nfs/dbraw/zinc/29/58/93/529295893.db2.gz KBYORFUGXZQTGX-GFCCVEGCSA-N 0 3 373.413 0.903 20 30 FCEDHN O=C(N[C@H]1CCN(C2CC2)C1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000329296906 546551902 /nfs/dbraw/zinc/55/19/02/546551902.db2.gz KRSKPUUSNVVIOT-HNNXBMFYSA-N 0 3 350.463 0.708 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCN(CC)C(=O)[C@H]2CC)CC1 ZINC000553330081 547270183 /nfs/dbraw/zinc/27/01/83/547270183.db2.gz WZEVAGZRSRSDAG-OAHLLOKOSA-N 0 3 350.463 0.222 20 30 FCEDHN C=CCN(CCOC)C(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000553599944 547293379 /nfs/dbraw/zinc/29/33/79/547293379.db2.gz MSNXAMDEVVHOOA-UHFFFAOYSA-N 0 3 355.479 0.653 20 30 FCEDHN Cc1cc2c(cc1C#N)[nH]nc2NC(=O)C1(S(C)(=O)=O)CCNCC1 ZINC000593916948 547371024 /nfs/dbraw/zinc/37/10/24/547371024.db2.gz RUABQPGSCRRVSY-UHFFFAOYSA-N 0 3 361.427 0.848 20 30 FCEDHN C=CC[N@@H+](CCC(=O)N(C)CC(=O)OC)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735418406 598621081 /nfs/dbraw/zinc/62/10/81/598621081.db2.gz CZAUZJPAKFQWTM-UHFFFAOYSA-N 0 3 372.429 0.876 20 30 FCEDHN C=CC[N@H+](CCC(=O)N(C)CC(=O)OC)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735418406 598621082 /nfs/dbraw/zinc/62/10/82/598621082.db2.gz CZAUZJPAKFQWTM-UHFFFAOYSA-N 0 3 372.429 0.876 20 30 FCEDHN CN(CCO)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000899738704 665960268 /nfs/dbraw/zinc/96/02/68/665960268.db2.gz MIWQWENDKMVGSA-CYBMUJFWSA-N 0 3 364.833 0.605 20 30 FCEDHN C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCN(C)C[C@@H]2C[NH3+])ccc1F ZINC000162272505 664058456 /nfs/dbraw/zinc/05/84/56/664058456.db2.gz BNPHURQBEYQVGQ-ZDUSSCGKSA-N 0 3 370.450 0.005 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(N(C)C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000985659652 665184314 /nfs/dbraw/zinc/18/43/14/665184314.db2.gz ADJRVYOCVSXDCQ-OIISXLGYSA-N 0 3 370.515 0.935 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(N(C)C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000985659662 665184373 /nfs/dbraw/zinc/18/43/73/665184373.db2.gz ADJRVYOCVSXDCQ-UAGQMJEPSA-N 0 3 370.515 0.935 20 30 FCEDHN C=CCc1ccc(OC[C@@H](O)CN[C@H]2CCS(=O)(=O)C2)c(OC)c1 ZINC000912761351 666475583 /nfs/dbraw/zinc/47/55/83/666475583.db2.gz OHQNLZGHVJMCOB-GJZGRUSLSA-N 0 3 355.456 0.940 20 30 FCEDHN C=CCN1CCC(NC(=O)NC2CCN(CCS(C)(=O)=O)CC2)CC1 ZINC000731757358 666837563 /nfs/dbraw/zinc/83/75/63/666837563.db2.gz DAKLGSORGVYFCB-UHFFFAOYSA-N 0 3 372.535 0.445 20 30 FCEDHN NC(=O)CNC(=S)NN=C1CCN(CCc2ccc(F)cc2)CC1 ZINC000731928794 666848453 /nfs/dbraw/zinc/84/84/53/666848453.db2.gz VAIWDOZXIOPDDF-UHFFFAOYSA-N 0 3 351.451 0.769 20 30 FCEDHN COc1cccc(OCC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)c1 ZINC000732908344 666909995 /nfs/dbraw/zinc/90/99/95/666909995.db2.gz JECLRIIMNUZCNE-CQSZACIVSA-N 0 3 366.395 0.040 20 30 FCEDHN CN(CC(=O)C(C#N)C(=O)NC1CC1)C1=NS(=O)(=O)c2ccccc21 ZINC000916930501 667037998 /nfs/dbraw/zinc/03/79/98/667037998.db2.gz GBFFOPGGYIOXCT-GFCCVEGCSA-N 0 3 360.395 0.055 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(CCN2CCNC2=O)CC1 ZINC001001850973 667511380 /nfs/dbraw/zinc/51/13/80/667511380.db2.gz IISTXMXJEWBDFI-CVEARBPZSA-N 0 3 350.463 0.431 20 30 FCEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H](C)n1nnnc1C(C)(C)C ZINC000755599212 667640703 /nfs/dbraw/zinc/64/07/03/667640703.db2.gz NQUSMMGQLGYZLG-VXGBXAGGSA-N 0 3 350.423 0.783 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCCC[C@@H]2C2OCCO2)CC1 ZINC000804890964 668050959 /nfs/dbraw/zinc/05/09/59/668050959.db2.gz CSLNTTQEDOQZEL-OAHLLOKOSA-N 0 3 351.447 0.507 20 30 FCEDHN C#C[C@H](NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)[C@H]1CCCO1 ZINC000773371883 668089424 /nfs/dbraw/zinc/08/94/24/668089424.db2.gz LKTYETXYOZQRIK-ARFHVFGLSA-N 0 3 350.463 0.409 20 30 FCEDHN C#C[C@H](NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)[C@H]1CCCO1 ZINC000773371884 668089488 /nfs/dbraw/zinc/08/94/88/668089488.db2.gz LKTYETXYOZQRIK-HRCADAONSA-N 0 3 350.463 0.409 20 30 FCEDHN N#Cc1c(N2CCC(CN3CCOCC3)CC2)cccc1S(N)(=O)=O ZINC000784570125 668664615 /nfs/dbraw/zinc/66/46/15/668664615.db2.gz BAQNGPLGGQMYSD-UHFFFAOYSA-N 0 3 364.471 0.754 20 30 FCEDHN O=S(=O)(c1ccc(N=NC2CCN(CCO)CC2)nc1)N1CCCC1 ZINC000819805817 669030978 /nfs/dbraw/zinc/03/09/78/669030978.db2.gz CMUYIBZJYMORLS-UHFFFAOYSA-N 0 3 367.475 0.722 20 30 FCEDHN CN(C)CCN1c2ccccc2C(=NN[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000807940980 669528130 /nfs/dbraw/zinc/52/81/30/669528130.db2.gz YZBWSGHCDODALN-GFCCVEGCSA-N 0 3 350.444 0.076 20 30 FCEDHN C#C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc1cccs1)[C@H]1CCCO1 ZINC000809307522 669618067 /nfs/dbraw/zinc/61/80/67/669618067.db2.gz FBXKDNIXXRWWGC-HZPDHXFCSA-N 0 3 363.483 0.935 20 30 FCEDHN CCOCCCNC(=O)C(C#N)C(=O)Cc1ccccc1S(C)(=O)=O ZINC000810527191 669687111 /nfs/dbraw/zinc/68/71/11/669687111.db2.gz JKXKQMQXEWDHKB-CQSZACIVSA-N 0 3 366.439 0.884 20 30 FCEDHN C[C@H](CC(=O)N1C[C@H](C)NC[C@@H]1C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000831540543 669849975 /nfs/dbraw/zinc/84/99/75/669849975.db2.gz WATYKECVLOCTPK-AGIUHOORSA-N 0 3 364.471 0.713 20 30 FCEDHN CON=CC(=O)N(C)CCN(CCN1CCCCC1)C(=O)C=NOC ZINC000816576556 669964734 /nfs/dbraw/zinc/96/47/34/669964734.db2.gz YZUCWTGXOVXUIV-UHFFFAOYSA-N 0 3 355.439 0.024 20 30 FCEDHN CC[NH2+][C@H](C)CNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000834690759 669970210 /nfs/dbraw/zinc/97/02/10/669970210.db2.gz BBZHVVORKNRGAJ-VXGBXAGGSA-N 0 3 352.460 0.618 20 30 FCEDHN C#CCN(C)CCCNC(=O)NCc1cccc(S(=O)(=O)N(C)C)c1 ZINC000836392778 670047829 /nfs/dbraw/zinc/04/78/29/670047829.db2.gz OKRQNKMIXCALQZ-UHFFFAOYSA-N 0 3 366.487 0.691 20 30 FCEDHN C#CCN(C)CCCNC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000836491486 670051302 /nfs/dbraw/zinc/05/13/02/670051302.db2.gz ULHPHTOHLXEIBR-HNNXBMFYSA-N 0 3 370.519 0.445 20 30 FCEDHN C#CCN(C)CCCNC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000836491487 670051555 /nfs/dbraw/zinc/05/15/55/670051555.db2.gz ULHPHTOHLXEIBR-OAHLLOKOSA-N 0 3 370.519 0.445 20 30 FCEDHN C#CCN(C)CCCNC(=O)CNS(=O)(=O)c1cccc(C(C)=O)c1 ZINC000843896325 670867268 /nfs/dbraw/zinc/86/72/68/670867268.db2.gz BXRSVEYDJIJSLC-UHFFFAOYSA-N 0 3 365.455 0.239 20 30 FCEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)Cc1nnn(C(C)(C)C)n1 ZINC000850752164 671407047 /nfs/dbraw/zinc/40/70/47/671407047.db2.gz LQBDWBMMNWFCGO-LBPRGKRZSA-N 0 3 350.423 0.611 20 30 FCEDHN C[C@@H](CC(=O)NCC1([NH3+])CCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000852851687 671527770 /nfs/dbraw/zinc/52/77/70/671527770.db2.gz HEGHTNWWAVAKLX-LBPRGKRZSA-N 0 3 364.471 0.891 20 30 FCEDHN CC1(C)C[NH2+]CC[C@@H](NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000872269839 672609839 /nfs/dbraw/zinc/60/98/39/672609839.db2.gz QKSWRFCLTKXHGW-GFCCVEGCSA-N 0 3 364.471 0.620 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NCC(=O)N2CCOCC2)C1 ZINC001000233985 676053600 /nfs/dbraw/zinc/05/36/00/676053600.db2.gz YCNMPJVMQXIYBN-OAGGEKHMSA-N 0 3 351.447 0.017 20 30 FCEDHN C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000877169775 673000958 /nfs/dbraw/zinc/00/09/58/673000958.db2.gz FWXUYNAULJQIOV-UPJWGTAASA-N 0 3 362.455 0.467 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NCCN(CCO)C(=O)CN(CC)CC ZINC001057660818 676093914 /nfs/dbraw/zinc/09/39/14/676093914.db2.gz GWUDQWKCBCZNLZ-CVEARBPZSA-N 0 3 355.479 0.247 20 30 FCEDHN CN(C(=O)C1CC2(C1)CNC[C@H]2C#N)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000884137340 673429677 /nfs/dbraw/zinc/42/96/77/673429677.db2.gz JYXYFQKIYXYMMD-OOLXCHQQSA-N 0 3 358.364 0.747 20 30 FCEDHN CCc1nsc(N2CCN(C(=O)C3CC4(C3)CNC[C@@H]4C#N)CC2)n1 ZINC000884226163 673439953 /nfs/dbraw/zinc/43/99/53/673439953.db2.gz MCJIPBXLMUJEFW-JZLYGMAVSA-N 0 3 360.487 0.888 20 30 FCEDHN CN(C)CC1(C(=O)N2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCCCC1 ZINC000885314740 673517038 /nfs/dbraw/zinc/51/70/38/673517038.db2.gz FONSPHBHKYJQDW-PBHICJAKSA-N 0 3 353.488 0.895 20 30 FCEDHN C#CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CC[NH+](C)CC1 ZINC000886580198 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ZINC001076344954 1194406308 /nfs/dbraw/zinc/40/63/08/1194406308.db2.gz HRJDXBLSFXSEFP-FUHWJXTLSA-N 0 3 369.473 0.977 20 30 FCEDHN C#Cc1ccc(C(=O)N2CC[C@H]3CN([C@H]4CCN(CC=C)C4=O)C[C@H]32)cn1 ZINC001076477128 1194516267 /nfs/dbraw/zinc/51/62/67/1194516267.db2.gz QWSLJFKXVRCSID-YTQUADARSA-N 0 3 364.449 0.996 20 30 FCEDHN C=CCN1CC[C@H](N2C[C@@H]3CCN(C(=O)Cn4ccccc4=O)[C@@H]3C2)C1=O ZINC001076554209 1194553120 /nfs/dbraw/zinc/55/31/20/1194553120.db2.gz JJBUQNISJBNCGO-YESZJQIVSA-N 0 3 370.453 0.168 20 30 FCEDHN C=CCN1CC[C@@H](N2C[C@@H]3CCN(C(=O)CCn4cc(C)cn4)[C@@H]3C2)C1=O ZINC001076606611 1194593530 /nfs/dbraw/zinc/59/35/30/1194593530.db2.gz JOBOHYKJLMIYKR-RCCFBDPRSA-N 0 3 371.485 0.901 20 30 FCEDHN C=CCN1CC[C@@H](N2C[C@H]3OCCN(C(=O)CN(CC)CC)[C@H]3C2)C1=O ZINC001218814429 1224230433 /nfs/dbraw/zinc/23/04/33/1224230433.db2.gz QXUTXTGNJIYJNR-IXDOHACOSA-N 0 3 364.490 0.027 20 30 FCEDHN C=CCC[C@H](C)N1C[C@H]2OCCN(C(=O)COCc3ncnn3C)[C@H]2C1 ZINC001218887388 1224249463 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ZINC000766256075 1198048680 /nfs/dbraw/zinc/04/86/80/1198048680.db2.gz IAZRPEKFPFARHE-MRXNPFEDSA-N 0 3 356.474 0.639 20 30 FCEDHN CC(C)NC(=O)C(C#N)C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O ZINC000741429622 1198096789 /nfs/dbraw/zinc/09/67/89/1198096789.db2.gz FJIGKLNQOANWJQ-LBPRGKRZSA-N 0 3 366.418 0.299 20 30 FCEDHN CN1CCC(n2c(=O)c(=Cc3ccc(C#N)o3)sc2=C(C#N)C#N)CC1 ZINC000743726305 1198278373 /nfs/dbraw/zinc/27/83/73/1198278373.db2.gz MIABPMAHVIHKGW-UHFFFAOYSA-N 0 3 365.418 0.668 20 30 FCEDHN COCCCNC(=O)C(C#N)C(=O)[C@@H](C)n1nnc(-c2ccccc2)n1 ZINC000744024563 1198303051 /nfs/dbraw/zinc/30/30/51/1198303051.db2.gz YTJOIVGSBLUHME-OCCSQVGLSA-N 0 3 356.386 0.763 20 30 FCEDHN COCCCNC(=O)C(C#N)C(=O)[C@H](C)n1nnc(-c2ccccc2)n1 ZINC000744024561 1198303706 /nfs/dbraw/zinc/30/37/06/1198303706.db2.gz YTJOIVGSBLUHME-JSGCOSHPSA-N 0 3 356.386 0.763 20 30 FCEDHN CN(C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1cnn(CC#N)c1 ZINC000746362996 1199011005 /nfs/dbraw/zinc/01/10/05/1199011005.db2.gz GNOHVZYAKNETQX-UHFFFAOYSA-N 0 3 354.414 0.936 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)CCCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001129369798 1199131298 /nfs/dbraw/zinc/13/12/98/1199131298.db2.gz GYVGGNRPRBPXQC-CVEARBPZSA-N 0 3 358.450 0.658 20 30 FCEDHN C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)[C@@H](O)C1 ZINC001219632966 1224538264 /nfs/dbraw/zinc/53/82/64/1224538264.db2.gz LICXOKNKYVPJKP-XHSDSOJGSA-N 0 3 366.506 0.103 20 30 FCEDHN C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCCOC ZINC001109121591 1200062929 /nfs/dbraw/zinc/06/29/29/1200062929.db2.gz DUKVJMMMNTTYBF-OWSLCNJRSA-N 0 3 370.490 0.715 20 30 FCEDHN C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3[nH]ncc31)C2 ZINC001109289769 1200142885 /nfs/dbraw/zinc/14/28/85/1200142885.db2.gz NUOJNVDEJQKMKM-OQUILHJVSA-N 0 3 355.442 0.301 20 30 FCEDHN C=CCN1CC[C@@H](N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN(C)C2CCC2)C3)C1=O ZINC001109410615 1200252183 /nfs/dbraw/zinc/25/21/83/1200252183.db2.gz LZATXXWOIXZJHE-VSZNYVQBSA-N 0 3 360.502 0.979 20 30 FCEDHN C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)CC(C)(C)C)C2 ZINC001109729065 1200490226 /nfs/dbraw/zinc/49/02/26/1200490226.db2.gz RXEJIDYQDDNFCX-YVSFHVDLSA-N 0 3 362.518 0.824 20 30 FCEDHN C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cnc[nH]1)C2 ZINC001109763331 1200511666 /nfs/dbraw/zinc/51/16/66/1200511666.db2.gz OKNCYHWSLCRYTP-IKGGRYGDSA-N 0 3 357.458 0.874 20 30 FCEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3n[nH]c(=O)n3c1)C2 ZINC001109833930 1200551511 /nfs/dbraw/zinc/55/15/11/1200551511.db2.gz AGXHWGQTPMKHQG-ILXRZTDVSA-N 0 3 357.414 0.973 20 30 FCEDHN CN(C)[C@H](C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@@H]1O)C1CC1 ZINC001219804308 1224624385 /nfs/dbraw/zinc/62/43/85/1224624385.db2.gz RWHKKNOTMIFFGG-SQNIBIBYSA-N 0 3 360.433 0.699 20 30 FCEDHN CN(C)[C@@H](C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@@H]1O)C1CC1 ZINC001219804307 1224624618 /nfs/dbraw/zinc/62/46/18/1224624618.db2.gz RWHKKNOTMIFFGG-FGTMMUONSA-N 0 3 360.433 0.699 20 30 FCEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(=O)N1CCOCC1)C2 ZINC001110070170 1200754556 /nfs/dbraw/zinc/75/45/56/1200754556.db2.gz NNBNCTRTSFSLBG-IKGGRYGDSA-N 0 3 365.474 0.550 20 30 FCEDHN N#CC(C(=O)Cc1nc2ncccn2n1)C(=O)NCc1ccc(F)c(F)c1 ZINC000786571003 1200843754 /nfs/dbraw/zinc/84/37/54/1200843754.db2.gz MWLJNEMCTDNJMP-NSHDSACASA-N 0 3 370.319 0.970 20 30 FCEDHN CC1CCN(CCNC(=O)C(=O)NCCNc2ncccc2C#N)CC1 ZINC000787651224 1200896413 /nfs/dbraw/zinc/89/64/13/1200896413.db2.gz JYCZOEYRSHJYID-UHFFFAOYSA-N 0 3 358.446 0.329 20 30 FCEDHN C#CCCCNC(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000787852683 1200915095 /nfs/dbraw/zinc/91/50/95/1200915095.db2.gz RRLAHMFLFRYIDY-UHFFFAOYSA-N 0 3 370.497 0.840 20 30 FCEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC2(C1)OCCO2)C(C)C ZINC000788444260 1200960825 /nfs/dbraw/zinc/96/08/25/1200960825.db2.gz PLWHNABUMQEBNR-MRXNPFEDSA-N 0 3 365.474 0.777 20 30 FCEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001086596100 1201132384 /nfs/dbraw/zinc/13/23/84/1201132384.db2.gz KKXQVPLAPMYXEC-RBUKOAKNSA-N 0 3 370.497 0.921 20 30 FCEDHN C#CCNC(=O)C1CCN(c2nc(NCC)nc(NC(C)(C)C)n2)CC1 ZINC000804396610 1201313783 /nfs/dbraw/zinc/31/37/83/1201313783.db2.gz GPZXRFBSEZLMBK-UHFFFAOYSA-N 0 3 359.478 0.902 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](n2ccnn2)C1 ZINC001129438053 1201316307 /nfs/dbraw/zinc/31/63/07/1201316307.db2.gz MMXZVCVIGMMOKL-CABCVRRESA-N 0 3 357.418 0.327 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H](CC(C)C)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129496293 1201334535 /nfs/dbraw/zinc/33/45/35/1201334535.db2.gz JUULWCNWMRKVQZ-OAGGEKHMSA-N 0 3 362.478 0.733 20 30 FCEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001086623036 1201337913 /nfs/dbraw/zinc/33/79/13/1201337913.db2.gz HJSOMSHOZHAOHT-DOTOQJQBSA-N 0 3 366.421 0.707 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2cc(CC)n[nH]2)C[C@@H]1n1ccnn1 ZINC001129603780 1201352621 /nfs/dbraw/zinc/35/26/21/1201352621.db2.gz KHHKPYWYCNQYSI-CVEARBPZSA-N 0 3 359.434 0.422 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)CC[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129603650 1201353040 /nfs/dbraw/zinc/35/30/40/1201353040.db2.gz DDVKGWBQRJJYOT-ZACQAIPSSA-N 0 3 363.462 0.781 20 30 FCEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC001086624508 1201371703 /nfs/dbraw/zinc/37/17/03/1201371703.db2.gz HYSNTKCIICMYMX-ZCNNSNEGSA-N 0 3 369.465 0.841 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@H]2CCCc3nccn32)C[C@@H]1n1ccnn1 ZINC001129892479 1201416356 /nfs/dbraw/zinc/41/63/56/1201416356.db2.gz ZKZRWCHKRYUCLE-OAGGEKHMSA-N 0 3 353.430 0.417 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2cc(C)nnc2C)C[C@@H]1n1ccnn1 ZINC001129876425 1201419425 /nfs/dbraw/zinc/41/94/25/1201419425.db2.gz PVVVDMUJMRNVQG-SJORKVTESA-N 0 3 371.445 0.543 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NC[C@H]2COC3(CCCCC3)O2)CC1 ZINC000804890990 1201468925 /nfs/dbraw/zinc/46/89/25/1201468925.db2.gz DGBLGBOSIZSSDR-INIZCTEOSA-N 0 3 365.474 0.945 20 30 FCEDHN C#CCCN[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CC)C[C@@H]1n1ccnn1 ZINC001130077732 1201495402 /nfs/dbraw/zinc/49/54/02/1201495402.db2.gz WVQKXMCPWDDVQX-OAGGEKHMSA-N 0 3 358.446 0.044 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C)n2C)[n-]1 ZINC001130183104 1201536230 /nfs/dbraw/zinc/53/62/30/1201536230.db2.gz QANKTNBAAHXBBA-ZFWWWQNUSA-N 0 3 356.430 0.477 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCc2ccco2)[n-]1 ZINC001130183003 1201536247 /nfs/dbraw/zinc/53/62/47/1201536247.db2.gz KPCBCXQUORBQDP-GJZGRUSLSA-N 0 3 357.414 0.742 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC2(OC)CCC2)[n-]1 ZINC001130205158 1201540966 /nfs/dbraw/zinc/54/09/66/1201540966.db2.gz SMMDJYOVLMLCTL-KBPBESRZSA-N 0 3 361.446 0.475 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](OC)C2CC2)[n-]1 ZINC001130210132 1201544284 /nfs/dbraw/zinc/54/42/84/1201544284.db2.gz XZDORXRRCSAGRU-DZKIICNBSA-N 0 3 361.446 0.331 20 30 FCEDHN C=C(C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@@H](C)C(N)=O)[n-]1 ZINC001130215697 1201546160 /nfs/dbraw/zinc/54/61/60/1201546160.db2.gz BZZJTQQERPALKU-AVGNSLFASA-N 0 3 364.450 0.113 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)COC)[n-]1 ZINC001130223130 1201552585 /nfs/dbraw/zinc/55/25/85/1201552585.db2.gz NJPFAYDUEIFAEV-KBPBESRZSA-N 0 3 363.462 0.579 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccnc2C)[n-]1 ZINC001130232882 1201558053 /nfs/dbraw/zinc/55/80/53/1201558053.db2.gz RUGKQCYYWRDPDU-HOTGVXAUSA-N 0 3 368.441 0.924 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H](C)n2cccc2)[n-]1 ZINC001130246346 1201566464 /nfs/dbraw/zinc/56/64/64/1201566464.db2.gz GXILUGJAIUYKCZ-JYJNAYRXSA-N 0 3 370.457 0.969 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H](C)n2cccn2)[n-]1 ZINC001130247076 1201567781 /nfs/dbraw/zinc/56/77/81/1201567781.db2.gz SXWIHKCZNSXNLR-KKUMJFAQSA-N 0 3 371.445 0.364 20 30 FCEDHN CC(C)[C@@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(CC#N)CC1)N(C)C ZINC001130293027 1201578710 /nfs/dbraw/zinc/57/87/10/1201578710.db2.gz JBIJKIWRYCSRAO-NJAFHUGGSA-N 0 3 363.506 0.572 20 30 FCEDHN C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCCn2ccnc2)CC1 ZINC001130310387 1201582913 /nfs/dbraw/zinc/58/29/13/1201582913.db2.gz DYYHNLMDFNKELE-XLIONFOSSA-N 0 3 371.485 0.772 20 30 FCEDHN C=C[C@H](O)CN1CCC2(CC1)C(=O)N([C@@H](C)C(C)=O)C[C@@H]2C(=O)OCC ZINC001276809144 1224685017 /nfs/dbraw/zinc/68/50/17/1224685017.db2.gz AHKWYYWTAQMTLM-CWRNSKLLSA-N 0 3 366.458 0.615 20 30 FCEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@@H](O)C1 ZINC001220055071 1224739677 /nfs/dbraw/zinc/73/96/77/1224739677.db2.gz HOSBSPVBNSFRMG-WQVCFCJDSA-N 0 3 357.418 0.187 20 30 FCEDHN CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc3nn[n-]c32)C[C@H]1c1cn(C)cn1 ZINC001130600916 1202725952 /nfs/dbraw/zinc/72/59/52/1202725952.db2.gz SPWULNQTZZKFEO-WMLDXEAASA-N 0 3 363.425 0.913 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H](C)NC(=O)C2CCC2)C[C@H]1c1cn(C)cn1 ZINC001130739713 1202770841 /nfs/dbraw/zinc/77/08/41/1202770841.db2.gz LKAGSYXFLXWEMB-JLJPHGGASA-N 0 3 359.474 0.795 20 30 FCEDHN COCC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C(C)(C)F)n[n-]2)O1 ZINC001130749338 1202775547 /nfs/dbraw/zinc/77/55/47/1202775547.db2.gz FVYSEIDELSRQCJ-QWHCGFSZSA-N 0 3 367.425 0.629 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnccn3)n[n-]2)O1 ZINC001130749286 1202775878 /nfs/dbraw/zinc/77/58/78/1202775878.db2.gz CHLADEARUHXOHD-GXTWGEPZSA-N 0 3 355.402 0.358 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cnccn3)n2)O1 ZINC001130749286 1202775882 /nfs/dbraw/zinc/77/58/82/1202775882.db2.gz CHLADEARUHXOHD-GXTWGEPZSA-N 0 3 355.402 0.358 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cncc(F)c3)n[n-]2)O1 ZINC001130774843 1202782899 /nfs/dbraw/zinc/78/28/99/1202782899.db2.gz DRAFCKCDUGZXBI-UONOGXRCSA-N 0 3 358.377 0.712 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cncc(F)c3)n2)O1 ZINC001130774843 1202782903 /nfs/dbraw/zinc/78/29/03/1202782903.db2.gz DRAFCKCDUGZXBI-UONOGXRCSA-N 0 3 358.377 0.712 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@H]3CCOC3)n[n-]2)O1 ZINC001130770187 1202786770 /nfs/dbraw/zinc/78/67/70/1202786770.db2.gz WYRQYWSPYLCMPZ-QLFBSQMISA-N 0 3 361.446 0.681 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)C[C@H]3CCOC3)n2)O1 ZINC001130770187 1202786772 /nfs/dbraw/zinc/78/67/72/1202786772.db2.gz WYRQYWSPYLCMPZ-QLFBSQMISA-N 0 3 361.446 0.681 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccnn3CC)n[n-]2)O1 ZINC001130778271 1202791972 /nfs/dbraw/zinc/79/19/72/1202791972.db2.gz OKSHDDGXEQKEFR-DZGCQCFKSA-N 0 3 371.445 0.784 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3ccnn3CC)n2)O1 ZINC001130778271 1202791976 /nfs/dbraw/zinc/79/19/76/1202791976.db2.gz OKSHDDGXEQKEFR-DZGCQCFKSA-N 0 3 371.445 0.784 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3c(C)nn(C)c3C)n[n-]2)O1 ZINC001130794498 1202795030 /nfs/dbraw/zinc/79/50/30/1202795030.db2.gz WFHRQLCASUQSIR-UONOGXRCSA-N 0 3 371.445 0.528 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3c(C)nn(C)c3C)n2)O1 ZINC001130794498 1202795034 /nfs/dbraw/zinc/79/50/34/1202795034.db2.gz WFHRQLCASUQSIR-UONOGXRCSA-N 0 3 371.445 0.528 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC(C)(C)COC)n[n-]2)O1 ZINC001130794046 1202795047 /nfs/dbraw/zinc/79/50/47/1202795047.db2.gz JVJSXDCHHCDWCO-UONOGXRCSA-N 0 3 363.462 0.927 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)CC(C)(C)COC)n2)O1 ZINC001130794046 1202795051 /nfs/dbraw/zinc/79/50/51/1202795051.db2.gz JVJSXDCHHCDWCO-UONOGXRCSA-N 0 3 363.462 0.927 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](OC)C3CCC3)n[n-]2)O1 ZINC001130794101 1202795496 /nfs/dbraw/zinc/79/54/96/1202795496.db2.gz MJIDVCFHDQIAMN-SQWLQELKSA-N 0 3 361.446 0.679 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@H](OC)C3CCC3)n2)O1 ZINC001130794101 1202795497 /nfs/dbraw/zinc/79/54/97/1202795497.db2.gz MJIDVCFHDQIAMN-SQWLQELKSA-N 0 3 361.446 0.679 20 30 FCEDHN COCC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3(C)CC3)n[n-]2)O1 ZINC001130787377 1202797110 /nfs/dbraw/zinc/79/71/10/1202797110.db2.gz NMFBTQORRLMHEA-UONOGXRCSA-N 0 3 361.446 0.681 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnn(C)c3CC)n[n-]2)O1 ZINC001130790183 1202798415 /nfs/dbraw/zinc/79/84/15/1202798415.db2.gz LORCPRVBLZPMFM-SWLSCSKDSA-N 0 3 371.445 0.474 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cnn(C)c3CC)n2)O1 ZINC001130790183 1202798417 /nfs/dbraw/zinc/79/84/17/1202798417.db2.gz LORCPRVBLZPMFM-SWLSCSKDSA-N 0 3 371.445 0.474 20 30 FCEDHN C=CCCC(=O)N1C[C@@H](c2cncn2C)[C@H](NCCN2CCCC2=O)C1 ZINC001130935869 1202823367 /nfs/dbraw/zinc/82/33/67/1202823367.db2.gz PAVIVSNYIQDJSY-HZPDHXFCSA-N 0 3 359.474 0.893 20 30 FCEDHN CC(C)C#CC(=O)N1C[C@@H](c2cncn2C)[C@H](NCCN2CCCC2=O)C1 ZINC001130991708 1202838361 /nfs/dbraw/zinc/83/83/61/1202838361.db2.gz ZKOKIJQOIZMEGX-IAGOWNOFSA-N 0 3 371.485 0.586 20 30 FCEDHN Cc1nc(CN[C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2c2cncn2C)n[nH]1 ZINC001130985384 1202839620 /nfs/dbraw/zinc/83/96/20/1202839620.db2.gz HLWFTEMORRORTI-HUUCEWRRSA-N 0 3 369.473 0.980 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2cnc3[nH]cnc3c2)C[C@H]1c1cncn1C ZINC001131001654 1202840579 /nfs/dbraw/zinc/84/05/79/1202840579.db2.gz HNOPHNOPJMQLQI-GDBMZVCRSA-N 0 3 363.425 0.913 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1c1cncn1C ZINC001131010313 1202844035 /nfs/dbraw/zinc/84/40/35/1202844035.db2.gz IZPLHRQZVDPYRO-UKRRQHHQSA-N 0 3 354.414 0.230 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2cnn(CCF)c2)C[C@H]1c1cncn1C ZINC001131019948 1202846405 /nfs/dbraw/zinc/84/64/05/1202846405.db2.gz IAJPDQYWOTVFEX-HZPDHXFCSA-N 0 3 358.421 0.807 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2ccc3nnnn3c2)C[C@H]1c1cncn1C ZINC001131028719 1202848743 /nfs/dbraw/zinc/84/87/43/1202848743.db2.gz FDDTUMOKBXAGJU-HUUCEWRRSA-N 0 3 364.413 0.079 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)COCc2ncc(C)o2)C[C@H]1c1cncn1C ZINC001131029075 1202849121 /nfs/dbraw/zinc/84/91/21/1202849121.db2.gz ZIEJHMFWYXOHJL-HUUCEWRRSA-N 0 3 357.414 0.451 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@]2(COC)CCOC2)C[C@H]1c1cncn1C ZINC001131038340 1202849704 /nfs/dbraw/zinc/84/97/04/1202849704.db2.gz MXABNPSEWWMTAH-MDZRGWNJSA-N 0 3 360.458 0.381 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)C[C@H]1c1cncn1C ZINC001131033737 1202850343 /nfs/dbraw/zinc/85/03/43/1202850343.db2.gz UOKCFSKNFQWCSS-QBPKDAKJSA-N 0 3 366.469 0.865 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2ncn(C(C)(C)C)n2)C[C@H]1c1cncn1C ZINC001131070397 1202856325 /nfs/dbraw/zinc/85/63/25/1202856325.db2.gz SZDLSEGQIZUVEK-HUUCEWRRSA-N 0 3 369.473 0.988 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)CCCC(=O)NC(C)C)C[C@H]1c1cncn1C ZINC001131113330 1202862958 /nfs/dbraw/zinc/86/29/58/1202862958.db2.gz XDHKEXGEMAHQNW-HZPDHXFCSA-N 0 3 359.474 0.632 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)C[C@@H]2CCCCC(=O)N2)C[C@H]1c1cncn1C ZINC001131117606 1202865124 /nfs/dbraw/zinc/86/51/24/1202865124.db2.gz HAZUEAGHRMGUKB-GVDBMIGSSA-N 0 3 371.485 0.776 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)CCCc2nc(C)no2)C[C@H]1c1cncn1C ZINC001131121302 1202865783 /nfs/dbraw/zinc/86/57/83/1202865783.db2.gz RHLVXTCWWIWXEE-HUUCEWRRSA-N 0 3 356.430 0.652 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)CCC(=O)N(CC)CC)C[C@H]1c1cncn1C ZINC001131130555 1202869017 /nfs/dbraw/zinc/86/90/17/1202869017.db2.gz SJLYSIINDDTJOD-HZPDHXFCSA-N 0 3 359.474 0.586 20 30 FCEDHN CC#CCN1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001131316503 1202886334 /nfs/dbraw/zinc/88/63/34/1202886334.db2.gz LODVEFGTHUAXAK-BBWFWOEESA-N 0 3 362.474 0.457 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001131416701 1202895484 /nfs/dbraw/zinc/89/54/84/1202895484.db2.gz MPPVAOZWSSPVIY-NUJGCVRESA-N 0 3 365.474 0.453 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)COCCC)CC1 ZINC001131445409 1202899130 /nfs/dbraw/zinc/89/91/30/1202899130.db2.gz WNTJGEXMGDVPIO-APWZRJJASA-N 0 3 365.474 0.148 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C)COC)CC1 ZINC001131445300 1202899297 /nfs/dbraw/zinc/89/92/97/1202899297.db2.gz RADIRDCTYHOYHF-KYJSFNMBSA-N 0 3 367.490 0.557 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC2(F)F)CC1 ZINC001131490991 1202902688 /nfs/dbraw/zinc/90/26/88/1202902688.db2.gz KWLOIUWYVWDTLQ-NFAWXSAZSA-N 0 3 370.400 0.267 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCCNCC(=O)NCc1cc(F)cc(F)c1 ZINC001134054364 1203009922 /nfs/dbraw/zinc/00/99/22/1203009922.db2.gz HBPUWHOTWZEFFR-CVEARBPZSA-N 0 3 367.396 0.878 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001134145258 1203015423 /nfs/dbraw/zinc/01/54/23/1203015423.db2.gz TZFUPSBPIQVTGO-AEGPPILISA-N 0 3 359.430 0.291 20 30 FCEDHN C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@H]1c1ccccc1F ZINC001135042275 1203037606 /nfs/dbraw/zinc/03/76/06/1203037606.db2.gz QVNOBPWZMAWBCR-UONOGXRCSA-N 0 3 362.405 0.647 20 30 FCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC)c1 ZINC000815860342 1203055576 /nfs/dbraw/zinc/05/55/76/1203055576.db2.gz HQYOINILZLNWGN-UHFFFAOYSA-N 0 3 358.442 0.788 20 30 FCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(N2CCNC2=O)ccc1C ZINC000815861059 1203055804 /nfs/dbraw/zinc/05/58/04/1203055804.db2.gz OUGYLIDWUCFOGV-UHFFFAOYSA-N 0 3 371.441 0.534 20 30 FCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(C(=O)NCC)cc1C ZINC000815860470 1203055815 /nfs/dbraw/zinc/05/58/15/1203055815.db2.gz MPVBRWANVAHOFP-UHFFFAOYSA-N 0 3 358.442 0.755 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1c1ccc(OC)cc1 ZINC001090863118 1203317940 /nfs/dbraw/zinc/31/79/40/1203317940.db2.gz BCUDTFZHWIEELB-ZWKOTPCHSA-N 0 3 355.438 0.835 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1c1ccc(OC)cc1 ZINC001090871228 1203322292 /nfs/dbraw/zinc/32/22/92/1203322292.db2.gz ZBYWTROTVRZTMA-DLBZAZTESA-N 0 3 353.426 0.842 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1c1ccc(OC)cc1 ZINC001090875314 1203325753 /nfs/dbraw/zinc/32/57/53/1203325753.db2.gz MZXBPFOGERKQJL-RYQLBKOJSA-N 0 3 355.438 0.739 20 30 FCEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000845443935 1204501051 /nfs/dbraw/zinc/50/10/51/1204501051.db2.gz JBDMKNBLCMHFTL-CYBMUJFWSA-N 0 3 363.418 0.021 20 30 FCEDHN CC(C)[C@@H](C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O)N1CCCC1 ZINC001091110539 1204509079 /nfs/dbraw/zinc/50/90/79/1204509079.db2.gz AIPHVSXBACNBIS-RYRKJORJSA-N 0 3 357.458 0.739 20 30 FCEDHN CCCCCCN(C)CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O ZINC001091130182 1204535214 /nfs/dbraw/zinc/53/52/14/1204535214.db2.gz SKWRDTZJLCZASH-CABCVRRESA-N 0 3 360.462 0.526 20 30 FCEDHN N=C(Nc1ccc(C(=O)N2CCNCC2)cc1)c1ccc(C(N)=O)cc1 ZINC001171258699 1204674966 /nfs/dbraw/zinc/67/49/66/1204674966.db2.gz KPDSMVZKJLZABN-UHFFFAOYSA-N 0 3 351.410 0.868 20 30 FCEDHN C[C@@]12CN(Cc3ccc(C#N)cc3)C[C@@H]1CN(C(=O)CN1CN=NC1=O)C2 ZINC001091609892 1204754110 /nfs/dbraw/zinc/75/41/10/1204754110.db2.gz NDLBYUCPHNPONA-APWZRJJASA-N 0 3 366.425 0.836 20 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FCEDHN Cn1cncc1C[C@H](N)C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC001220643632 1224982692 /nfs/dbraw/zinc/98/26/92/1224982692.db2.gz MWUTYMDGPSNCLE-SFHVURJKSA-N 0 3 366.469 0.964 20 30 FCEDHN O=C(C#CC1CC1)N1CC[C@H]2CN(C[C@H](O)COC3CCOCC3)C[C@H]21 ZINC001187833881 1207397886 /nfs/dbraw/zinc/39/78/86/1207397886.db2.gz WUDYPIBFRXMUED-JENIJYKNSA-N 0 3 362.470 0.489 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)c3ccc4cncn4c3)[C@@H]2C1 ZINC001188562800 1207463398 /nfs/dbraw/zinc/46/33/98/1207463398.db2.gz SEGXJDCVFOBKCO-RVKKMQEKSA-N 0 3 365.437 0.619 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)[C@@H]2C1 ZINC001189136376 1207512083 /nfs/dbraw/zinc/51/20/83/1207512083.db2.gz WUJVXTUYDRQXMD-IXDOHACOSA-N 0 3 360.502 0.389 20 30 FCEDHN COCC#CCN1C[C@@H]2CCN(C(=O)CCCCN3CCOCC3)[C@@H]2C1 ZINC001189425835 1207548052 /nfs/dbraw/zinc/54/80/52/1207548052.db2.gz RJOHKEGLWDQIEF-RBUKOAKNSA-N 0 3 363.502 0.671 20 30 FCEDHN CCCN(C)CC(=O)N1CC[C@H]2CN(CC(=O)N(CC)CCC#N)C[C@H]21 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ZINC001227363285 1225871439 /nfs/dbraw/zinc/87/14/39/1225871439.db2.gz VKSKATXKFJBOML-RRFJBIMHSA-N 0 3 365.478 0.096 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(C(C)=O)C1 ZINC001227355583 1225871616 /nfs/dbraw/zinc/87/16/16/1225871616.db2.gz ITOAMSTWKGSQAP-BRWVUGGUSA-N 0 3 364.490 0.564 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1Cc2ccccc2O1 ZINC001227380945 1225872076 /nfs/dbraw/zinc/87/20/76/1225872076.db2.gz RHYQRCRKJNMCTH-BFYDXBDKSA-N 0 3 356.426 0.647 20 30 FCEDHN Cc1nc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)c2ccccn12 ZINC001227467853 1225876120 /nfs/dbraw/zinc/87/61/20/1225876120.db2.gz MVNVHMJXIXWTOD-HUUCEWRRSA-N 0 3 368.441 0.913 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1onc2c1CCCC2 ZINC001227475039 1225876592 /nfs/dbraw/zinc/87/65/92/1225876592.db2.gz NYPRESKIJOQKQB-HZPDHXFCSA-N 0 3 358.442 0.933 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(CC)[nH]c(=O)c1 ZINC001227542943 1225878299 /nfs/dbraw/zinc/87/82/99/1225878299.db2.gz 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C=CCN[C@@H]1CN(C(=O)CCc2ccc(OC)nc2)C[C@@H]1n1ccnn1 ZINC001070231994 1219309625 /nfs/dbraw/zinc/30/96/25/1219309625.db2.gz ZQHLECGPTQYYMG-CVEARBPZSA-N 0 3 356.430 0.842 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2nnc3ccccc3n2)C[C@@H]1n1ccnn1 ZINC001070234844 1219310927 /nfs/dbraw/zinc/31/09/27/1219310927.db2.gz KEOIVYIRRSVJGB-CABCVRRESA-N 0 3 350.386 0.458 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2COCCN2CCCC)C[C@@H]1n1ccnn1 ZINC001070241456 1219312854 /nfs/dbraw/zinc/31/28/54/1219312854.db2.gz HFWTZRJCDMIWNX-IXDOHACOSA-N 0 3 362.478 0.307 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1occ2c1CCOC2 ZINC001227734984 1225883264 /nfs/dbraw/zinc/88/32/64/1225883264.db2.gz WJEBKOKSNPOZJH-HUUCEWRRSA-N 0 3 360.414 0.623 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C2CC2)C[C@@H]1n1ccnn1 ZINC001070290620 1219352386 /nfs/dbraw/zinc/35/23/86/1219352386.db2.gz HJXDMUCJUIMTFH-PMPSAXMXSA-N 0 3 358.446 0.207 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)C(=O)N2CCC(C)CC2)C[C@@H]1n1ccnn1 ZINC001070289834 1219352410 /nfs/dbraw/zinc/35/24/10/1219352410.db2.gz YIYOOGYMEHACFI-CVEARBPZSA-N 0 3 360.462 0.454 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cnn3cccc(OC)c23)C[C@@H]1n1ccnn1 ZINC001070295091 1219355311 /nfs/dbraw/zinc/35/53/11/1219355311.db2.gz MBANDCMHGCJXNW-CABCVRRESA-N 0 3 367.413 0.776 20 30 FCEDHN CN(C)Cc1cccc(C(=O)N2C[C@@H](NCC#N)[C@@H](n3ccnn3)C2)c1 ZINC001070332743 1219382587 /nfs/dbraw/zinc/38/25/87/1219382587.db2.gz SLOZSPYIGBWGQK-SJORKVTESA-N 0 3 353.430 0.519 20 30 FCEDHN CC(=O)NCc1nc([C@H]2CCO[C@H]2CNCc2ccccc2C#N)n[nH]1 ZINC001070353136 1219390107 /nfs/dbraw/zinc/39/01/07/1219390107.db2.gz AEGLXCCYNCWCSZ-HOTGVXAUSA-N 0 3 354.414 0.975 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1c(C)c(C)n[nH]c1=O ZINC001227878880 1225889364 /nfs/dbraw/zinc/88/93/64/1225889364.db2.gz VQHWZECQQLXSPA-ZIAGYGMSSA-N 0 3 361.446 0.732 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cnn(CC)n2)CC1 ZINC001070370824 1219401233 /nfs/dbraw/zinc/40/12/33/1219401233.db2.gz NPCZFHVUVIARFR-PBHICJAKSA-N 0 3 360.462 0.573 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@H]2CCNC2=O)CC1 ZINC001070372787 1219402408 /nfs/dbraw/zinc/40/24/08/1219402408.db2.gz HAHQNULWOCSBTP-RKVPGOIHSA-N 0 3 362.474 0.174 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cn2cncc2C)CC1 ZINC001070375306 1219404005 /nfs/dbraw/zinc/40/40/05/1219404005.db2.gz ZFFJZFABHMHODA-XLIONFOSSA-N 0 3 371.485 0.690 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@]2(C)CCOC2)CC1 ZINC001070380642 1219406545 /nfs/dbraw/zinc/40/65/45/1219406545.db2.gz ROLPSGSOCRMUIT-IMFGXOCKSA-N 0 3 361.486 0.912 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2ccnc(C)n2)CC1 ZINC001070382672 1219407562 /nfs/dbraw/zinc/40/75/62/1219407562.db2.gz LQDQJLZYRCHAGP-APWZRJJASA-N 0 3 369.469 0.897 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](CCC)OC ZINC001227926129 1225890660 /nfs/dbraw/zinc/89/06/60/1225890660.db2.gz XUPHIMQKUZQSOW-KFWWJZLASA-N 0 3 368.478 0.830 20 30 FCEDHN Cn1cnc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2NCc2ccnn2C)c1 ZINC001070492084 1219437355 /nfs/dbraw/zinc/43/73/55/1219437355.db2.gz QAJHBCROUGAQIE-FUHWJXTLSA-N 0 3 352.442 0.651 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2CCc3nnn(C)c3C2)C[C@H]1c1cn(C)cn1 ZINC001070526354 1219454385 /nfs/dbraw/zinc/45/43/85/1219454385.db2.gz FTIDLAJSDYLPMI-GRDNDAEWSA-N 0 3 369.473 0.424 20 30 FCEDHN C=CCCn1cc(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H](NCC=C)C2)nn1 ZINC001070544307 1219461686 /nfs/dbraw/zinc/46/16/86/1219461686.db2.gz QKHVWUFPBICIGN-GOEBONIOSA-N 0 3 355.446 0.972 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C(C)(C)N2CCOCC2)C[C@H]1c1cn(C)cn1 ZINC001070546927 1219462044 /nfs/dbraw/zinc/46/20/44/1219462044.db2.gz MNBKZNNCNXKNIW-DOTOQJQBSA-N 0 3 361.490 0.601 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc3n[nH]c(=O)n3c2)C[C@H]1c1cn(C)cn1 ZINC001070545506 1219462271 /nfs/dbraw/zinc/46/22/71/1219462271.db2.gz ZHFRKHGSPAQVSP-DZGCQCFKSA-N 0 3 367.413 0.552 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccnc3nc(C)nn32)C[C@H]1c1cn(C)cn1 ZINC001070554033 1219467188 /nfs/dbraw/zinc/46/71/88/1219467188.db2.gz ONEPLHFEKYMCKN-DZGCQCFKSA-N 0 3 366.429 0.550 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCc1nc([C@H]2COCCN2CCOC)n[nH]1 ZINC001070589640 1219479529 /nfs/dbraw/zinc/47/95/29/1219479529.db2.gz IETCAQCQYVMDEA-MCIONIFRSA-N 0 3 365.434 0.032 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCc1n[nH]c([C@H]2COCCN2CCOC)n1 ZINC001070589640 1219479533 /nfs/dbraw/zinc/47/95/33/1219479533.db2.gz IETCAQCQYVMDEA-MCIONIFRSA-N 0 3 365.434 0.032 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCc1nnc([C@H]2COCCN2CCOC)[nH]1 ZINC001070589640 1219479535 /nfs/dbraw/zinc/47/95/35/1219479535.db2.gz IETCAQCQYVMDEA-MCIONIFRSA-N 0 3 365.434 0.032 20 30 FCEDHN C=CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCO[C@H]2C2CC2)n1 ZINC001070587816 1219479795 /nfs/dbraw/zinc/47/97/95/1219479795.db2.gz HCCOHWYKEYTSKP-FMKPAKJESA-N 0 3 361.446 0.795 20 30 FCEDHN C=CCN1CCOC[C@@H]1c1nc(CNC(=O)[C@@H]2CCO[C@H]2C2CC2)n[nH]1 ZINC001070587816 1219479798 /nfs/dbraw/zinc/47/97/98/1219479798.db2.gz HCCOHWYKEYTSKP-FMKPAKJESA-N 0 3 361.446 0.795 20 30 FCEDHN C=CCN1CCOC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCO[C@H]2C2CC2)[nH]1 ZINC001070587816 1219479800 /nfs/dbraw/zinc/47/98/00/1219479800.db2.gz HCCOHWYKEYTSKP-FMKPAKJESA-N 0 3 361.446 0.795 20 30 FCEDHN C=C(C)CN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n1 ZINC001070588353 1219480150 /nfs/dbraw/zinc/48/01/50/1219480150.db2.gz WTWFMDVRBCWMBZ-REISYBLGSA-N 0 3 373.457 0.794 20 30 FCEDHN C=C(C)CN1CCOC[C@H]1c1nc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n[nH]1 ZINC001070588353 1219480152 /nfs/dbraw/zinc/48/01/52/1219480152.db2.gz WTWFMDVRBCWMBZ-REISYBLGSA-N 0 3 373.457 0.794 20 30 FCEDHN C=C(C)CN1CCOC[C@H]1c1nnc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[nH]1 ZINC001070588353 1219480153 /nfs/dbraw/zinc/48/01/53/1219480153.db2.gz WTWFMDVRBCWMBZ-REISYBLGSA-N 0 3 373.457 0.794 20 30 FCEDHN N#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@]23CCC[C@H]2OCC3)n1 ZINC001070588483 1219480215 /nfs/dbraw/zinc/48/02/15/1219480215.db2.gz ZURLPGQWVPFROT-XNJGSVPQSA-N 0 3 360.418 0.277 20 30 FCEDHN N#CCN1CCOC[C@@H]1c1nc(CNC(=O)[C@]23CCC[C@H]2OCC3)n[nH]1 ZINC001070588483 1219480216 /nfs/dbraw/zinc/48/02/16/1219480216.db2.gz ZURLPGQWVPFROT-XNJGSVPQSA-N 0 3 360.418 0.277 20 30 FCEDHN N#CCN1CCOC[C@@H]1c1nnc(CNC(=O)[C@]23CCC[C@H]2OCC3)[nH]1 ZINC001070588483 1219480219 /nfs/dbraw/zinc/48/02/19/1219480219.db2.gz ZURLPGQWVPFROT-XNJGSVPQSA-N 0 3 360.418 0.277 20 30 FCEDHN Cn1cncc1[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NCc1ccnn1C ZINC001070646756 1219505680 /nfs/dbraw/zinc/50/56/80/1219505680.db2.gz SPDTVEWRKMHHOM-IAGOWNOFSA-N 0 3 352.442 0.651 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cn(CCOC)nc2C)C[C@H]1c1cncn1C ZINC001070647888 1219506464 /nfs/dbraw/zinc/50/64/64/1219506464.db2.gz IPPGAZNGSCPGKW-IAGOWNOFSA-N 0 3 370.457 0.402 20 30 FCEDHN C#CC[NH2+][C@@H]1CN(C(=O)c2[n-]ncc2C(F)(F)F)C[C@H]1c1cncn1C ZINC001070654280 1219509473 /nfs/dbraw/zinc/50/94/73/1219509473.db2.gz GPOMTTNZOSJPSW-ZYHUDNBSSA-N 0 3 366.347 0.993 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCc3ncncc3C2)C[C@H]1c1cncn1C ZINC001070654559 1219509748 /nfs/dbraw/zinc/50/97/48/1219509748.db2.gz XCLYCTDPZZWTOL-QGPMSJSTSA-N 0 3 364.453 0.532 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)C2CCC(C(N)=O)CC2)C[C@H]1c1cncn1C ZINC001070663159 1219514126 /nfs/dbraw/zinc/51/41/26/1219514126.db2.gz PXTKJGWSFXCKJP-QDIHITRGSA-N 0 3 357.458 0.229 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cc(CC)nnc2C)C[C@H]1c1cncn1C ZINC001070671478 1219518198 /nfs/dbraw/zinc/51/81/98/1219518198.db2.gz QYYYUUFLWHFOOX-IAGOWNOFSA-N 0 3 352.442 0.912 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cnc3n2CCCC3)C[C@H]1c1cncn1C ZINC001070680924 1219522109 /nfs/dbraw/zinc/52/21/09/1219522109.db2.gz LEWPODPVNCLNLG-HUUCEWRRSA-N 0 3 352.442 0.784 20 30 FCEDHN C=C(C)C[NH2+][C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1c1cncn1C ZINC001070680986 1219522295 /nfs/dbraw/zinc/52/22/95/1219522295.db2.gz OCGGWVWMIDUJDU-ZIAGYGMSSA-N 0 3 356.430 0.998 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)C(C)(C)N2CCOCC2)C[C@H]1c1cncn1C ZINC001070703973 1219532677 /nfs/dbraw/zinc/53/26/77/1219532677.db2.gz XPSMOBUIWVPRLG-HZPDHXFCSA-N 0 3 359.474 0.048 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2nn(C)cc21 ZINC001228196934 1225899195 /nfs/dbraw/zinc/89/91/95/1225899195.db2.gz ATQCUGGLDRGFGH-ZTFGCOKTSA-N 0 3 371.485 0.606 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cnn3c2CCCC3)C[C@H]1c1cncn1C ZINC001070708559 1219536282 /nfs/dbraw/zinc/53/62/82/1219536282.db2.gz UXBOIRFDTDXFJY-HZPDHXFCSA-N 0 3 352.442 0.784 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCN(C(=O)CC)C2)C[C@H]1c1cncn1C ZINC001070708519 1219536692 /nfs/dbraw/zinc/53/66/92/1219536692.db2.gz SSQNCTNCVRNUTE-BZUAXINKSA-N 0 3 357.458 0.196 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)CN2CCCCCC2=O)C[C@H]1c1cncn1C ZINC001070717046 1219539597 /nfs/dbraw/zinc/53/95/97/1219539597.db2.gz OYIMVYUVBVQBKQ-HZPDHXFCSA-N 0 3 357.458 0.340 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)Cc2csc3nccn23)C[C@H]1c1cncn1C ZINC001070718306 1219541064 /nfs/dbraw/zinc/54/10/64/1219541064.db2.gz XVIUUPHBSBDKRE-HUUCEWRRSA-N 0 3 368.466 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ZINC001215347125 1223993918 /nfs/dbraw/zinc/99/39/18/1223993918.db2.gz NTTVCGVIKFBLOM-HZPDHXFCSA-N 0 3 359.474 0.979 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C2(c3cccnc3)CC2)C[C@H]1C ZINC001215383243 1223994733 /nfs/dbraw/zinc/99/47/33/1223994733.db2.gz IKHASGNAISQXIF-HLLBOEOZSA-N 0 3 354.454 0.688 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1C ZINC001215385730 1223995500 /nfs/dbraw/zinc/99/55/00/1223995500.db2.gz WZVOLSDSCZPAHC-YRGRVCCFSA-N 0 3 363.418 0.054 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2ccc(OC)cn2)C[C@H]1C ZINC001215395454 1223996384 /nfs/dbraw/zinc/99/63/84/1223996384.db2.gz OIASBXLZBCHTPK-CKEIUWERSA-N 0 3 358.442 0.207 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCCc3nn(C)cc32)C[C@H]1C ZINC001215402107 1223997081 /nfs/dbraw/zinc/99/70/81/1223997081.db2.gz ZTEQNMOLQKBLQC-CKEIUWERSA-N 0 3 357.458 0.026 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(-c3ccncc3)on2)C[C@H]1C ZINC001215419737 1223998263 /nfs/dbraw/zinc/99/82/63/1223998263.db2.gz ZTDRBIHVQYEDIQ-CZUORRHYSA-N 0 3 367.409 0.536 20 30 FCEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C ZINC001215431644 1223999097 /nfs/dbraw/zinc/99/90/97/1223999097.db2.gz IPEOSOAXAIQEJB-RBSFLKMASA-N 0 3 364.490 0.502 20 30 FCEDHN C[C@@H]1CN(C(=O)c2cc(C(C)(C)C)nn2C)C[C@H]1NCC(=O)NCC#N ZINC001215456083 1224000685 /nfs/dbraw/zinc/00/06/85/1224000685.db2.gz MPUAQPUCPNEHAA-CHWSQXEVSA-N 0 3 360.462 0.407 20 30 FCEDHN C[C@@H]1CN(C(=O)c2cccc(-c3ncon3)c2)C[C@H]1NCC(=O)NCC#N ZINC001215523279 1224003909 /nfs/dbraw/zinc/00/39/09/1224003909.db2.gz FCENMXBGYPJQSK-IUODEOHRSA-N 0 3 368.397 0.426 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2[nH]nc(C)c2C(F)(F)F)C[C@H]1C ZINC001215532009 1224004651 /nfs/dbraw/zinc/00/46/51/1224004651.db2.gz GNYJRUQWPPGLJO-MWLCHTKSSA-N 0 3 371.363 0.536 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cn(C)nc2C(F)(F)F)C[C@H]1C ZINC001215689388 1224012646 /nfs/dbraw/zinc/01/26/46/1224012646.db2.gz UHVINTYUGYIRQP-ZYHUDNBSSA-N 0 3 371.363 0.238 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCc2cn(C)nc2C)C[C@H]1C ZINC001215764711 1224016145 /nfs/dbraw/zinc/01/61/45/1224016145.db2.gz YNPZNBMGHCQHBI-UKPHBRMFSA-N 0 3 361.490 0.788 20 30 FCEDHN C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCCCC)C1 ZINC001215803271 1224018595 /nfs/dbraw/zinc/01/85/95/1224018595.db2.gz XAPUWSIKPZKPNS-HYVNUMGLSA-N 0 3 366.506 0.810 20 30 FCEDHN C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)N(CC)CC)C2)nn1 ZINC001215832441 1224019845 /nfs/dbraw/zinc/01/98/45/1224019845.db2.gz JUCLOTVQMVVPOM-RBSFLKMASA-N 0 3 362.478 0.771 20 30 FCEDHN C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)NCC=C)C2)nn1 ZINC001215861719 1224021119 /nfs/dbraw/zinc/02/11/19/1224021119.db2.gz LYCPEECTBCZKED-RBSFLKMASA-N 0 3 360.462 0.595 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCCOCC)C1 ZINC001215868586 1224021743 /nfs/dbraw/zinc/02/17/43/1224021743.db2.gz KUCKSRGZEUYUQP-HPFXQQBRSA-N 0 3 367.490 0.557 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(CCCCC)n[nH]2)C[C@H]1C ZINC001215887309 1224022164 /nfs/dbraw/zinc/02/21/64/1224022164.db2.gz CUFIYSDMQRMPQG-RHSMWYFYSA-N 0 3 359.474 0.942 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C2(NC(C)=O)CCCC2)C[C@H]1C ZINC001215891688 1224022854 /nfs/dbraw/zinc/02/28/54/1224022854.db2.gz ILRKYMXNISINMX-IJEWVQPXSA-N 0 3 364.490 0.563 20 30 FCEDHN Cc1noc(Cl)c1CC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1 ZINC001215903806 1224022992 /nfs/dbraw/zinc/02/29/92/1224022992.db2.gz DMYFJCYNLWWGJP-BXKDBHETSA-N 0 3 353.810 0.255 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)C(C)(C)NC(C)=O)C[C@H]1C ZINC001215953340 1224027305 /nfs/dbraw/zinc/02/73/05/1224027305.db2.gz ZETQDZSXYDBKHL-UKRRQHHQSA-N 0 3 365.478 0.100 20 30 FCEDHN C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1NCC#Cc1ccccc1 ZINC001215964983 1224028007 /nfs/dbraw/zinc/02/80/07/1224028007.db2.gz OMBHYJXSBUVRNA-GDBMZVCRSA-N 0 3 354.410 0.026 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2coc(CC3CC3)n2)C[C@H]1C ZINC001216133340 1224036151 /nfs/dbraw/zinc/03/61/51/1224036151.db2.gz ZDIUEXCZIOPJSG-VNHYZAJKSA-N 0 3 358.442 0.815 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccncc2C(F)(F)F)C[C@H]1C ZINC001216182434 1224038046 /nfs/dbraw/zinc/03/80/46/1224038046.db2.gz VRBUQTLAGITAMH-BXUZGUMPSA-N 0 3 368.359 0.900 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cncc(C(F)(F)F)c2)C[C@H]1C ZINC001216193622 1224038563 /nfs/dbraw/zinc/03/85/63/1224038563.db2.gz HBYQRAKRCVSWKN-BXUZGUMPSA-N 0 3 368.359 0.900 20 30 FCEDHN C[C@@H]1CN(C(=O)c2c3ccccc3nn2C)C[C@H]1NCC(=O)NCC#N ZINC001216200755 1224038789 /nfs/dbraw/zinc/03/87/89/1224038789.db2.gz IWSQABKDKIQFMJ-IUODEOHRSA-N 0 3 354.414 0.263 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnn(CC3CC3)c2)C[C@H]1C ZINC001216249364 1224040200 /nfs/dbraw/zinc/04/02/00/1224040200.db2.gz YMDATFLGAUSRLG-JKIFEVAISA-N 0 3 357.458 0.481 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cnn(CCCC)c2C)C[C@H]1C ZINC001216303562 1224042683 /nfs/dbraw/zinc/04/26/83/1224042683.db2.gz MWHIDWLJBUYDSR-RHSMWYFYSA-N 0 3 359.474 0.791 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cn(CCCC)nc2C)C[C@H]1C ZINC001216307008 1224043259 /nfs/dbraw/zinc/04/32/59/1224043259.db2.gz XKRSGGKUWSIVSK-RHSMWYFYSA-N 0 3 359.474 0.791 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2c3c(nn2C)CCC3)C[C@H]1C ZINC001216370326 1224047004 /nfs/dbraw/zinc/04/70/04/1224047004.db2.gz PVTVLSKWAYWAKG-XJKCOSOUSA-N 0 3 357.458 0.097 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ncoc2-c2ccon2)C[C@H]1C ZINC001216409578 1224049309 /nfs/dbraw/zinc/04/93/09/1224049309.db2.gz KBJIVWCBLBZWTH-DGCLKSJQSA-N 0 3 359.386 0.682 20 30 FCEDHN CC(=O)Nc1cccc(CC(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)c1 ZINC001216490897 1224053092 /nfs/dbraw/zinc/05/30/92/1224053092.db2.gz VCCWAEOKZLJEAI-CXAGYDPISA-N 0 3 371.441 0.264 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCCc2ccccn2)C[C@H]1C ZINC001216515943 1224054151 /nfs/dbraw/zinc/05/41/51/1224054151.db2.gz VPBORGRBGBISEE-JFIYKMOQSA-N 0 3 356.470 0.979 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cccc(N(C)C)c2)C[C@H]1C ZINC001216547412 1224055162 /nfs/dbraw/zinc/05/51/62/1224055162.db2.gz AMCGSUHNPHXMBX-IIDMSEBBSA-N 0 3 356.470 0.941 20 30 FCEDHN COc1ccc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)c(OC)c1 ZINC001216547735 1224055416 /nfs/dbraw/zinc/05/54/16/1224055416.db2.gz KAZZUPIDGRWNRV-IUODEOHRSA-N 0 3 360.414 0.394 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ccc3nnn(C)c3c2)C[C@H]1C ZINC001216584835 1224056853 /nfs/dbraw/zinc/05/68/53/1224056853.db2.gz MBNYBFNVHDAMLI-XJKCOSOUSA-N 0 3 368.441 0.156 20 30 FCEDHN C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)CCCN(C)C(C)=O)C[C@H]2C)C1=O ZINC001216589186 1224057291 /nfs/dbraw/zinc/05/72/91/1224057291.db2.gz SSPFRYRFQZTCQO-DJIMGWMZSA-N 0 3 364.490 0.468 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc3c(cn2)OCCC3)C[C@H]1C ZINC001216593155 1224057811 /nfs/dbraw/zinc/05/78/11/1224057811.db2.gz KCKSDCJPBOWYNC-CZUORRHYSA-N 0 3 356.426 0.206 20 30 FCEDHN C[C@@H]1CN(C(=O)Cc2ccc3c[nH]nc3c2)C[C@H]1NCC(=O)NCC#N ZINC001216618673 1224059070 /nfs/dbraw/zinc/05/90/70/1224059070.db2.gz ZFJTWMXSKZXORZ-MLGOLLRUSA-N 0 3 354.414 0.182 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cncnc2C2CC2)C[C@H]1C ZINC001216630443 1224059251 /nfs/dbraw/zinc/05/92/51/1224059251.db2.gz GETABTMPVAPFKF-XJKCOSOUSA-N 0 3 355.442 0.542 20 30 FCEDHN CCc1ccccc1OCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1 ZINC001216659700 1224060370 /nfs/dbraw/zinc/06/03/70/1224060370.db2.gz LPBJJKVFFQEUMZ-GDBMZVCRSA-N 0 3 358.442 0.704 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)Oc2cccc(C)c2)C[C@H]1C ZINC001216702359 1224061859 /nfs/dbraw/zinc/06/18/59/1224061859.db2.gz ORZIAPPQIFVWPG-JFIYKMOQSA-N 0 3 357.454 0.948 20 30 FCEDHN Cc1ccc(O[C@@H](C)C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)cc1 ZINC001216704473 1224062472 /nfs/dbraw/zinc/06/24/72/1224062472.db2.gz UWVDDGOKLZOPPV-HLLBOEOZSA-N 0 3 358.442 0.839 20 30 FCEDHN COc1ccc(OCC(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)cc1 ZINC001216738379 1224066302 /nfs/dbraw/zinc/06/63/02/1224066302.db2.gz CIMNCXOZDXODTH-CZUORRHYSA-N 0 3 360.414 0.150 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnc3n[nH]c(C)c3c2)C[C@H]1C ZINC001216754128 1224068646 /nfs/dbraw/zinc/06/86/46/1224068646.db2.gz IPVSVLHPKKHIPB-AXAPSJFSSA-N 0 3 368.441 0.454 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(-c3ccc(C)o3)n[nH]2)C[C@H]1C ZINC001216756015 1224069017 /nfs/dbraw/zinc/06/90/17/1224069017.db2.gz OKYBVGSSDPKMRC-MLGOLLRUSA-N 0 3 369.425 0.778 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cncnc2C(C)C)C[C@H]1C ZINC001216764988 1224069937 /nfs/dbraw/zinc/06/99/37/1224069937.db2.gz SEWAGOYLAVZURW-IJEWVQPXSA-N 0 3 357.458 0.788 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccnc(-n3ccnc3)c2)C[C@H]1C ZINC001216768274 1224070381 /nfs/dbraw/zinc/07/03/81/1224070381.db2.gz OFXLWUOQWQWPSP-GDBMZVCRSA-N 0 3 366.425 0.067 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cccc(C(=O)NC)c2)C[C@H]1C ZINC001216796561 1224073032 /nfs/dbraw/zinc/07/30/32/1224073032.db2.gz BMSDDJANCMPZEP-CKEIUWERSA-N 0 3 370.453 0.234 20 30 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FCEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(CCC(N)=O)cc2)CC1 ZINC001318918540 1263627251 /nfs/dbraw/zinc/62/72/51/1263627251.db2.gz CTWIKSDTSHRXCP-UHFFFAOYSA-N 0 3 358.442 0.810 20 30 FCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C(C)(C)C)CC3)CC2)o1 ZINC001319513171 1263702428 /nfs/dbraw/zinc/70/24/28/1263702428.db2.gz ONQWQRSTDCRBDU-UHFFFAOYSA-N 0 3 374.489 0.919 20 30 FCEDHN N#CCOc1cccc(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC001322808686 1264271702 /nfs/dbraw/zinc/27/17/02/1264271702.db2.gz IWVFVAMOKWYOOX-DOTOQJQBSA-N 0 3 372.425 0.185 20 30 FCEDHN C#CCOc1ccccc1CNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC001323751658 1264503068 /nfs/dbraw/zinc/50/30/68/1264503068.db2.gz LMLZRMNJRXLJCE-SJORKVTESA-N 0 3 371.437 0.294 20 30 FCEDHN C[C@@H](NC(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1)C1=CCN(C)CC1 ZINC001323781522 1264513221 /nfs/dbraw/zinc/51/32/21/1264513221.db2.gz PRNADFFIZVXFKQ-CQSZACIVSA-N 0 3 368.437 0.914 20 30 FCEDHN C=C[C@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001325100229 1264775233 /nfs/dbraw/zinc/77/52/33/1264775233.db2.gz QVLIVSYRERRHPC-HOTGVXAUSA-N 0 3 362.474 0.319 20 30 FCEDHN N#Cc1ccc(N2C[C@@H](C(=O)N[C@H]3CCCN(CCCO)C3)CC2=O)cc1 ZINC001325232530 1264819913 /nfs/dbraw/zinc/81/99/13/1264819913.db2.gz RPDVNHNTRWFULE-IRXDYDNUSA-N 0 3 370.453 0.874 20 30 FCEDHN CN(CCNC(=O)C(=O)N1CCCN(c2ccccc2C#N)CC1)C1CC1 ZINC001325821436 1265003795 /nfs/dbraw/zinc/00/37/95/1265003795.db2.gz GJIWFADDTXEHOK-UHFFFAOYSA-N 0 3 369.469 0.807 20 30 FCEDHN C=CCOCc1[nH]c(=O)n(-c2ccc(Cc3[nH]c(O)nc3O)cc2)c1O ZINC001326167919 1265073502 /nfs/dbraw/zinc/07/35/02/1265073502.db2.gz IBYCIJHTGPSVEH-QWHCGFSZSA-N 0 3 358.354 0.065 20 30 FCEDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 ZINC001326248024 1265084478 /nfs/dbraw/zinc/08/44/78/1265084478.db2.gz FSZPBZQAOAWFKP-PXNSSMCTSA-N 0 3 370.453 0.596 20 30 FCEDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 ZINC001326248023 1265084545 /nfs/dbraw/zinc/08/45/45/1265084545.db2.gz FSZPBZQAOAWFKP-FXAWDEMLSA-N 0 3 370.453 0.596 20 30 FCEDHN Cn1c(-c2cncc(C#N)c2)nnc1N1CCC(N2CCN(C)CC2)CC1 ZINC001338471975 1267951730 /nfs/dbraw/zinc/95/17/30/1267951730.db2.gz VJTVAHKYQTZPPI-UHFFFAOYSA-N 0 3 366.473 0.965 20 30 FCEDHN C=CCn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1C1(O)CCC1 ZINC001338645147 1268020348 /nfs/dbraw/zinc/02/03/48/1268020348.db2.gz BLCNTIUOWDXXOB-UHFFFAOYSA-N 0 3 374.489 0.580 20 30 FCEDHN C=CCn1c(Cc2nnc(C)[nH]2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001339022339 1268152536 /nfs/dbraw/zinc/15/25/36/1268152536.db2.gz OATXDAZYKWEAPE-OAHLLOKOSA-N 0 3 372.477 0.640 20 30 FCEDHN C=CCn1c(CCn2ccnc2C)nnc1N1CCN(CCOC)CC1 ZINC001339869668 1268354109 /nfs/dbraw/zinc/35/41/09/1268354109.db2.gz VXHOOAJUOISDIQ-UHFFFAOYSA-N 0 3 359.478 0.980 20 30 FCEDHN C=CCn1c(-c2ccc(=O)[nH]n2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001340372754 1268525411 /nfs/dbraw/zinc/52/54/11/1268525411.db2.gz NFSMTKUDBCZRFI-AWEZNQCLSA-N 0 3 371.445 0.785 20 30 FCEDHN C=CCn1c(Cn2cc(CCO)nn2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001340783639 1268654909 /nfs/dbraw/zinc/65/49/09/1268654909.db2.gz RTDBCWSINJKLQJ-HUUCEWRRSA-N 0 3 374.493 0.558 20 30 FCEDHN C=C[C@@H](COC)NC(=O)C(=O)NCc1cccc(CN2CCN(C)CC2)c1 ZINC001341719772 1269169404 /nfs/dbraw/zinc/16/94/04/1269169404.db2.gz PHZURPYXRCBLKB-SFHVURJKSA-N 0 3 374.485 0.367 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H](C)CCC(=O)OC(C)C)CC1 ZINC001341897897 1269257913 /nfs/dbraw/zinc/25/79/13/1269257913.db2.gz IXUYMUDWOKWIIU-AWEZNQCLSA-N 0 3 353.463 0.990 20 30 FCEDHN C=C(C)Cn1c(CCO)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001342662895 1269555397 /nfs/dbraw/zinc/55/53/97/1269555397.db2.gz SOOXAXWIYNETAM-OAHLLOKOSA-N 0 3 362.478 0.132 20 30 FCEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CCCN1C(=O)CNC1=O ZINC001343291932 1269848171 /nfs/dbraw/zinc/84/81/71/1269848171.db2.gz PMPPKXNSEFMIRZ-LLVKDONJSA-N 0 3 358.354 0.675 20 30 FCEDHN CC#CC[C@H](N)C(=O)N1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC001574961942 1271686521 /nfs/dbraw/zinc/68/65/21/1271686521.db2.gz BQLMUKDNKIHASH-HOTGVXAUSA-N 0 3 350.440 0.731 20 30 FCEDHN C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)c1ccc(-c2cn[nH]n2)cc1 ZINC001575005010 1271691687 /nfs/dbraw/zinc/69/16/87/1271691687.db2.gz RVAUOOZJHQZTTN-CQSZACIVSA-N 0 3 368.441 0.661 20 30 FCEDHN C=C(C)CN1CCN(CCNC(=O)[C@@H]2CCCN2Cc2cn[nH]n2)CC1 ZINC001575049188 1271700794 /nfs/dbraw/zinc/70/07/94/1271700794.db2.gz XVVOMMYWJVDRHX-KRWDZBQOSA-N 0 3 361.494 0.079 20 30 FCEDHN C=C1CCC(C(=O)NC[C@@H]2CCN([C@@H](C)C(=O)NCc3c[nH]nn3)C2)CC1 ZINC001575061045 1271703652 /nfs/dbraw/zinc/70/36/52/1271703652.db2.gz AKEDJWBSHYVINO-GJZGRUSLSA-N 0 3 374.489 0.994 20 30 FCEDHN C=C[C@@](C)(CCOC)C(=O)N1CCCO[C@H](CNCc2c[nH]nn2)C1 ZINC001575072620 1271707708 /nfs/dbraw/zinc/70/77/08/1271707708.db2.gz KQOGWZSIGFTCEL-WBVHZDCISA-N 0 3 351.451 0.741 20 30 FCEDHN C=CCCn1cc(C(=O)N[C@H]2CC[C@@H](C)N(CCc3c[nH]nn3)C2)nn1 ZINC001575099948 1271718166 /nfs/dbraw/zinc/71/81/66/1271718166.db2.gz GYBXXKGNCSYCIS-HIFRSBDPSA-N 0 3 358.450 0.798 20 30 FCEDHN CC#CCN1CC[C@@H](N(CC)C(=O)C2CCN(Cc3cn[nH]n3)CC2)C1 ZINC001575122014 1271732050 /nfs/dbraw/zinc/73/20/50/1271732050.db2.gz BOWDETPJIFZLML-GOSISDBHSA-N 0 3 358.490 0.963 20 30 FCEDHN CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)c1ccc(-c2cn[nH]n2)cc1 ZINC001576518136 1273402557 /nfs/dbraw/zinc/40/25/57/1273402557.db2.gz YZXZLTLINMJGDE-CYBMUJFWSA-N 0 3 369.429 0.552 20 30 FCEDHN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ncccc1CN ZINC001576816843 1273735333 /nfs/dbraw/zinc/73/53/33/1273735333.db2.gz XAMOQEJMFAGBNR-GFCCVEGCSA-N 0 3 352.402 0.945 20 30 FCEDHN COCCC1(NC(=O)CSCC#N)CCN(CCc2cn[nH]n2)CC1 ZINC001576987585 1274016489 /nfs/dbraw/zinc/01/64/89/1274016489.db2.gz JZLZCXRAOHWGNE-UHFFFAOYSA-N 0 3 366.491 0.591 20 30 FCEDHN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2OCC[C@H]2N)cc1 ZINC001578529233 1275959338 /nfs/dbraw/zinc/95/93/38/1275959338.db2.gz RJIPIROTFBTUNS-XQRULEISSA-N 0 3 366.443 0.554 20 30 FCEDHN CN1CCC([N@@H+]2CC[C@@H](Nc3cnc(C#N)c(-c4nnn[n-]4)n3)C2)CC1 ZINC001579348703 1277203871 /nfs/dbraw/zinc/20/38/71/1277203871.db2.gz GDNWKGABQSYUEV-LLVKDONJSA-N 0 3 354.422 0.109 20 30 FCEDHN CN1CCC([N@H+]2CC[C@@H](Nc3cnc(C#N)c(-c4nnn[n-]4)n3)C2)CC1 ZINC001579348703 1277203873 /nfs/dbraw/zinc/20/38/73/1277203873.db2.gz GDNWKGABQSYUEV-LLVKDONJSA-N 0 3 354.422 0.109 20 30 FCEDHN CN1CCC([N@@H+]2CC[C@@H](Nc3cnc(C#N)c(-c4nn[n-]n4)n3)C2)CC1 ZINC001579348703 1277203875 /nfs/dbraw/zinc/20/38/75/1277203875.db2.gz GDNWKGABQSYUEV-LLVKDONJSA-N 0 3 354.422 0.109 20 30 FCEDHN CN1CCC([N@H+]2CC[C@@H](Nc3cnc(C#N)c(-c4nn[n-]n4)n3)C2)CC1 ZINC001579348703 1277203876 /nfs/dbraw/zinc/20/38/76/1277203876.db2.gz GDNWKGABQSYUEV-LLVKDONJSA-N 0 3 354.422 0.109 20 30 FCEDHN COCC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001579618444 1277664312 /nfs/dbraw/zinc/66/43/12/1277664312.db2.gz KLLMIGYCZCSVHV-OCCSQVGLSA-N 0 3 357.418 0.333 20 30 FCEDHN COCC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579618444 1277664317 /nfs/dbraw/zinc/66/43/17/1277664317.db2.gz KLLMIGYCZCSVHV-OCCSQVGLSA-N 0 3 357.418 0.333 20 30 FCEDHN N#CCNC(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001714135534 1287314327 /nfs/dbraw/zinc/31/43/27/1287314327.db2.gz QXDQLEYDGLWZEM-IXDOHACOSA-N 0 3 355.442 0.796 20 30 FCEDHN N#CCCC[C@H](N)C(=O)N1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC001580047797 1277999261 /nfs/dbraw/zinc/99/92/61/1277999261.db2.gz OXYQXVVEHDJZHA-ZNMIVQPWSA-N 0 3 352.435 0.904 20 30 FCEDHN C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001580276459 1278070183 /nfs/dbraw/zinc/07/01/83/1278070183.db2.gz GVNSFNGOEVRDNK-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN N#CC1(C[C@H](O)C[N@@H+]2CC[C@@H](Oc3ccc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001581856948 1280607633 /nfs/dbraw/zinc/60/76/33/1280607633.db2.gz KLAUHHLAFVNFTG-UONOGXRCSA-N 0 3 355.402 0.770 20 30 FCEDHN N#CC1(C[C@H](O)C[N@H+]2CC[C@@H](Oc3ccc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001581856948 1280607645 /nfs/dbraw/zinc/60/76/45/1280607645.db2.gz KLAUHHLAFVNFTG-UONOGXRCSA-N 0 3 355.402 0.770 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588351283 1282447662 /nfs/dbraw/zinc/44/76/62/1282447662.db2.gz MSZZQNKGDJOUCP-BBRMVZONSA-N 0 3 368.445 0.006 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001588354820 1282449578 /nfs/dbraw/zinc/44/95/78/1282449578.db2.gz ABTRCMDLROJZMS-SUMWQHHRSA-N 0 3 368.441 0.889 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001588354820 1282449583 /nfs/dbraw/zinc/44/95/83/1282449583.db2.gz ABTRCMDLROJZMS-SUMWQHHRSA-N 0 3 368.441 0.889 20 30 FCEDHN C#CCO[C@H](C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001588355114 1282450933 /nfs/dbraw/zinc/45/09/33/1282450933.db2.gz DCARDTTZRVECTD-CHWSQXEVSA-N 0 3 374.420 0.981 20 30 FCEDHN C#CCO[C@H](C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001588355114 1282450937 /nfs/dbraw/zinc/45/09/37/1282450937.db2.gz DCARDTTZRVECTD-CHWSQXEVSA-N 0 3 374.420 0.981 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588355015 1282451772 /nfs/dbraw/zinc/45/17/72/1282451772.db2.gz DFOVLQLWSIIDJS-CHWSQXEVSA-N 0 3 374.420 0.886 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588355015 1282451775 /nfs/dbraw/zinc/45/17/75/1282451775.db2.gz DFOVLQLWSIIDJS-CHWSQXEVSA-N 0 3 374.420 0.886 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588355536 1282455896 /nfs/dbraw/zinc/45/58/96/1282455896.db2.gz JJIGWHSCKZODAW-GDBMZVCRSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001588355536 1282455899 /nfs/dbraw/zinc/45/58/99/1282455899.db2.gz JJIGWHSCKZODAW-GDBMZVCRSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001588356337 1282459906 /nfs/dbraw/zinc/45/99/06/1282459906.db2.gz WEHJPARVVVOUBK-STQMWFEESA-N 0 3 374.420 0.886 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001588356337 1282459912 /nfs/dbraw/zinc/45/99/12/1282459912.db2.gz WEHJPARVVVOUBK-STQMWFEESA-N 0 3 374.420 0.886 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NCCC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588356810 1282460841 /nfs/dbraw/zinc/46/08/41/1282460841.db2.gz GIRJFNZPBVMLTN-LBPRGKRZSA-N 0 3 360.393 0.640 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NCCC[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588356810 1282460845 /nfs/dbraw/zinc/46/08/45/1282460845.db2.gz GIRJFNZPBVMLTN-LBPRGKRZSA-N 0 3 360.393 0.640 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@@H](C)NCc1cc(-c2nn[nH]n2)ccc1OC ZINC001588356474 1282461696 /nfs/dbraw/zinc/46/16/96/1282461696.db2.gz XSIDBYDMEAPGMA-CHWSQXEVSA-N 0 3 372.429 0.508 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588358008 1282467544 /nfs/dbraw/zinc/46/75/44/1282467544.db2.gz RWGPZEXVROEXRQ-KBPBESRZSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588358008 1282467545 /nfs/dbraw/zinc/46/75/45/1282467545.db2.gz RWGPZEXVROEXRQ-KBPBESRZSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001588359145 1282472979 /nfs/dbraw/zinc/47/29/79/1282472979.db2.gz YUZNZMWXUBUMRL-OCCSQVGLSA-N 0 3 372.404 0.735 20 30 FCEDHN C#CCOCCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001588359064 1282473272 /nfs/dbraw/zinc/47/32/72/1282473272.db2.gz GNXSTVYMRWOTHE-KGLIPLIRSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCOCCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001588359064 1282473276 /nfs/dbraw/zinc/47/32/76/1282473276.db2.gz GNXSTVYMRWOTHE-KGLIPLIRSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCOCCC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588359405 1282474090 /nfs/dbraw/zinc/47/40/90/1282474090.db2.gz NPFNVMWHPDKCCY-INIZCTEOSA-N 0 3 354.414 0.597 20 30 FCEDHN C#CCOCCC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001588359405 1282474093 /nfs/dbraw/zinc/47/40/93/1282474093.db2.gz NPFNVMWHPDKCCY-INIZCTEOSA-N 0 3 354.414 0.597 20 30 FCEDHN C#CCOCCC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588360830 1282480545 /nfs/dbraw/zinc/48/05/45/1282480545.db2.gz WPISCDQEWGAMAU-AWEZNQCLSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCOCCC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001588360830 1282480549 /nfs/dbraw/zinc/48/05/49/1282480549.db2.gz WPISCDQEWGAMAU-AWEZNQCLSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2-c2nnn[n-]2)C[C@H]1C ZINC001588362670 1282487047 /nfs/dbraw/zinc/48/70/47/1282487047.db2.gz PGEGVKLDTMVMCS-RHSMWYFYSA-N 0 3 368.441 0.843 20 30 FCEDHN C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2-c2nnn[n-]2)C[C@H]1C ZINC001588362670 1282487051 /nfs/dbraw/zinc/48/70/51/1282487051.db2.gz PGEGVKLDTMVMCS-RHSMWYFYSA-N 0 3 368.441 0.843 20 30 FCEDHN C=CC[C@@]1(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)CCC[NH2+]1 ZINC001588552075 1282565877 /nfs/dbraw/zinc/56/58/77/1282565877.db2.gz MXGPRWKPASAHAH-SFHVURJKSA-N 0 3 368.445 0.609 20 30 FCEDHN C=CCC[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001588578100 1282574284 /nfs/dbraw/zinc/57/42/84/1282574284.db2.gz WERCUYLGGUGVOW-GXTWGEPZSA-N 0 3 361.450 0.914 20 30 FCEDHN C=CCC[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001588578100 1282574295 /nfs/dbraw/zinc/57/42/95/1282574295.db2.gz WERCUYLGGUGVOW-GXTWGEPZSA-N 0 3 361.450 0.914 20 30 FCEDHN C=CCC[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001588578100 1282574304 /nfs/dbraw/zinc/57/43/04/1282574304.db2.gz WERCUYLGGUGVOW-GXTWGEPZSA-N 0 3 361.450 0.914 20 30 FCEDHN C=CCC[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001588578100 1282574311 /nfs/dbraw/zinc/57/43/11/1282574311.db2.gz WERCUYLGGUGVOW-GXTWGEPZSA-N 0 3 361.450 0.914 20 30 FCEDHN C=CCCC[NH2+][C@H](C)[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001588601147 1282581446 /nfs/dbraw/zinc/58/14/46/1282581446.db2.gz WIESLHZDXWMYDN-IUODEOHRSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCCC[NH2+][C@H](C)[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001588601147 1282581454 /nfs/dbraw/zinc/58/14/54/1282581454.db2.gz WIESLHZDXWMYDN-IUODEOHRSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCNC(=O)[C@H](C)[NH2+][C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001588657434 1282609329 /nfs/dbraw/zinc/60/93/29/1282609329.db2.gz MWGHPLMIRRLTTH-FZMZJTMJSA-N 0 3 374.449 0.230 20 30 FCEDHN C=CCN1CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1=O ZINC001588657839 1282609340 /nfs/dbraw/zinc/60/93/40/1282609340.db2.gz YCAQBMKNADKLJT-AAEUAGOBSA-N 0 3 372.433 0.032 20 30 FCEDHN C=CCOCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2 ZINC001588682105 1282640990 /nfs/dbraw/zinc/64/09/90/1282640990.db2.gz BGLVQPVOHDSLQI-CFVMTHIKSA-N 0 3 371.445 0.980 20 30 FCEDHN C=CCOCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001588682105 1282641000 /nfs/dbraw/zinc/64/10/00/1282641000.db2.gz BGLVQPVOHDSLQI-CFVMTHIKSA-N 0 3 371.445 0.980 20 30 FCEDHN C=CCOCC[N@H+]1C[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2C1 ZINC001588682510 1282642622 /nfs/dbraw/zinc/64/26/22/1282642622.db2.gz GRMGYLMKECLVQQ-OKILXGFUSA-N 0 3 357.418 0.401 20 30 FCEDHN C=CCOCC[N@@H+]1C[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2C1 ZINC001588682510 1282642633 /nfs/dbraw/zinc/64/26/33/1282642633.db2.gz GRMGYLMKECLVQQ-OKILXGFUSA-N 0 3 357.418 0.401 20 30 FCEDHN C=CCOCC[N@H+]1C[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2C1 ZINC001588682510 1282642644 /nfs/dbraw/zinc/64/26/44/1282642644.db2.gz GRMGYLMKECLVQQ-OKILXGFUSA-N 0 3 357.418 0.401 20 30 FCEDHN C=CCOCC[N@@H+]1C[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2C1 ZINC001588682510 1282642655 /nfs/dbraw/zinc/64/26/55/1282642655.db2.gz GRMGYLMKECLVQQ-OKILXGFUSA-N 0 3 357.418 0.401 20 30 FCEDHN C=CCOCC[NH+]1CCC(C)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001588682913 1282643759 /nfs/dbraw/zinc/64/37/59/1282643759.db2.gz LLFASJBJBWBPSP-UHFFFAOYSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCOCC[NH+]1CCC(C)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001588682913 1282643775 /nfs/dbraw/zinc/64/37/75/1282643775.db2.gz LLFASJBJBWBPSP-UHFFFAOYSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCOCC[NH2+][C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](C)C1 ZINC001588683306 1282646756 /nfs/dbraw/zinc/64/67/56/1282646756.db2.gz QHHILFMSGYCXGD-OCCSQVGLSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[NH2+][C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](C)C1 ZINC001588683306 1282646765 /nfs/dbraw/zinc/64/67/65/1282646765.db2.gz QHHILFMSGYCXGD-OCCSQVGLSA-N 0 3 359.434 0.980 20 30 FCEDHN CC(C)(C)C#CC(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001589067744 1282791319 /nfs/dbraw/zinc/79/13/19/1282791319.db2.gz FIPBBHRGJGHZRI-HNNXBMFYSA-N 0 3 356.430 0.483 20 30 FCEDHN CC(C)(C)C#CC(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001589067744 1282791327 /nfs/dbraw/zinc/79/13/27/1282791327.db2.gz FIPBBHRGJGHZRI-HNNXBMFYSA-N 0 3 356.430 0.483 20 30 FCEDHN CCOC(=O)[C@@H](C)CNC(=O)C(C#N)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001590749952 1283803547 /nfs/dbraw/zinc/80/35/47/1283803547.db2.gz FCVFMOCVEVTPSS-FZMZJTMJSA-N 0 3 356.386 0.864 20 30 FCEDHN COCC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001591360266 1284496338 /nfs/dbraw/zinc/49/63/38/1284496338.db2.gz BUEDFSSVWQRHEG-KGLIPLIRSA-N 0 3 371.445 0.675 20 30 FCEDHN COCC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001591360265 1284496534 /nfs/dbraw/zinc/49/65/34/1284496534.db2.gz BUEDFSSVWQRHEG-KBPBESRZSA-N 0 3 371.445 0.675 20 30 FCEDHN COCC#CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001591361802 1284497517 /nfs/dbraw/zinc/49/75/17/1284497517.db2.gz NXSFQRIZCSFZJH-CYBMUJFWSA-N 0 3 357.418 0.239 20 30 FCEDHN COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001591361802 1284497520 /nfs/dbraw/zinc/49/75/20/1284497520.db2.gz NXSFQRIZCSFZJH-CYBMUJFWSA-N 0 3 357.418 0.239 20 30 FCEDHN COC(=O)C(C)(C)CNC(=O)C(C#N)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001609292161 1289060448 /nfs/dbraw/zinc/06/04/48/1289060448.db2.gz VDHROTJOGGBKBL-ZDUSSCGKSA-N 0 3 356.386 0.864 20 30 FCEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)N(CC)CC[NH3+] ZINC001602853990 1287138946 /nfs/dbraw/zinc/13/89/46/1287138946.db2.gz PIUKDEIZUYDLMZ-UHFFFAOYSA-N 0 3 357.418 0.189 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)Cn2nnnc2C(C)C)C[C@H]1c1cnn(C)c1 ZINC001691978340 1289354938 /nfs/dbraw/zinc/35/49/38/1289354938.db2.gz BPIKEKHUSVWRTK-JKSUJKDBSA-N 0 3 370.461 0.138 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)CCN2CCCC2=O)C[C@H]1c1cnn(C)c1 ZINC001691981797 1289356928 /nfs/dbraw/zinc/35/69/28/1289356928.db2.gz FVEPGLUSWQXWQI-DLBZAZTESA-N 0 3 357.458 0.340 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1c1ccc(OC)cc1 ZINC001692328639 1289447017 /nfs/dbraw/zinc/44/70/17/1289447017.db2.gz FBUDVNSMLKYOFA-ZWKOTPCHSA-N 0 3 353.426 0.894 20 30 FCEDHN C[C@H](CNCC(=O)NCC#N)NC(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC001699371366 1289550354 /nfs/dbraw/zinc/55/03/54/1289550354.db2.gz IUDSXSVNUILWMN-OIISXLGYSA-N 0 3 358.442 0.511 20 30 FCEDHN C#CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC001699371735 1289551110 /nfs/dbraw/zinc/55/11/10/1289551110.db2.gz WXBXYFMOJSHKFO-NXHRZFHOSA-N 0 3 357.454 0.620 20 30 FCEDHN N#Cc1ccc(CNC[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C2CC2)s1 ZINC001699590898 1289558043 /nfs/dbraw/zinc/55/80/43/1289558043.db2.gz XPCAXDHLKPSPSJ-QLFBSQMISA-N 0 3 362.455 0.637 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CNCc1cc(=O)n2nccc2[nH]1)C1CC1 ZINC001699587611 1289558868 /nfs/dbraw/zinc/55/88/68/1289558868.db2.gz DGGPKOVWCKCAJV-PMPSAXMXSA-N 0 3 371.441 0.598 20 30 FCEDHN C#CCN(C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C1CCN(CCO)CC1 ZINC001699783987 1289565350 /nfs/dbraw/zinc/56/53/50/1289565350.db2.gz QJRLZIMKHJRZQV-KGLIPLIRSA-N 0 3 364.364 0.251 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H](C)CN(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001756498637 1290656583 /nfs/dbraw/zinc/65/65/83/1290656583.db2.gz FYXRUMCKNFRLAE-HPBDAGMYSA-N 0 3 361.486 0.862 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H](C)CN(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001756498636 1290656912 /nfs/dbraw/zinc/65/69/12/1290656912.db2.gz FYXRUMCKNFRLAE-DDBAPUKQSA-N 0 3 361.486 0.862 20 30 FCEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001688957733 1294552224 /nfs/dbraw/zinc/55/22/24/1294552224.db2.gz WPWOGRIHVPJLQE-GVDBMIGSSA-N 0 3 368.437 0.582 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2cnc3n2CCOC3)C[C@H]1c1cnn(C)c1 ZINC001689031624 1294577370 /nfs/dbraw/zinc/57/73/70/1294577370.db2.gz BNOHSKCLOARASU-JKSUJKDBSA-N 0 3 368.441 0.368 20 30 FCEDHN C=CCNC(=O)[C@@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)C1=COCCO1 ZINC001689078763 1294598576 /nfs/dbraw/zinc/59/85/76/1294598576.db2.gz BGZYKAUDQDDQNO-KFWWJZLASA-N 0 3 351.447 0.782 20 30 FCEDHN C[C@@H]1CCN(C(=O)C[C@H]2CCCCO2)[C@H](CNCC(=O)NCC#N)C1 ZINC001689084397 1294602961 /nfs/dbraw/zinc/60/29/61/1294602961.db2.gz APRNWSJTNSTAMU-OWCLPIDISA-N 0 3 350.463 0.802 20 30 FCEDHN C=CCn1cc(C(=O)N2CC[C@@H](C)C[C@H]2CNCC(=O)N2CCC2)nn1 ZINC001689101046 1294617528 /nfs/dbraw/zinc/61/75/28/1294617528.db2.gz AHXSJVSORYMJEV-CABCVRRESA-N 0 3 360.462 0.527 20 30 FCEDHN C=CCCC(=O)N1C[C@H]2CCN(C[C@@H](O)CN3C(=O)CCC3=O)C[C@H]2C1 ZINC001689215399 1294670974 /nfs/dbraw/zinc/67/09/74/1294670974.db2.gz JLEREFXAUJXGIH-OWCLPIDISA-N 0 3 363.458 0.243 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1c1ccc(OC)cc1 ZINC001689385711 1294774581 /nfs/dbraw/zinc/77/45/81/1294774581.db2.gz CZBUOICXTWWZLZ-JKSUJKDBSA-N 0 3 354.414 0.440 20 30 FCEDHN C=CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCCNC1=O ZINC001691820133 1294928833 /nfs/dbraw/zinc/92/88/33/1294928833.db2.gz YLMGMGHETGVCFK-ILXRZTDVSA-N 0 3 350.463 0.032 20 30 FCEDHN C#CCNC(=O)[C@@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)c1cnc(C)n1C ZINC001691837558 1294934553 /nfs/dbraw/zinc/93/45/53/1294934553.db2.gz GZPHEHXLXMIIQA-FMKPAKJESA-N 0 3 359.474 0.697 20 30 FCEDHN C[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)[C@H](CNCC#Cc2ccccc2)C1 ZINC001691837680 1294936266 /nfs/dbraw/zinc/93/62/66/1294936266.db2.gz LRFQIZUTDLVHAP-BPQIPLTHSA-N 0 3 354.454 0.936 20 30 FCEDHN C[C@H](C#N)C(=O)N1C[C@@H](NCCn2cc(Cl)cn2)[C@@H](n2ccnn2)C1 ZINC001070160906 837628655 /nfs/dbraw/zinc/62/86/55/837628655.db2.gz LSLPPNOUEQYLQF-BNOWGMLFSA-N 0 3 362.825 0.329 20 30 FCEDHN C[C@@H](C#N)C(=O)N1C[C@@H](NCCn2cc(Cl)cn2)[C@@H](n2ccnn2)C1 ZINC001070160907 837628910 /nfs/dbraw/zinc/62/89/10/837628910.db2.gz LSLPPNOUEQYLQF-YUTCNCBUSA-N 0 3 362.825 0.329 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)[C@@]2(C)CCCS2(=O)=O)C[C@@H]1n1ccnn1 ZINC001070295020 837644070 /nfs/dbraw/zinc/64/40/70/837644070.db2.gz HJMNMCAHHVOIME-IJEWVQPXSA-N 0 3 367.475 0.163 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1n1ccnn1 ZINC001070307230 837645321 /nfs/dbraw/zinc/64/53/21/837645321.db2.gz ZOLXRIOXHCMTAX-ZNMIVQPWSA-N 0 3 367.475 0.021 20 30 FCEDHN C=C(Cl)CN[C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@H]1c1cn(C)cn1 ZINC001070480627 837654586 /nfs/dbraw/zinc/65/45/86/837654586.db2.gz NMMLHVWWEQGOFJ-GXTWGEPZSA-N 0 3 363.853 0.808 20 30 FCEDHN C=C(Cl)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC001071053112 837720590 /nfs/dbraw/zinc/72/05/90/837720590.db2.gz CRYCHPJZKJAPKE-RDBSUJKOSA-N 0 3 357.838 0.833 20 30 FCEDHN C=C(Cl)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001071082153 837727951 /nfs/dbraw/zinc/72/79/51/837727951.db2.gz LWVWVDVNLHMNFC-MCIONIFRSA-N 0 3 356.854 0.406 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CN(CC)CC)CCO1 ZINC001065177855 836818765 /nfs/dbraw/zinc/81/87/65/836818765.db2.gz KGJGQVIRGXRTIK-OAGGEKHMSA-N 0 3 353.463 0.263 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)c2snnc2C)[C@H](C)C1 ZINC001101709707 844231304 /nfs/dbraw/zinc/23/13/04/844231304.db2.gz KYFPFIVROQCQJA-RAIGVLPGSA-N 0 3 351.476 0.835 20 30 FCEDHN C=CCOCCCC(=O)NC[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001101852640 844294883 /nfs/dbraw/zinc/29/48/83/844294883.db2.gz GBDKOLLPCVRSJR-MGPQQGTHSA-N 0 3 354.451 0.237 20 30 FCEDHN C=CCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)c2cc(OC)no2)[C@H](C)C1 ZINC001101894558 844309103 /nfs/dbraw/zinc/30/91/03/844309103.db2.gz GTXKFBVUIIRZJJ-FRRDWIJNSA-N 0 3 350.419 0.672 20 30 FCEDHN 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0 3 350.463 0.172 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2sc(N(C)C)nc2C)C[C@H]1C ZINC001215808348 855147268 /nfs/dbraw/zinc/14/72/68/855147268.db2.gz RCCNNOBNKMLBMF-DGCLKSJQSA-N 0 3 365.503 0.870 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)C[C@@H](C)COC)C[C@H]1C ZINC001216136219 855173390 /nfs/dbraw/zinc/17/33/90/855173390.db2.gz BAGFWFGBQYTNJC-BZUAXINKSA-N 0 3 352.479 0.858 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CC)C[C@H]1C ZINC001216259717 855184366 /nfs/dbraw/zinc/18/43/66/855184366.db2.gz UTMVNRYATWAVGM-RBSFLKMASA-N 0 3 350.463 0.126 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)Cn2c(C)c(C)sc2=O)C[C@H]1C ZINC001216841221 855255118 /nfs/dbraw/zinc/25/51/18/855255118.db2.gz QIAXCPUYYLUCNR-BXUZGUMPSA-N 0 3 366.487 0.265 20 30 FCEDHN C=CCOCC(=O)N1CCO[C@@H]2CN(C[C@H]3CCNC(=O)CC3)C[C@@H]21 ZINC001217538444 855344506 /nfs/dbraw/zinc/34/45/06/855344506.db2.gz XDQCZNVWLUSFBC-OWCLPIDISA-N 0 3 351.447 0.017 20 30 FCEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)[C@@H](C)NS(=O)(=O)CC)[C@H]2C1 ZINC001217958859 855385459 /nfs/dbraw/zinc/38/54/59/855385459.db2.gz INENKRJGIGHRRS-QLFBSQMISA-N 0 3 359.492 0.192 20 30 FCEDHN COC(=O)c1scc(C#N)c1NC(=O)CN1CCCC[C@H](N)C1=O ZINC001218604740 855447679 /nfs/dbraw/zinc/44/76/79/855447679.db2.gz HGQAJANKWTVSAL-JTQLQIEISA-N 0 3 350.400 0.685 20 30 FCEDHN C=CCCCNC(=S)N1CC[C@]2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001279154318 862698264 /nfs/dbraw/zinc/69/82/64/862698264.db2.gz XYSXCLKDEDRMSH-QGZVFWFLSA-N 0 3 354.520 0.692 20 30 FCEDHN C#CCNC(=O)CC(=O)N[C@@H]1CN(CC[C@H]2CCCC2(F)F)C[C@@H]1O ZINC001219492654 855691972 /nfs/dbraw/zinc/69/19/72/855691972.db2.gz UQMFNDDODMKEGQ-MCIONIFRSA-N 0 3 357.401 0.113 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H](C)NC(=O)CC(F)(F)F)[C@@H](O)C1 ZINC001219682226 855768651 /nfs/dbraw/zinc/76/86/51/855768651.db2.gz FRHXBYYEVUWKGH-TUAOUCFPSA-N 0 3 351.369 0.571 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)[C@H](C)n2nnnc2C(C)(C)C)[C@@H](O)C1 ZINC001219774243 855808951 /nfs/dbraw/zinc/80/89/51/855808951.db2.gz FZUQUBFIJNYOQA-MJBXVCDLSA-N 0 3 350.467 0.659 20 30 FCEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@H]2CCCCN2C(N)=O)[C@@H](O)C1 ZINC001220728609 856267164 /nfs/dbraw/zinc/26/71/64/856267164.db2.gz SGTPPPGIORXBTI-OAGGEKHMSA-N 0 3 352.479 0.827 20 30 FCEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)CNC(=O)c3cscn3)[C@@H]2C1 ZINC001221924829 856737570 /nfs/dbraw/zinc/73/75/70/856737570.db2.gz RKDMREITBHFGIN-UKRRQHHQSA-N 0 3 364.471 0.608 20 30 FCEDHN C=CCO[C@@H](C)C(=O)N1CC[C@H]2CCN(CCN3CCNC3=O)[C@H]2C1 ZINC001224280613 856976426 /nfs/dbraw/zinc/97/64/26/856976426.db2.gz JSMATGJEAORAKV-XHSDSOJGSA-N 0 3 350.463 0.526 20 30 FCEDHN C#CCOCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCCOCC ZINC001226178345 857087311 /nfs/dbraw/zinc/08/73/11/857087311.db2.gz MRYVRUNSPMKOAH-HZPDHXFCSA-N 0 3 353.463 0.196 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC(F)F ZINC001227225262 857150931 /nfs/dbraw/zinc/15/09/31/857150931.db2.gz NIKSZHYTWFXVIK-QJPTWQEYSA-N 0 3 360.405 0.075 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)CCCS1(=O)=O ZINC001229061926 857246925 /nfs/dbraw/zinc/24/69/25/857246925.db2.gz FNAJEDOJSONQGV-CPUCHLNUSA-N 0 3 371.503 0.273 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1(S(C)(=O)=O)CCC1 ZINC001229415007 857269177 /nfs/dbraw/zinc/26/91/77/857269177.db2.gz GYKGTUZCKWYEDM-ZIAGYGMSSA-N 0 3 371.503 0.273 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC(=O)N1C ZINC001229996230 857296679 /nfs/dbraw/zinc/29/66/79/857296679.db2.gz UVFWVCBXEFSZDW-RBSFLKMASA-N 0 3 350.463 0.317 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)CC ZINC001230271182 857321496 /nfs/dbraw/zinc/32/14/96/857321496.db2.gz UKZIOIATRQJUTA-MGPQQGTHSA-N 0 3 359.492 0.129 20 30 FCEDHN C=CCN1CC[C@H](N[C@@H]2CCCC[C@H]2NC(=O)CS(=O)(=O)CC)C1=O ZINC001230271105 857321736 /nfs/dbraw/zinc/32/17/36/857321736.db2.gz QIVFEMOQMDFKAW-KFWWJZLASA-N 0 3 371.503 0.225 20 30 FCEDHN CC#CCN1CCS(=O)(=O)[C@H](CCNC(=O)[C@H]2CCN(C)[C@@H]2CC)C1 ZINC001230466912 857336449 /nfs/dbraw/zinc/33/64/49/857336449.db2.gz DDISHRVVKIWGKF-IXDOHACOSA-N 0 3 369.531 0.345 20 30 FCEDHN C=CCN(CC=C)CCN1CCN([C@@H]2CC[C@@H](C(=O)OC)NC2)CC1 ZINC001246948829 857606478 /nfs/dbraw/zinc/60/64/78/857606478.db2.gz MORDSUYZGKOHCU-MSOLQXFVSA-N 0 3 350.507 0.572 20 30 FCEDHN C#CCOC[C@H](O)CN1CC[C@@H](Oc2ncc(Br)cn2)C1 ZINC001251847816 857760797 /nfs/dbraw/zinc/76/07/97/857760797.db2.gz NDFQRLYPFCCEAD-CHWSQXEVSA-N 0 3 356.220 0.703 20 30 FCEDHN C=CCOC[C@@H](O)CN1C[C@@H](NC(=O)CC2CC2)[C@H]2OCCC[C@H]2C1 ZINC001252463755 857812652 /nfs/dbraw/zinc/81/26/52/857812652.db2.gz ROVKNGURSQKTFF-BMFAXAFESA-N 0 3 352.475 0.946 20 30 FCEDHN C=CCOC[C@@H](O)CN1CCOC[C@]2(CC[C@H](Cn3cccn3)O2)C1 ZINC001252464405 857812923 /nfs/dbraw/zinc/81/29/23/857812923.db2.gz YPFDRMIGWIWFMV-KSZLIROESA-N 0 3 351.447 0.697 20 30 FCEDHN C=CCOC[C@@H](O)CN1CCOC[C@]2(CC[C@@H](Cn3cccn3)O2)C1 ZINC001252464403 857812953 /nfs/dbraw/zinc/81/29/53/857812953.db2.gz YPFDRMIGWIWFMV-BZSNNMDCSA-N 0 3 351.447 0.697 20 30 FCEDHN C=CCOC[C@H](O)CN[C@@H]1C[C@@H](C(=O)OC)N(C(=O)OC(C)(C)C)C1 ZINC001252482048 857815944 /nfs/dbraw/zinc/81/59/44/857815944.db2.gz HYHXCQJNDZJTOO-MCIONIFRSA-N 0 3 358.435 0.691 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NC[C@H]2CCCN(C(C)=O)C2)CC1 ZINC001258211850 858183400 /nfs/dbraw/zinc/18/34/00/858183400.db2.gz RJUGYFUNNCMWJS-OAHLLOKOSA-N 0 3 350.463 0.128 20 30 FCEDHN CCN1C[C@H](C)N(c2nnc(C[C@H](O)CC#N)n2CCOC)C[C@H]1C ZINC001263244019 859136504 /nfs/dbraw/zinc/13/65/04/859136504.db2.gz OCBPJZMPKIPPFW-QLFBSQMISA-N 0 3 350.467 0.660 20 30 FCEDHN CO/N=C(\C(=O)N1CCC2(CN(C)C2)CC1)c1csc(NC=O)n1 ZINC001271760122 860005955 /nfs/dbraw/zinc/00/59/55/860005955.db2.gz OZYOZULYOSYLDN-PDGQHHTCSA-N 0 3 351.432 0.616 20 30 FCEDHN CCCCCCCN1C[C@H](O)C[C@H]1C(=O)N1C[C@H]2CN(C)C[C@@H](C1)O2 ZINC001275283010 861011069 /nfs/dbraw/zinc/01/10/69/861011069.db2.gz XOKVNKKCZJHWOD-BDXSIMOUSA-N 0 3 353.507 0.933 20 30 FCEDHN CN(C)S(=O)(=O)N1CCC2(CCN(Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001279986488 863167004 /nfs/dbraw/zinc/16/70/04/863167004.db2.gz KFRQDTUTYDSDNU-UHFFFAOYSA-N 0 3 365.503 0.991 20 30 FCEDHN C[C@H](C#N)S(=O)(=O)N1CCC[C@]2(CCN(CCn3ccnc3)C2)C1 ZINC001280299469 863386827 /nfs/dbraw/zinc/38/68/27/863386827.db2.gz KXUYSSGUSJWQLR-HZPDHXFCSA-N 0 3 351.476 0.913 20 30 FCEDHN CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001304083114 866493185 /nfs/dbraw/zinc/49/31/85/866493185.db2.gz AMSFGFBMWAMWLI-HIFRSBDPSA-N 0 3 351.447 0.882 20 30 FCEDHN CN(C)C(=O)CC[NH+]1CCC(/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC001322627289 868887730 /nfs/dbraw/zinc/88/77/30/868887730.db2.gz YPNWLRNNXFYEFM-UHFFFAOYSA-N 0 3 364.471 0.668 20 30 FCEDHN Cc1ccccc1COCC(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC001343410969 870412379 /nfs/dbraw/zinc/41/23/79/870412379.db2.gz JWMBGKXUMYEGQK-OAHLLOKOSA-N 0 3 364.423 0.478 20 30 FCEDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC001344845434 871059730 /nfs/dbraw/zinc/05/97/30/871059730.db2.gz BAGKTJRPJXSVEE-RWMBFGLXSA-N 0 3 364.471 0.713 20 30 FCEDHN C=C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1cc(C)nc(C)c1 ZINC001333041956 873773173 /nfs/dbraw/zinc/77/31/73/873773173.db2.gz SOFNBDDDGDJPEB-NSHDSACASA-N 0 3 361.489 0.746 20 30 FCEDHN C#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573282201 946686319 /nfs/dbraw/zinc/68/63/19/946686319.db2.gz GPAGLMRYDJUDTF-AEIGPULVSA-N 0 3 351.414 0.610 20 30 FCEDHN C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573282201 946686326 /nfs/dbraw/zinc/68/63/26/946686326.db2.gz GPAGLMRYDJUDTF-AEIGPULVSA-N 0 3 351.414 0.610 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@@H](CC)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573286755 946819081 /nfs/dbraw/zinc/81/90/81/946819081.db2.gz IGKJXBAEVFEJNW-UKRRQHHQSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@@H](CC)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573286755 946819094 /nfs/dbraw/zinc/81/90/94/946819094.db2.gz IGKJXBAEVFEJNW-UKRRQHHQSA-N 0 3 356.430 0.889 20 30 FCEDHN C[C@@H](C#N)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573561868 946968388 /nfs/dbraw/zinc/96/83/88/946968388.db2.gz OBOOBTMIKYKBMM-JQWIXIFHSA-N 0 3 361.381 0.074 20 30 FCEDHN C=C[C@](C)(O)CC(=O)NCCC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573309601 947204949 /nfs/dbraw/zinc/20/49/49/947204949.db2.gz LLYCLPXCKQUJBZ-KRWDZBQOSA-N 0 3 362.409 0.929 20 30 FCEDHN C=C[C@](C)(O)CC(=O)N(C)CC[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573310047 947215454 /nfs/dbraw/zinc/21/54/54/947215454.db2.gz RTJZBBVWMLYEQB-KRWDZBQOSA-N 0 3 362.409 0.881 20 30 FCEDHN C=C[C@](C)(O)CC(=O)N(C)CC[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573310047 947215456 /nfs/dbraw/zinc/21/54/56/947215456.db2.gz RTJZBBVWMLYEQB-KRWDZBQOSA-N 0 3 362.409 0.881 20 30 FCEDHN C[C@H](CNC(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574983738 950239587 /nfs/dbraw/zinc/23/95/87/950239587.db2.gz RMRUIGHLCLRCFR-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@H](CNC(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574983738 950239598 /nfs/dbraw/zinc/23/95/98/950239598.db2.gz RMRUIGHLCLRCFR-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]Cc1ccc(C#N)cc1 ZINC001574983975 950250158 /nfs/dbraw/zinc/25/01/58/950250158.db2.gz UNMUXCFZSNSSSM-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]Cc1cccc(C#N)c1 ZINC001574996323 950526326 /nfs/dbraw/zinc/52/63/26/950526326.db2.gz LHYRBRRLRIKGBA-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]Cc1cccc(C#N)c1 ZINC001574996323 950526341 /nfs/dbraw/zinc/52/63/41/950526341.db2.gz LHYRBRRLRIKGBA-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN C#CCN(C)CCCNC(=O)Nc1cccc(S(=O)(=O)NC)c1C ZINC000930433293 674024694 /nfs/dbraw/zinc/02/46/94/674024694.db2.gz ZANFEGLIRZQARA-UHFFFAOYSA-N 0 3 352.460 0.980 20 30 FCEDHN CN(CC(=O)NC1(C#N)CCCCC1)C1CCN(S(C)(=O)=O)CC1 ZINC000121399180 529831447 /nfs/dbraw/zinc/83/14/47/529831447.db2.gz MAEYNMYDCNTQAI-UHFFFAOYSA-N 0 3 356.492 0.685 20 30 FCEDHN CCN1C[C@H](C)N(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C[C@@H]1C ZINC000332410611 215147380 /nfs/dbraw/zinc/14/73/80/215147380.db2.gz QXLCUEWJYPHVQG-GJZGRUSLSA-N 0 3 374.489 0.918 20 30 FCEDHN CN(CCNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000285156684 213293922 /nfs/dbraw/zinc/29/39/22/213293922.db2.gz SZKIIMFLDNIQDP-UHFFFAOYSA-N 0 3 369.469 0.413 20 30 FCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](CO)[C@H]3C)CC2)o1 ZINC000412074724 237159407 /nfs/dbraw/zinc/15/94/07/237159407.db2.gz ISMSYLULQOSSNE-HIFRSBDPSA-N 0 3 361.446 0.596 20 30 FCEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000187392212 209212734 /nfs/dbraw/zinc/21/27/34/209212734.db2.gz IDTPKKMNDBGBRK-OAHLLOKOSA-N 0 3 357.458 0.947 20 30 FCEDHN COCCN(CCN(C)C)C(=O)C(=O)NCc1cc(C#N)ccc1F ZINC000931591394 674122151 /nfs/dbraw/zinc/12/21/51/674122151.db2.gz CDNDNRZQQNDDQN-UHFFFAOYSA-N 0 3 350.394 0.350 20 30 FCEDHN CO[C@H]1CCN(C(=O)C(=O)NCCOc2ccc(C#N)cc2)[C@@H](CN)C1 ZINC000419462574 246172553 /nfs/dbraw/zinc/17/25/53/246172553.db2.gz JTCYQTFOPPVPBK-ZBFHGGJFSA-N 0 3 360.414 0.018 20 30 FCEDHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000419950965 246384010 /nfs/dbraw/zinc/38/40/10/246384010.db2.gz IUOHWVHZNFKGJS-IAGOWNOFSA-N 0 3 358.442 0.948 20 30 FCEDHN N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CCC[C@@H]3CN)CC2)cc1 ZINC000423654053 247094308 /nfs/dbraw/zinc/09/43/08/247094308.db2.gz AGLDCSORCCFABB-QGZVFWFLSA-N 0 3 355.442 0.152 20 30 FCEDHN C[C@H](CN)N(C)C(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000423706712 247117201 /nfs/dbraw/zinc/11/72/01/247117201.db2.gz RKUUMMQSYYNWHI-GFCCVEGCSA-N 0 3 362.405 0.873 20 30 FCEDHN C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)[C@H]1CN ZINC000423718306 247124348 /nfs/dbraw/zinc/12/43/48/247124348.db2.gz BQLRQKULRCJEJR-HOCLYGCPSA-N 0 3 370.457 0.188 20 30 FCEDHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)[C@@H]1CN ZINC000423718304 247125300 /nfs/dbraw/zinc/12/53/00/247125300.db2.gz BQLRQKULRCJEJR-GDBMZVCRSA-N 0 3 370.457 0.188 20 30 FCEDHN N#CCCC[C@H](N)C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000424065784 247167027 /nfs/dbraw/zinc/16/70/27/247167027.db2.gz MKDRBWMQYRCASF-INIZCTEOSA-N 0 3 364.471 0.977 20 30 FCEDHN CCN(CC)CCN(C(=O)[C@H](N)CCCC#N)[C@H]1CCS(=O)(=O)C1 ZINC000424194940 247175077 /nfs/dbraw/zinc/17/50/77/247175077.db2.gz SLQUTKCADMOIOO-LSDHHAIUSA-N 0 3 358.508 0.365 20 30 FCEDHN Cn1cc([C@@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3C#N)C[C@H]2N)cn1 ZINC000424449881 247223010 /nfs/dbraw/zinc/22/30/10/247223010.db2.gz UPKWOBBZMKZCIY-UONOGXRCSA-N 0 3 356.361 0.323 20 30 FCEDHN C[C@@H](NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)c1ccc(C#N)cc1 ZINC000424542246 247256640 /nfs/dbraw/zinc/25/66/40/247256640.db2.gz FMQDIJZZJOOJBD-OAUYIBNBSA-N 0 3 366.425 0.422 20 30 FCEDHN CC#CCNC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000440606293 248199545 /nfs/dbraw/zinc/19/95/45/248199545.db2.gz UTKYTJPFCXSKNM-UHFFFAOYSA-N 0 3 356.426 0.462 20 30 FCEDHN N#Cc1cnn(-c2ccc(C(=O)NC[C@H]3CCCN3CCCO)cc2)c1N ZINC000452348119 249310089 /nfs/dbraw/zinc/31/00/89/249310089.db2.gz KOEWNIJRYPAZOJ-QGZVFWFLSA-N 0 3 368.441 0.903 20 30 FCEDHN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000452974617 249338329 /nfs/dbraw/zinc/33/83/29/249338329.db2.gz MFNUDZGCSJQEIL-DUVNUKRYSA-N 0 3 362.455 0.388 20 30 FCEDHN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)O1 ZINC000471107988 250091815 /nfs/dbraw/zinc/09/18/15/250091815.db2.gz VAZNIMMQJVHEIJ-BBWFWOEESA-N 0 3 354.410 0.993 20 30 FCEDHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCSC[C@@H]1C#N ZINC000480879256 250290066 /nfs/dbraw/zinc/29/00/66/250290066.db2.gz KYKZAQZKHQCEAN-ZDUSSCGKSA-N 0 3 357.505 0.691 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC(CC(N)=O)C2)cc1 ZINC000480996963 250307356 /nfs/dbraw/zinc/30/73/56/250307356.db2.gz GTCRKOGGJGKBNX-JTQLQIEISA-N 0 3 350.400 0.711 20 30 FCEDHN CCOC(=O)CNC(=O)C1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000269698301 211048670 /nfs/dbraw/zinc/04/86/70/211048670.db2.gz XUJYFDCBTVLMNQ-QGZVFWFLSA-N 0 3 359.426 0.983 20 30 FCEDHN CN(C)CCN1C[C@@H](C(=O)N2CCN(c3ccccc3C#N)CC2)CC1=O ZINC000073243654 208048032 /nfs/dbraw/zinc/04/80/32/208048032.db2.gz HDBCPEPWRBKPKT-KRWDZBQOSA-N 0 3 369.469 0.617 20 30 FCEDHN Cn1ccc(/C=c2\sc(=C(C#N)C#N)n(C3CCN(C)CC3)c2=O)c1 ZINC000123592386 208437747 /nfs/dbraw/zinc/43/77/47/208437747.db2.gz NRHOPTWHTXWBNV-SXGWCWSVSA-N 0 3 353.451 0.542 20 30 FCEDHN COC(=O)C(C)(C)CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000330930195 533127052 /nfs/dbraw/zinc/12/70/52/533127052.db2.gz OYKMCGSTFOWWJR-UHFFFAOYSA-N 0 3 354.451 0.340 20 30 FCEDHN C[C@@H](C#N)CN(C)C(=O)C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000411019126 533132270 /nfs/dbraw/zinc/13/22/70/533132270.db2.gz MBSZFYRKJNEPIL-JXFKEZNVSA-N 0 3 372.469 0.700 20 30 FCEDHN C[C@@H](C#N)CN(C)S(=O)(=O)Nc1ccc(OC[C@@H](O)CN(C)C)cc1 ZINC000410135353 533146401 /nfs/dbraw/zinc/14/64/01/533146401.db2.gz NCSORTGAAJFGOP-ZFWWWQNUSA-N 0 3 370.475 0.736 20 30 FCEDHN CCN(C)CCNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000177024830 209012806 /nfs/dbraw/zinc/01/28/06/209012806.db2.gz JXGIKVLDZMJKFC-UHFFFAOYSA-N 0 3 355.402 0.204 20 30 FCEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@H](C3OCCO3)C2)CC1 ZINC000932003221 674161753 /nfs/dbraw/zinc/16/17/53/674161753.db2.gz NQYXPHZCFJJLKS-HOTGVXAUSA-N 0 3 350.463 0.374 20 30 FCEDHN NC(=NOCC(=O)N1CCCC1)c1ccccc1CN1CCC(O)CC1 ZINC000109322452 229164960 /nfs/dbraw/zinc/16/49/60/229164960.db2.gz DJZGPUKDJIWMJC-UHFFFAOYSA-N 0 3 360.458 0.903 20 30 FCEDHN CN(C)CCNC(=O)c1cccc(CNS(=O)(=O)CC2(C#N)CC2)c1 ZINC000165162221 229203977 /nfs/dbraw/zinc/20/39/77/229203977.db2.gz KJSGRKHEFUWVEW-UHFFFAOYSA-N 0 3 364.471 0.701 20 30 FCEDHN N#C[C@@H]1CN(S(=O)(=O)NCc2ccccc2CN2CCCC2)CCO1 ZINC000409549156 230028448 /nfs/dbraw/zinc/02/84/48/230028448.db2.gz ABIDQTUADTUVMA-QGZVFWFLSA-N 0 3 364.471 0.841 20 30 FCEDHN C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000363663644 488870418 /nfs/dbraw/zinc/87/04/18/488870418.db2.gz GCZXUDBRAPFPJX-CQSZACIVSA-N 0 3 358.508 0.055 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H]2COC[C@H]2O)cc1 ZINC000287474756 488873051 /nfs/dbraw/zinc/87/30/51/488873051.db2.gz YKAQEYUDZUAIBQ-LERXQTSPSA-N 0 3 353.400 0.596 20 30 FCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1cccnn1 ZINC000287590009 488885050 /nfs/dbraw/zinc/88/50/50/488885050.db2.gz LXFWRTBCXWVAOI-UHFFFAOYSA-N 0 3 366.425 0.555 20 30 FCEDHN C=CCNC(=O)c1ccc(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)nc1 ZINC000301987918 488886928 /nfs/dbraw/zinc/88/69/28/488886928.db2.gz ZUICHOBYYHEHSC-MRXNPFEDSA-N 0 3 357.458 0.916 20 30 FCEDHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000287640865 488890157 /nfs/dbraw/zinc/89/01/57/488890157.db2.gz BWLTWAOBZCJFNZ-ZDUSSCGKSA-N 0 3 352.416 0.078 20 30 FCEDHN CCOC(=O)CO/N=C(/C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)c1cc[nH]n1 ZINC000278851562 488900254 /nfs/dbraw/zinc/90/02/54/488900254.db2.gz WRLQWMJHJNOSMY-BGHVONIXSA-N 0 3 363.418 0.292 20 30 FCEDHN O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363936003 488903306 /nfs/dbraw/zinc/90/33/06/488903306.db2.gz DIIJITVDDZMLNS-OLZOCXBDSA-N 0 3 362.455 0.468 20 30 FCEDHN O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363936003 488903308 /nfs/dbraw/zinc/90/33/08/488903308.db2.gz DIIJITVDDZMLNS-OLZOCXBDSA-N 0 3 362.455 0.468 20 30 FCEDHN CCN1CCC(NC(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)CC1 ZINC000328804243 488939922 /nfs/dbraw/zinc/93/99/22/488939922.db2.gz HGLZUOQXHIGHEO-UHFFFAOYSA-N 0 3 365.522 0.871 20 30 FCEDHN C[C@@H](NC(=O)c1cn(C)c(=O)[nH]c1=O)C(=O)NCCN1CCCCC1 ZINC000328774185 488936819 /nfs/dbraw/zinc/93/68/19/488936819.db2.gz KGJIOLNDNZWFPP-LLVKDONJSA-N 0 3 351.407 0.621 20 30 FCEDHN CN1CCN(CCNC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)CC1(C)C ZINC000328972889 488956687 /nfs/dbraw/zinc/95/66/87/488956687.db2.gz AKXJXQFUKRYUPR-GVDBMIGSSA-N 0 3 368.522 0.788 20 30 FCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCNS(C)(=O)=O ZINC000045588185 487945202 /nfs/dbraw/zinc/94/52/02/487945202.db2.gz KGAHKZPGEDVXHT-UHFFFAOYSA-N 0 3 367.475 0.181 20 30 FCEDHN CN(C)CCN1CCC(NC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1 ZINC000329065811 488965060 /nfs/dbraw/zinc/96/50/60/488965060.db2.gz WISNWINLTDULTR-KSZLIROESA-N 0 3 368.522 0.788 20 30 FCEDHN CCCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000063761992 488308653 /nfs/dbraw/zinc/30/86/53/488308653.db2.gz CEAXPDCQKJRUED-UHFFFAOYSA-N 0 3 364.471 0.733 20 30 FCEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cn1ccc(=O)n(C)c1=O ZINC000068310550 488363583 /nfs/dbraw/zinc/36/35/83/488363583.db2.gz RDFDSVHQRIMIJY-UHFFFAOYSA-N 0 3 369.425 0.009 20 30 FCEDHN C=CCNC(=O)NC(=O)CN1CCC(CCCN2CCOCC2)CC1 ZINC000182963672 488390385 /nfs/dbraw/zinc/39/03/85/488390385.db2.gz HTLTXEWXFJMWDM-UHFFFAOYSA-N 0 3 352.479 0.823 20 30 FCEDHN CCN1CCN([C@H](C)CNS(=O)(=O)c2ccc(C#N)cc2OC)CC1 ZINC000190911571 488418601 /nfs/dbraw/zinc/41/86/01/488418601.db2.gz KQSVEDILKKNAEH-CQSZACIVSA-N 0 3 366.487 0.871 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)N(C)C[C@@H](O)CN2CCOCC2)CC1 ZINC000083720775 488448756 /nfs/dbraw/zinc/44/87/56/488448756.db2.gz IBWXSINQFOVTFZ-QGZVFWFLSA-N 0 3 354.495 0.361 20 30 FCEDHN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@@H](O)CN2)cc1 ZINC000269270093 488484840 /nfs/dbraw/zinc/48/48/40/488484840.db2.gz WRNVHDQVBFLERC-KGYKAZRBSA-N 0 3 366.443 0.161 20 30 FCEDHN CC(C)Oc1ccc(NC(=O)C(=O)NCC2(O)CCN(C)CC2)cc1C#N ZINC000269373676 488497053 /nfs/dbraw/zinc/49/70/53/488497053.db2.gz JMFPBQQXJQEUGV-UHFFFAOYSA-N 0 3 374.441 0.857 20 30 FCEDHN CN1CCN(CC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000109936820 488524526 /nfs/dbraw/zinc/52/45/26/488524526.db2.gz BINNVNBPLHVYJC-UHFFFAOYSA-N 0 3 355.486 0.840 20 30 FCEDHN CS(=O)(=O)C1CCC(NCCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000562995206 491206661 /nfs/dbraw/zinc/20/66/61/491206661.db2.gz ISZQFTUONORBJE-UHFFFAOYSA-N 0 3 371.484 0.672 20 30 FCEDHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000272451384 488581861 /nfs/dbraw/zinc/58/18/61/488581861.db2.gz BJRFSBLVRSWCNP-AWEZNQCLSA-N 0 3 362.430 0.953 20 30 FCEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1cccc(C(N)=O)n1)C(C)C ZINC000272585366 488590366 /nfs/dbraw/zinc/59/03/66/488590366.db2.gz RIVNKJQJMUHWEB-HNNXBMFYSA-N 0 3 373.457 0.934 20 30 FCEDHN N#Cc1ccc(S(=O)(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)cn1 ZINC000127411040 488616724 /nfs/dbraw/zinc/61/67/24/488616724.db2.gz FYQFJXANWCNYAV-IRXDYDNUSA-N 0 3 364.471 0.999 20 30 FCEDHN N#Cc1ccc(NC(=O)CN2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000131165368 488643275 /nfs/dbraw/zinc/64/32/75/488643275.db2.gz AYDYIBLBCSDGKB-KRWDZBQOSA-N 0 3 355.442 0.911 20 30 FCEDHN CC1CCN(C[C@H](O)CNC(=O)C(=O)Nc2ccc(C#N)cc2F)CC1 ZINC000136236748 488677279 /nfs/dbraw/zinc/67/72/79/488677279.db2.gz PIIXILVBCLMDFQ-CQSZACIVSA-N 0 3 362.405 0.845 20 30 FCEDHN C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000554634711 491214640 /nfs/dbraw/zinc/21/46/40/491214640.db2.gz ZEDODUDTLXBEKY-MRXNPFEDSA-N 0 3 374.489 0.859 20 30 FCEDHN C=CCn1cc(CNC(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)nn1 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0 3 356.350 0.473 20 30 FCEDHN N#CC(C(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)NCc1cccc(Cl)c1 ZINC000786547018 668764217 /nfs/dbraw/zinc/76/42/17/668764217.db2.gz ODLXUGPOAMPDCB-LLVKDONJSA-N 0 3 362.733 0.865 20 30 FCEDHN C[C@H](OC(=O)C1CC[C@H](C(F)(F)F)NC1=O)C(=O)NC1(C#N)CCC1 ZINC000787634537 668804164 /nfs/dbraw/zinc/80/41/64/668804164.db2.gz VAKBJXQZSKPNCN-IVZWLZJFSA-N 0 3 361.320 0.938 20 30 FCEDHN C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000788611186 668835010 /nfs/dbraw/zinc/83/50/10/668835010.db2.gz NUUMCFCETBNIGZ-UHFFFAOYSA-N 0 3 363.483 0.898 20 30 FCEDHN C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1=O ZINC000793715334 668944902 /nfs/dbraw/zinc/94/49/02/668944902.db2.gz YFKAUXSHEPLVOU-HUUCEWRRSA-N 0 3 350.463 0.222 20 30 FCEDHN C(CNN=C1CCN(CCN2CCOCC2)CC1)CN1CCOCC1 ZINC000799488824 669301531 /nfs/dbraw/zinc/30/15/31/669301531.db2.gz JVUNEJPNFFBRJE-UHFFFAOYSA-N 0 3 353.511 0.082 20 30 FCEDHN C[C@H](CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000825249320 669444162 /nfs/dbraw/zinc/44/41/62/669444162.db2.gz BQNRQBOIBGOEOM-BZPMIXESSA-N 0 3 362.455 0.324 20 30 FCEDHN CN(C)CCN1c2ccccc2C(=NN[C@H]2CCS(=O)(=O)C2)C1=O ZINC000807940982 669528113 /nfs/dbraw/zinc/52/81/13/669528113.db2.gz YZBWSGHCDODALN-LBPRGKRZSA-N 0 3 350.444 0.076 20 30 FCEDHN C#CCC[NH+]1CCC(NC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)CC1 ZINC000810428705 669679460 /nfs/dbraw/zinc/67/94/60/669679460.db2.gz KLEPMJAXRKTQSR-UHFFFAOYSA-N 0 3 368.459 0.174 20 30 FCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1C ZINC000815861145 669925929 /nfs/dbraw/zinc/92/59/29/669925929.db2.gz SFZMMUUKZSRROK-UHFFFAOYSA-N 0 3 365.455 0.408 20 30 FCEDHN C[C@@H](CC(=O)N(C)C1CC([NH3+])C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000834834498 669978773 /nfs/dbraw/zinc/97/87/73/669978773.db2.gz HLZLJCIIEHMGDM-UNXYVOJBSA-N 0 3 350.444 0.452 20 30 FCEDHN C#CCN(C)CCCNC(=O)N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000836489981 670051377 /nfs/dbraw/zinc/05/13/77/670051377.db2.gz AKWWUISNVSZEBS-AWEZNQCLSA-N 0 3 366.487 0.992 20 30 FCEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc(OC)cc1CC(=O)OC ZINC000841525949 670579257 /nfs/dbraw/zinc/57/92/57/670579257.db2.gz RXDHRYYGDKSDJN-UHFFFAOYSA-N 0 3 368.455 0.644 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)CC(C)(F)F)C[C@@H]2O)CC1 ZINC000966004313 675120775 /nfs/dbraw/zinc/12/07/75/675120775.db2.gz IIJFNJXBQMXCHF-KGLIPLIRSA-N 0 3 357.401 0.065 20 30 FCEDHN CCCCCCO[C@@H](C)C(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000842306480 670666147 /nfs/dbraw/zinc/66/61/47/670666147.db2.gz LIYURPVULKXQQB-KBPBESRZSA-N 0 3 358.460 0.938 20 30 FCEDHN CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCC1C[NH2+]C1 ZINC000843453099 670817504 /nfs/dbraw/zinc/81/75/04/670817504.db2.gz YCLBOYXOHOUPIS-CQSZACIVSA-N 0 3 364.471 0.475 20 30 FCEDHN C[C@@H]1NCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@H]1C ZINC000843474196 670824004 /nfs/dbraw/zinc/82/40/04/670824004.db2.gz SKCGPHGAFTZVLZ-RYUDHWBXSA-N 0 3 350.444 0.324 20 30 FCEDHN C[C@H](CC(=O)N(C)CC(C)(C)[NH3+])/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000852842235 671527319 /nfs/dbraw/zinc/52/73/19/671527319.db2.gz TUAQVVKHTBZLNA-LLVKDONJSA-N 0 3 352.460 0.699 20 30 FCEDHN C#CC[C@H](CCOC)NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000875917832 672927563 /nfs/dbraw/zinc/92/75/63/672927563.db2.gz HDMVXIFMDYIDEU-CVEARBPZSA-N 0 3 350.463 0.363 20 30 FCEDHN N#Cc1cccc(CN2CCC(NS(=O)(=O)N3CCNCC3)CC2)c1 ZINC000923652332 672976186 /nfs/dbraw/zinc/97/61/86/672976186.db2.gz MGOZHZHNRDKNNK-UHFFFAOYSA-N 0 3 363.487 0.262 20 30 FCEDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000881466539 673229982 /nfs/dbraw/zinc/22/99/82/673229982.db2.gz ZKWFWRGNOZWIGZ-CVEARBPZSA-N 0 3 362.455 0.532 20 30 FCEDHN C#CCC1(O)CCN(C(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)CC1 ZINC000882531352 673320633 /nfs/dbraw/zinc/32/06/33/673320633.db2.gz JIBAGFUXTDOYAX-AWEZNQCLSA-N 0 3 353.463 0.818 20 30 FCEDHN C#CC[C@H](COC)NC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000883747227 673393716 /nfs/dbraw/zinc/39/37/16/673393716.db2.gz DPRLBTSCCFTHSO-OAHLLOKOSA-N 0 3 350.463 0.540 20 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1167890164 /nfs/dbraw/zinc/89/01/64/1167890164.db2.gz BAOLITKQLCBMME-KURKYZTESA-N 0 3 370.453 0.237 20 30 FCEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)C[C@@H]2O)nc1 ZINC000969348915 1167891600 /nfs/dbraw/zinc/89/16/00/1167891600.db2.gz VMIWOICQMNMELY-SJORKVTESA-N 0 3 370.453 0.239 20 30 FCEDHN C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]1O ZINC000969412720 1167938325 /nfs/dbraw/zinc/93/83/25/1167938325.db2.gz JYZPERIPXDQVIN-KURKYZTESA-N 0 3 357.454 0.239 20 30 FCEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCN3CCC)C[C@@H]2O)cc1 ZINC000969481091 1167978811 /nfs/dbraw/zinc/97/88/11/1167978811.db2.gz CNHWPKGMVONMIO-QYZOEREBSA-N 0 3 369.465 0.844 20 30 FCEDHN C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)C[C@@H]2O)c1 ZINC000970409794 1168845904 /nfs/dbraw/zinc/84/59/04/1168845904.db2.gz VWASUOXIAORJLW-SJORKVTESA-N 0 3 370.453 0.239 20 30 FCEDHN CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)C1 ZINC000970649676 1169259875 /nfs/dbraw/zinc/25/98/75/1169259875.db2.gz VPNAKHWABWQTGH-VCBZYWHSSA-N 0 3 365.449 0.300 20 30 FCEDHN O=C(Cc1c[nH]cn1)N1CCO[C@@H]2CN(CC#Cc3ccccc3)C[C@@H]21 ZINC001083207933 1169789037 /nfs/dbraw/zinc/78/90/37/1169789037.db2.gz WUXATKHKXJYWSF-RBUKOAKNSA-N 0 3 350.422 0.916 20 30 FCEDHN C=CCn1cc(C(=O)N2CCO[C@@H]3CN(C[C@@H]4CCCOC4)C[C@@H]32)nn1 ZINC001083217837 1170282095 /nfs/dbraw/zinc/28/20/95/1170282095.db2.gz QEUPRHFZPZUJBF-BHYGNILZSA-N 0 3 361.446 0.416 20 30 FCEDHN C#Cc1cccc(NC(=O)CN[C@H]2C[C@@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)c1 ZINC001691114595 1170827598 /nfs/dbraw/zinc/82/75/98/1170827598.db2.gz OOHJQURSXPCBBD-XBVQOTNRSA-N 0 3 368.437 0.212 20 30 FCEDHN C#CCNC(=O)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2cnc[nH]2)C1 ZINC001691199994 1170857985 /nfs/dbraw/zinc/85/79/85/1170857985.db2.gz MTFRQVYNBOLWCT-ZWKOTPCHSA-N 0 3 365.437 0.286 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NCc2ccnn2C)C1 ZINC001691279958 1171025052 /nfs/dbraw/zinc/02/50/52/1171025052.db2.gz HLPBNJYGQQHJQA-JCGIZDLHSA-N 0 3 370.457 0.276 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCc3nncn3C2)C[C@H]1c1cnn(C)c1 ZINC001691286489 1171040305 /nfs/dbraw/zinc/04/03/05/1171040305.db2.gz WVVOLCCWNOTGQR-HYVNUMGLSA-N 0 3 367.457 0.182 20 30 FCEDHN CC(C)CNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](C)C#N ZINC001691347440 1171164180 /nfs/dbraw/zinc/16/41/80/1171164180.db2.gz JXHHFMKPDZFJOA-ILXRZTDVSA-N 0 3 365.478 0.845 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1c1ccccc1 ZINC001211533703 1171387924 /nfs/dbraw/zinc/38/79/24/1171387924.db2.gz BOAACFROOWVLJX-DOTOQJQBSA-N 0 3 353.426 0.910 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1c1ccccc1 ZINC001211533703 1171387933 /nfs/dbraw/zinc/38/79/33/1171387933.db2.gz BOAACFROOWVLJX-DOTOQJQBSA-N 0 3 353.426 0.910 20 30 FCEDHN COCC#CCN[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1c1ccccc1 ZINC001211559884 1172096889 /nfs/dbraw/zinc/09/68/89/1172096889.db2.gz WZGNHMDYBKLHJD-DLBZAZTESA-N 0 3 365.437 0.906 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1c1ccccc1 ZINC001211563459 1178848200 /nfs/dbraw/zinc/84/82/00/1178848200.db2.gz UPLCXSWIDGFNDS-CWRNSKLLSA-N 0 3 358.442 0.137 20 30 FCEDHN COCC#CCN[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1c1ccccc1 ZINC001211588228 1179180740 /nfs/dbraw/zinc/18/07/40/1179180740.db2.gz IEEPGCDQXVUXSN-BBWFWOEESA-N 0 3 357.410 0.329 20 30 FCEDHN C#CCOCCC(=O)N1C[C@@H](c2ccccc2)[C@H](N[C@H](C)C(=O)NC)C1 ZINC001211598767 1179390607 /nfs/dbraw/zinc/39/06/07/1179390607.db2.gz IJAQOJQUHGNINB-BPQIPLTHSA-N 0 3 357.454 0.745 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCN3C(C)C)C2)nc1 ZINC001023705597 1180127700 /nfs/dbraw/zinc/12/77/00/1180127700.db2.gz AAORLMLPAPJDQQ-KZNAEPCWSA-N 0 3 370.453 0.237 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CC3)C[C@H]2O)CC1 ZINC001024129980 1180858281 /nfs/dbraw/zinc/85/82/81/1180858281.db2.gz ADUNZADNWJKJKK-BSDSXHPESA-N 0 3 359.470 0.066 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)c3occc3C)C[C@H]2O)CC1 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C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)Cn1cccn1 ZINC001109121757 1200062845 /nfs/dbraw/zinc/06/28/45/1200062845.db2.gz IVDGVVJRTAUBGD-BDXSIMOUSA-N 0 3 362.474 0.948 20 30 FCEDHN N#CCOc1ccc(CN2C[C@@H](NC(=O)CCc3cnc[nH]3)[C@@H](O)C2)cc1 ZINC001219769056 1224605710 /nfs/dbraw/zinc/60/57/10/1224605710.db2.gz PAZGEYARXKBYGD-MSOLQXFVSA-N 0 3 369.425 0.606 20 30 FCEDHN C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)N1CCCC1)C2 ZINC001109555426 1200387332 /nfs/dbraw/zinc/38/73/32/1200387332.db2.gz PYTSKRJFPYAWTM-VUHPKUFZSA-N 0 3 358.486 0.332 20 30 FCEDHN C#CCC1(C(=O)N[C@@H]2CN(C[C@@H](OC)C3CCC3)C[C@@H]2O)CCOCC1 ZINC001219784266 1224612441 /nfs/dbraw/zinc/61/24/41/1224612441.db2.gz VKVGXLXUUASMAL-FGTMMUONSA-N 0 3 364.486 0.783 20 30 FCEDHN CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N ZINC001109798711 1200523030 /nfs/dbraw/zinc/52/30/30/1200523030.db2.gz OPIIYTBDDNHYPK-QZWWFDLISA-N 0 3 361.490 0.611 20 30 FCEDHN CC[C@H]1CCCCN1CCNC(=O)C(=O)NCCNc1ncccc1C#N 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LPQSBWZUOMSHQQ-KGLIPLIRSA-N 0 3 363.466 0.293 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2c(C)noc2C)C[C@@H]1n1ccnn1 ZINC001129556863 1201344655 /nfs/dbraw/zinc/34/46/55/1201344655.db2.gz VNUWRPMDVBADAM-CABCVRRESA-N 0 3 360.418 0.741 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2ccnc(F)c2)C[C@@H]1n1ccnn1 ZINC001129656575 1201367840 /nfs/dbraw/zinc/36/78/40/1201367840.db2.gz RYHCNRWFPYKMQX-CABCVRRESA-N 0 3 360.393 0.670 20 30 FCEDHN CC(C)OCCN[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1n1ccnn1 ZINC001129737657 1201381562 /nfs/dbraw/zinc/38/15/62/1201381562.db2.gz SXDPVOFLPSRTQX-CVEARBPZSA-N 0 3 357.418 0.558 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1C[C@@H](NCCOCCCC)[C@@H](n2ccnn2)C1 ZINC001129829364 1201402742 /nfs/dbraw/zinc/40/27/42/1201402742.db2.gz FWTUGPQCGJNZRB-ZACQAIPSSA-N 0 3 363.462 0.475 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1C[C@@H](NCCOCC(C)C)[C@@H](n2ccnn2)C1 ZINC001129829728 1201403032 /nfs/dbraw/zinc/40/30/32/1201403032.db2.gz NMAKPHWUAYFETA-BBWFWOEESA-N 0 3 363.462 0.331 20 30 FCEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCO[C@H]1c1ccnn1CC ZINC001129859947 1201407457 /nfs/dbraw/zinc/40/74/57/1201407457.db2.gz OSEMVLQFZXDRRE-SQWLQELKSA-N 0 3 363.462 0.377 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)[C@@H](OCC)C(C)C)C[C@@H]1n1ccnn1 ZINC001129837706 1201410616 /nfs/dbraw/zinc/41/06/16/1201410616.db2.gz KELFAAHVKWZKRO-IKGGRYGDSA-N 0 3 365.478 0.883 20 30 FCEDHN C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@@H]1n1ccnn1 ZINC001129902579 1201434911 /nfs/dbraw/zinc/43/49/11/1201434911.db2.gz SZYHNLYRJYAJIX-CABCVRRESA-N 0 3 367.413 0.330 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)Cn2cnc3c2CCCC3)C[C@@H]1n1ccnn1 ZINC001129936665 1201436125 /nfs/dbraw/zinc/43/61/25/1201436125.db2.gz JHMCRKXMIFGFQY-AEFFLSMTSA-N 0 3 367.457 0.418 20 30 FCEDHN CC#CCCCC(=O)N1C[C@@H](NCCOCCOC)[C@@H](n2ccnn2)C1 ZINC001129972769 1201459658 /nfs/dbraw/zinc/45/96/58/1201459658.db2.gz MBCCKKADNFQJPR-SJORKVTESA-N 0 3 363.462 0.476 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@H]2CCc3cnc(C)n3C2)C[C@@H]1n1ccnn1 ZINC001129982947 1201462516 /nfs/dbraw/zinc/46/25/16/1201462516.db2.gz KMSOESOWZHPTIQ-JQHSSLGASA-N 0 3 367.457 0.410 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2ocnc2CC)C[C@@H]1n1ccnn1 ZINC001129997169 1201465817 /nfs/dbraw/zinc/46/58/17/1201465817.db2.gz BGAMBBNRONSFMJ-CABCVRRESA-N 0 3 360.418 0.686 20 30 FCEDHN C=C(C)CN(CC)C(=O)CN1C[C@@H](NC(=O)C(C)(C)N(C)CC)[C@@H](O)C1 ZINC001219903245 1224675639 /nfs/dbraw/zinc/67/56/39/1224675639.db2.gz WFHYHQUGNYLNML-CVEARBPZSA-N 0 3 368.522 0.303 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@@H](NCCOCC=C)[C@@H](n3ccnn3)C2)nc1 ZINC001130094107 1201498515 /nfs/dbraw/zinc/49/85/15/1201498515.db2.gz BXYYBGZPEQLECO-MSOLQXFVSA-N 0 3 366.425 0.512 20 30 FCEDHN C=CCC[NH2+][C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@@H]1n1ccnn1 ZINC001130121375 1201510410 /nfs/dbraw/zinc/51/04/10/1201510410.db2.gz NCWVFAXOQBDJMJ-CVEARBPZSA-N 0 3 371.445 0.551 20 30 FCEDHN C=CC[C@@H](C(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1)c1ccccc1 ZINC001130132902 1201513158 /nfs/dbraw/zinc/51/31/58/1201513158.db2.gz VRCURHINGMSXTN-KURKYZTESA-N 0 3 355.442 0.972 20 30 FCEDHN C=CCO[C@H](C)C(=O)N1C[C@@H](NCCOCC(C)C)[C@@H](n2ccnn2)C1 ZINC001130151571 1201517908 /nfs/dbraw/zinc/51/79/08/1201517908.db2.gz XPXHTQKCKGPGMZ-ZACQAIPSSA-N 0 3 365.478 0.883 20 30 FCEDHN C=CCO[C@@H](C)C(=O)N1C[C@@H](NCCOCC(C)C)[C@@H](n2ccnn2)C1 ZINC001130151570 1201518042 /nfs/dbraw/zinc/51/80/42/1201518042.db2.gz XPXHTQKCKGPGMZ-BBWFWOEESA-N 0 3 365.478 0.883 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccnc2)[n-]1 ZINC001130177734 1201521758 /nfs/dbraw/zinc/52/17/58/1201521758.db2.gz RISJIZFXKBELGP-GJZGRUSLSA-N 0 3 354.414 0.615 20 30 FCEDHN COCC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=C(C)C)[n-]1 ZINC001130181730 1201525149 /nfs/dbraw/zinc/52/51/49/1201525149.db2.gz SLTXXDATJDFPGE-GJZGRUSLSA-N 0 3 361.446 0.499 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)COC2CCCC2)[n-]1 ZINC001130186467 1201527424 /nfs/dbraw/zinc/52/74/24/1201527424.db2.gz DNRGBAMZQQZQGW-GJZGRUSLSA-N 0 3 361.446 0.475 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc[nH]c2C)[n-]1 ZINC001130196276 1201533942 /nfs/dbraw/zinc/53/39/42/1201533942.db2.gz ZZAZMXQKZGRSPQ-GJZGRUSLSA-N 0 3 356.430 0.857 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCC(C)=O)[n-]1 ZINC001130182975 1201536024 /nfs/dbraw/zinc/53/60/24/1201536024.db2.gz JNODYCMNEQDTHZ-GJZGRUSLSA-N 0 3 361.446 0.666 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2ccon2)[n-]1 ZINC001130203292 1201539310 /nfs/dbraw/zinc/53/93/10/1201539310.db2.gz XHJLDPIMNFNNQZ-KBPBESRZSA-N 0 3 358.402 0.137 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2nn(C)cc2C)[n-]1 ZINC001130207878 1201543285 /nfs/dbraw/zinc/54/32/85/1201543285.db2.gz UCWIRNSTXFOTMQ-KBPBESRZSA-N 0 3 371.445 0.262 20 30 FCEDHN O=C(C#CC1CC1)NCc1nnc([C@H]2CCO[C@H]2CNCc2ccon2)[nH]1 ZINC001130212900 1201545351 /nfs/dbraw/zinc/54/53/51/1201545351.db2.gz JWKDPHCGYNBYFK-GJZGRUSLSA-N 0 3 370.413 0.485 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2n[nH]c3c2CCC3)[n-]1 ZINC001130220838 1201550865 /nfs/dbraw/zinc/55/08/65/1201550865.db2.gz NUGSEWNDQNWTDU-JSGCOSHPSA-N 0 3 369.429 0.042 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CC(C)C)OC)[n-]1 ZINC001130232501 1201558392 /nfs/dbraw/zinc/55/83/92/1201558392.db2.gz IYYHCYAFNQEBAT-ZNMIVQPWSA-N 0 3 363.462 0.577 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2nc(C)c[nH]2)[n-]1 ZINC001130242415 1201562364 /nfs/dbraw/zinc/56/23/64/1201562364.db2.gz WEWCXXQIPXHEJU-STQMWFEESA-N 0 3 357.418 0.252 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnn(CCC)c2)[n-]1 ZINC001130242231 1201562575 /nfs/dbraw/zinc/56/25/75/1201562575.db2.gz MYZFZYVLDXISCK-GJZGRUSLSA-N 0 3 371.445 0.437 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@]2(C)CCOC2)[n-]1 ZINC001130244341 1201563476 /nfs/dbraw/zinc/56/34/76/1201563476.db2.gz HQAFHSAMCLXJFP-DEYYWGMASA-N 0 3 361.446 0.333 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)nc(C)n2)[n-]1 ZINC001130246152 1201566318 /nfs/dbraw/zinc/56/63/18/1201566318.db2.gz FPNKKVYXRHMCFJ-ZFWWWQNUSA-N 0 3 369.429 0.237 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H]1c1cn(C)cn1 ZINC001130612017 1202730783 /nfs/dbraw/zinc/73/07/83/1202730783.db2.gz NZTOSJKCIQTXMB-ZXFNITATSA-N 0 3 352.442 0.854 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](C)NC(=O)C2CCC2)C[C@H]1c1cn(C)cn1 ZINC001130739714 1202770977 /nfs/dbraw/zinc/77/09/77/1202770977.db2.gz LKAGSYXFLXWEMB-UKPHBRMFSA-N 0 3 359.474 0.795 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCc3ccncc3)n[n-]2)O1 ZINC001130792449 1202799818 /nfs/dbraw/zinc/79/98/18/1202799818.db2.gz FJJUVFLVNKJMLQ-JKSUJKDBSA-N 0 3 368.441 0.892 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccn(CC)n3)n[n-]2)O1 ZINC001130809128 1202802237 /nfs/dbraw/zinc/80/22/37/1202802237.db2.gz IFPIVVYMKFQAKS-GXTWGEPZSA-N 0 3 357.418 0.394 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3ccn(CC)n3)n2)O1 ZINC001130809128 1202802240 /nfs/dbraw/zinc/80/22/40/1202802240.db2.gz IFPIVVYMKFQAKS-GXTWGEPZSA-N 0 3 357.418 0.394 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)CCCOC)n[n-]2)O1 ZINC001130816438 1202807450 /nfs/dbraw/zinc/80/74/50/1202807450.db2.gz WYVXOGQITFJEIA-QLFBSQMISA-N 0 3 363.462 0.927 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@H](C)CCCOC)n2)O1 ZINC001130816438 1202807453 /nfs/dbraw/zinc/80/74/53/1202807453.db2.gz WYVXOGQITFJEIA-QLFBSQMISA-N 0 3 363.462 0.927 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)CCOC)n[n-]2)O1 ZINC001130817185 1202807710 /nfs/dbraw/zinc/80/77/10/1202807710.db2.gz DTJSYWDBVXVTJN-SOUVJXGZSA-N 0 3 363.462 0.927 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@@H](C)CCOC)n2)O1 ZINC001130817185 1202807711 /nfs/dbraw/zinc/80/77/11/1202807711.db2.gz DTJSYWDBVXVTJN-SOUVJXGZSA-N 0 3 363.462 0.927 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cn(CC)cn3)n[n-]2)O1 ZINC001130817788 1202808464 /nfs/dbraw/zinc/80/84/64/1202808464.db2.gz ZUCWBVBKTUERRJ-GXTWGEPZSA-N 0 3 357.418 0.394 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cn(CC)cn3)n2)O1 ZINC001130817788 1202808466 /nfs/dbraw/zinc/80/84/66/1202808466.db2.gz ZUCWBVBKTUERRJ-GXTWGEPZSA-N 0 3 357.418 0.394 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H](C)c2ccnn2C)C[C@H]1c1cncn1C ZINC001130991377 1202838236 /nfs/dbraw/zinc/83/82/36/1202838236.db2.gz GLYNPSYBAAHJJO-ARFHVFGLSA-N 0 3 354.458 0.865 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)CN(C)C(=O)C2CC2)C[C@H]1c1cncn1C ZINC001131003545 1202840941 /nfs/dbraw/zinc/84/09/41/1202840941.db2.gz JIXQVKMHIULSEE-HZPDHXFCSA-N 0 3 357.458 0.196 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2cn(C(C)(C)C)nn2)C[C@H]1c1cncn1C ZINC001131005907 1202841249 /nfs/dbraw/zinc/84/12/49/1202841249.db2.gz BIQQGACTKDIXMG-HUUCEWRRSA-N 0 3 369.473 0.988 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)COCc2cc(C)on2)C[C@H]1c1cncn1C ZINC001131017636 1202843358 /nfs/dbraw/zinc/84/33/58/1202843358.db2.gz DUNXFLPWQHXICC-HZPDHXFCSA-N 0 3 357.414 0.451 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@H]2CCc3nccn3C2)C[C@H]1c1cncn1C 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CC#CCN[C@@H]1CN(C(=O)c2cncc(C(N)=O)c2)C[C@H]1c1cncn1C ZINC001131125532 1202866475 /nfs/dbraw/zinc/86/64/75/1202866475.db2.gz FJKGOXFGTVPJKB-HZPDHXFCSA-N 0 3 366.425 0.135 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCN(C(C)=O)C2)C[C@H]1c1cncn1C ZINC001131115237 1202867141 /nfs/dbraw/zinc/86/71/41/1202867141.db2.gz FUZQDKUPNBSNCS-BRWVUGGUSA-N 0 3 357.458 0.196 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@H](CC(C)C)C(N)=O)C[C@H]1c1cncn1C ZINC001131136348 1202871121 /nfs/dbraw/zinc/87/11/21/1202871121.db2.gz IXZGHHLCQJINPQ-BZUAXINKSA-N 0 3 359.474 0.475 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)CC[C@]2(C)CCC(=O)N2)C[C@H]1c1cncn1C ZINC001131136435 1202871279 /nfs/dbraw/zinc/87/12/79/1202871279.db2.gz NCPBTMSOKGNHLH-CLCXKQKWSA-N 0 3 357.458 0.386 20 30 FCEDHN C#CCCN1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001131318713 1202886524 /nfs/dbraw/zinc/88/65/24/1202886524.db2.gz MKVZWQBRSBDLOJ-ZACQAIPSSA-N 0 3 362.474 0.456 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccoc2)CC1 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C[C@@]12CN(Cc3ccc(C#N)cc3)C[C@@H]1CN(C(=O)Cn1cnnn1)C2 ZINC001091468082 1204685429 /nfs/dbraw/zinc/68/54/29/1204685429.db2.gz HGOUTRMSUKNADS-AEFFLSMTSA-N 0 3 351.414 0.525 20 30 FCEDHN C[C@@H](C#N)C(=O)N1C[C@H]2CN(CCc3nnn(C(C)(C)C)n3)C[C@@]2(C)C1 ZINC001091544961 1204708996 /nfs/dbraw/zinc/70/89/96/1204708996.db2.gz JEZCJXWDEKKCGA-IYOUNJFTSA-N 0 3 359.478 0.911 20 30 FCEDHN CCO[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1CNc1nccnc1C#N ZINC001091667128 1204812910 /nfs/dbraw/zinc/81/29/10/1204812910.db2.gz IEZYUSCIQRWZGY-GDBMZVCRSA-N 0 3 360.462 0.965 20 30 FCEDHN Cn1cc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2NCc2ccnn2C)cn1 ZINC001086978566 1204876767 /nfs/dbraw/zinc/87/67/67/1204876767.db2.gz DGUJRXNBWHVCHJ-ZWKOTPCHSA-N 0 3 352.442 0.651 20 30 FCEDHN Cn1cc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2NCc2cncn2C)cn1 ZINC001086978946 1204877302 /nfs/dbraw/zinc/87/73/02/1204877302.db2.gz ZXGZTBZKHVRZLF-ZWKOTPCHSA-N 0 3 352.442 0.651 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)CC)C2)C[C@H]1c1cnn(C)c1 ZINC001086979721 1204877644 /nfs/dbraw/zinc/87/76/44/1204877644.db2.gz OISZORPFGPANTR-BPQIPLTHSA-N 0 3 371.485 0.586 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cccc3[nH]c(=O)[nH]c32)C[C@H]1c1cnn(C)c1 ZINC001086982579 1204877976 /nfs/dbraw/zinc/87/79/76/1204877976.db2.gz RDQXJBCNTQWDDE-GOEBONIOSA-N 0 3 364.409 0.833 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@H]2CCCc3nccn32)C[C@H]1c1cnn(C)c1 ZINC001086982531 1204878016 /nfs/dbraw/zinc/87/80/16/1204878016.db2.gz OJPWRQSQFOODBP-GVDBMIGSSA-N 0 3 352.442 0.711 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@H]2CCCn3nccc32)C[C@H]1c1cnn(C)c1 ZINC001086984971 1204879388 /nfs/dbraw/zinc/87/93/88/1204879388.db2.gz MOXVVIDPIDGSLC-YESZJQIVSA-N 0 3 352.442 0.711 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2ccnc3[nH]c(C)nc32)C[C@H]1c1cnn(C)c1 ZINC001086988706 1204881866 /nfs/dbraw/zinc/88/18/66/1204881866.db2.gz MQSMYKLBVMRTCC-JKSUJKDBSA-N 0 3 363.425 0.831 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@H]2CCc3nncn3CC2)C[C@H]1c1cnn(C)c1 ZINC001086988192 1204881961 /nfs/dbraw/zinc/88/19/61/1204881961.db2.gz 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C#CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1N[C@@H](C)c1n[nH]c(CC)n1 ZINC001225789553 1225823958 /nfs/dbraw/zinc/82/39/58/1225823958.db2.gz TWNDYHPFBSJMTL-BFHYXJOUSA-N 0 3 360.462 0.585 20 30 FCEDHN C#CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1N[C@H](C)c1n[nH]c(CC)n1 ZINC001225789555 1225824196 /nfs/dbraw/zinc/82/41/96/1225824196.db2.gz TWNDYHPFBSJMTL-MGPQQGTHSA-N 0 3 360.462 0.585 20 30 FCEDHN C#CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N[C@@H](C)C1CC1 ZINC001225795489 1225824676 /nfs/dbraw/zinc/82/46/76/1225824676.db2.gz GSZPVLFFHMBENY-NUEKZKHPSA-N 0 3 362.474 0.058 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](OC)C1CC1 ZINC001225994442 1225830194 /nfs/dbraw/zinc/83/01/94/1225830194.db2.gz KLSBFOMKBCNIQG-FMKPAKJESA-N 0 3 366.462 0.440 20 30 FCEDHN C#CCOCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC[C@H]1CCCO1 ZINC001226178226 1225835096 /nfs/dbraw/zinc/83/50/96/1225835096.db2.gz IFKXXVQHPRUFGR-BRWVUGGUSA-N 0 3 365.474 0.339 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NCCC ZINC001226186993 1225835413 /nfs/dbraw/zinc/83/54/13/1225835413.db2.gz GEXIWPVPKKZNKY-RBSFLKMASA-N 0 3 366.462 0.278 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCc1ccco1 ZINC001226187221 1225835442 /nfs/dbraw/zinc/83/54/42/1225835442.db2.gz ITXGPXATYUHOBD-DJIMGWMZSA-N 0 3 361.442 0.951 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccnn1C1CCC1 ZINC001226304816 1225839598 /nfs/dbraw/zinc/83/95/98/1225839598.db2.gz ZTVGHVQRTUAQRO-HZPDHXFCSA-N 0 3 357.458 0.988 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccnn1C1CCC1 ZINC001226303636 1225839639 /nfs/dbraw/zinc/83/96/39/1225839639.db2.gz FFNOFYCLGIYBSV-HUUCEWRRSA-N 0 3 358.446 0.878 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn(C(C)(C)C)nn1 ZINC001226666490 1225850805 /nfs/dbraw/zinc/85/08/05/1225850805.db2.gz OPQPHIVUHDENJN-ZIAGYGMSSA-N 0 3 362.478 0.966 20 30 FCEDHN C#CCN1CCC(C(=O)NC[C@@H]2CN(c3ccc(C#N)nn3)C[C@H]2C)CC1 ZINC001052925403 1218868091 /nfs/dbraw/zinc/86/80/91/1218868091.db2.gz PFRDSCPYNOAAPE-NVXWUHKLSA-N 0 3 366.469 0.882 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn(C)c(C)cc1=O ZINC001226933075 1225857965 /nfs/dbraw/zinc/85/79/65/1225857965.db2.gz YIKAFWNWDIKILP-HZPDHXFCSA-N 0 3 360.458 0.627 20 30 FCEDHN C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001226965292 1225859374 /nfs/dbraw/zinc/85/93/74/1225859374.db2.gz UPFLDFUEEZONAV-ZIAGYGMSSA-N 0 3 371.441 0.440 20 30 FCEDHN C=CCN1CC[C@]2(CCCN(Cc3cn(C)c(=O)n(C)c3=O)CC2)C1=O ZINC001277177909 1225862242 /nfs/dbraw/zinc/86/22/42/1225862242.db2.gz JOTINBMHBICPKN-LJQANCHMSA-N 0 3 360.458 0.475 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc2nc[nH]c2n1 ZINC001227019696 1225861322 /nfs/dbraw/zinc/86/13/22/1225861322.db2.gz YGLZIEBJCHOWSI-VXGBXAGGSA-N 0 3 355.402 0.228 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000804047708 1219100717 /nfs/dbraw/zinc/10/07/17/1219100717.db2.gz FBFXXFOEKQNACS-ZDUSSCGKSA-N 0 3 368.478 0.782 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)[C@H]2CCCCN(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001070075130 1219142997 /nfs/dbraw/zinc/14/29/97/1219142997.db2.gz SAQKXTMRKBGNQS-OAGGEKHMSA-N 0 3 360.462 0.454 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H]2CCCN2C(C)=O)[C@@H](n2ccnn2)C1 ZINC001070079628 1219149418 /nfs/dbraw/zinc/14/94/18/1219149418.db2.gz JULSGKXOEUHVMV-IKGGRYGDSA-N 0 3 360.462 0.597 20 30 FCEDHN C#CCN1C[C@@H](NC(=O)c2ccccc2CN(C)C)[C@@H](n2ccnn2)C1 ZINC001070102589 1219177409 /nfs/dbraw/zinc/17/74/09/1219177409.db2.gz RXHDTFKAVTYPJR-MSOLQXFVSA-N 0 3 352.442 0.628 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H]2CCc3nncn3C2)[C@@H](n2ccnn2)C1 ZINC001070102594 1219177456 /nfs/dbraw/zinc/17/74/56/1219177456.db2.gz SAGAYIFQZGDZLO-XHSDSOJGSA-N 0 3 370.461 0.440 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CCCC[C@H]1NC(=O)c1cn(C)ccc1=O ZINC001227419329 1225873709 /nfs/dbraw/zinc/87/37/09/1225873709.db2.gz QOJZXJFPGNJKNL-NUEKZKHPSA-N 0 3 358.442 0.154 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)c(OC)co1 ZINC001227484029 1225877172 /nfs/dbraw/zinc/87/71/72/1225877172.db2.gz ZDWSUXJCWQOREQ-CHWSQXEVSA-N 0 3 363.414 0.581 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cnc(OC(C)C)cn2)C[C@@H]1n1ccnn1 ZINC001070194530 1219286660 /nfs/dbraw/zinc/28/66/60/1219286660.db2.gz AIXFQFWZAWGXSB-CABCVRRESA-N 0 3 357.418 0.697 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CCc2c(C)nc(=O)[nH]c2C)C[C@@H]1n1ccnn1 ZINC001070207668 1219293556 /nfs/dbraw/zinc/29/35/56/1219293556.db2.gz IRCRQBBOWUFHRD-CVEARBPZSA-N 0 3 371.445 0.551 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cnn(-c3cccnc3)c2)C[C@@H]1n1ccnn1 ZINC001070207740 1219294250 /nfs/dbraw/zinc/29/42/50/1219294250.db2.gz LQRNOEFPVJHENT-SJORKVTESA-N 0 3 364.413 0.700 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2CCCN2c2ncccn2)C[C@@H]1n1ccnn1 ZINC001070212626 1219296670 /nfs/dbraw/zinc/29/66/70/1219296670.db2.gz LKLQGUPJLUURAJ-OAGGEKHMSA-N 0 3 368.445 0.265 20 30 FCEDHN C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@@H]1n1ccnn1 ZINC001070214304 1219297466 /nfs/dbraw/zinc/29/74/66/1219297466.db2.gz PTOMIPYKCXAMLM-CABCVRRESA-N 0 3 369.429 0.883 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2csc(-c3ncc[nH]3)n2)C[C@@H]1n1ccnn1 ZINC001070237966 1219312455 /nfs/dbraw/zinc/31/24/55/1219312455.db2.gz WFCNMJJUCZUPRG-YPMHNXCESA-N 0 3 370.442 0.966 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cc2cccc(OCC)n2)C[C@@H]1n1ccnn1 ZINC001070239634 1219312875 /nfs/dbraw/zinc/31/28/75/1219312875.db2.gz ZUNQSSUNZMIBQN-CVEARBPZSA-N 0 3 356.430 0.842 20 30 FCEDHN C=C1CC(C)(C(=O)N2C[C@@H](NCCn3cncn3)[C@@H](n3ccnn3)C2)C1 ZINC001070271221 1219340042 /nfs/dbraw/zinc/34/00/42/1219340042.db2.gz HXQRUIBROHPXSG-CABCVRRESA-N 0 3 356.434 0.268 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2CCn3c(C)ncc3C2)C[C@@H]1n1ccnn1 ZINC001070275549 1219342353 /nfs/dbraw/zinc/34/23/53/1219342353.db2.gz RYVIFIJDZACVRF-UAGQMJEPSA-N 0 3 355.446 0.573 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cc(C)nc3c2cnn3C)C[C@@H]1n1ccnn1 ZINC001070303465 1219362618 /nfs/dbraw/zinc/36/26/18/1219362618.db2.gz XZFNCNXTIMHZRX-CVEARBPZSA-N 0 3 366.429 0.710 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cc(C)nc3cc(C)nn32)C[C@@H]1n1ccnn1 ZINC001070329507 1219380660 /nfs/dbraw/zinc/38/06/60/1219380660.db2.gz SRRFLDCHRSFKRC-ZBFHGGJFSA-N 0 3 366.429 0.779 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2n[nH]nc2-c2ccccc2)C[C@@H]1n1ccnn1 ZINC001070334969 1219384701 /nfs/dbraw/zinc/38/47/01/1219384701.db2.gz YIWBOTJEXLRVRA-CABCVRRESA-N 0 3 364.413 0.905 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cnccn2)CC1 ZINC001070364621 1219397486 /nfs/dbraw/zinc/39/74/86/1219397486.db2.gz SBZJLQNYXVVJRD-QAPCUYQASA-N 0 3 355.442 0.589 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cn(C)nc2C)CC1 ZINC001070366754 1219398898 /nfs/dbraw/zinc/39/88/98/1219398898.db2.gz LVBMEFYCIBHXBG-MJGOQNOKSA-N 0 3 371.485 0.841 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001070372042 1219401924 /nfs/dbraw/zinc/40/19/24/1219401924.db2.gz TYKRAYBWFRLLFV-WQDJSCAQSA-N 0 3 359.470 0.522 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CCC(=O)NC2)CC1 ZINC001070373984 1219402966 /nfs/dbraw/zinc/40/29/66/1219402966.db2.gz MSWWMVYNSKICLJ-RKVPGOIHSA-N 0 3 362.474 0.174 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2c(C)cnn2C)CC1 ZINC001070376019 1219404405 /nfs/dbraw/zinc/40/44/05/1219404405.db2.gz DZMUGTIHYRKJAV-AEFFLSMTSA-N 0 3 371.485 0.841 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cn2ccc(C)n2)CC1 ZINC001070378167 1219404938 /nfs/dbraw/zinc/40/49/38/1219404938.db2.gz BTHVTPFTRYEDJW-APWZRJJASA-N 0 3 359.474 0.853 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cccnn2)CC1 ZINC001070381741 1219407250 /nfs/dbraw/zinc/40/72/50/1219407250.db2.gz SLLQLWIGQUPUQR-QAPCUYQASA-N 0 3 355.442 0.589 20 30 FCEDHN C=C(C)CN1CC[C@H](Oc2cnccc2CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001070387343 1219408251 /nfs/dbraw/zinc/40/82/51/1219408251.db2.gz JRFOZOBRIQNDLR-XHSDSOJGSA-N 0 3 358.442 0.848 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H](C)N2C(=O)CCC2=O)C[C@H]1c1cn(C)cn1 ZINC001070497855 1219439808 /nfs/dbraw/zinc/43/98/08/1219439808.db2.gz PGUPLLZKXRFIQT-KCQAQPDRSA-N 0 3 359.430 0.028 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cnc3n2CCOC3)C[C@H]1c1cn(C)cn1 ZINC001070503989 1219442353 /nfs/dbraw/zinc/44/23/53/1219442353.db2.gz WRKFAQOTQTUITO-DZGCQCFKSA-N 0 3 356.430 0.531 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@H]2CCc3nc(C)[nH]c3C2)C[C@H]1c1cn(C)cn1 ZINC001070506749 1219444124 /nfs/dbraw/zinc/44/41/24/1219444124.db2.gz PMDQKDHPXCVHKN-YZVOILCLSA-N 0 3 366.469 0.774 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cc(=O)c(OC)c[nH]2)C[C@H]1c1cn(C)cn1 ZINC001070513275 1219447839 /nfs/dbraw/zinc/44/78/39/1219447839.db2.gz DVUZAPRTHFICRJ-SWLSCSKDSA-N 0 3 357.414 0.501 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1c1cn(C)cn1 ZINC001070516785 1219449404 /nfs/dbraw/zinc/44/94/04/1219449404.db2.gz NDJPBJIVXZKHFZ-OLEVXBPZSA-N 0 3 360.458 0.542 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cccn3c(=O)[nH]nc23)C[C@H]1c1cn(C)cn1 ZINC001070553845 1219467004 /nfs/dbraw/zinc/46/70/04/1219467004.db2.gz 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ZINC001215123682 1223976030 /nfs/dbraw/zinc/97/60/30/1223976030.db2.gz DHFLXQSXWPBNHP-ZRGWGRIASA-N 0 3 369.465 0.947 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccn3ccnc3c2)C[C@H]1C ZINC001215132928 1223976354 /nfs/dbraw/zinc/97/63/54/1223976354.db2.gz TVMJCEWQVBVRQF-IJEWVQPXSA-N 0 3 353.426 0.522 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)C2([C@H]3CCCCO3)CCC2)C[C@H]1C ZINC001215128467 1223976385 /nfs/dbraw/zinc/97/63/85/1223976385.db2.gz MJESBCPNYNZKOI-BRWVUGGUSA-N 0 3 361.486 0.912 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)CCc2cccc(OC)c2)C[C@H]1C ZINC001215128899 1223976457 /nfs/dbraw/zinc/97/64/57/1223976457.db2.gz ZJESLHXYAPVFLY-CRAIPNDOSA-N 0 3 357.454 0.814 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cc(=O)c(OC)co2)C[C@H]1C ZINC001215144332 1223977802 /nfs/dbraw/zinc/97/78/02/1223977802.db2.gz OVQHHQWKMBFOIP-FRRDWIJNSA-N 0 3 363.414 0.389 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cc(=O)c(OC)c[nH]2)C[C@H]1C ZINC001215150437 1223978491 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C[C@@H]1CN(C(=O)c2nccc3ccccc32)C[C@H]1NCC(=O)NCC#N ZINC001215412682 1223998146 /nfs/dbraw/zinc/99/81/46/1223998146.db2.gz TZTREUJJLRFGPI-CZUORRHYSA-N 0 3 351.410 0.925 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cccc(-c3ncon3)c2)C[C@H]1C ZINC001215523119 1224003954 /nfs/dbraw/zinc/00/39/54/1224003954.db2.gz BRBNBQJSWNMUJB-CZUORRHYSA-N 0 3 367.409 0.536 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2[nH]c(C)nc2C)C[C@H]1C ZINC001215575667 1224007008 /nfs/dbraw/zinc/00/70/08/1224007008.db2.gz WSAPWGNXMKFDEJ-ZWNOBZJWSA-N 0 3 362.434 0.088 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCc2ccco2)C1 ZINC001215594239 1224008241 /nfs/dbraw/zinc/00/82/41/1224008241.db2.gz FLEYWLZRYGGKMG-DZUCGIPZSA-N 0 3 361.442 0.923 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)OCc2ccncc2)C[C@H]1C ZINC001215598875 1224008657 /nfs/dbraw/zinc/00/86/57/1224008657.db2.gz KLQZJKLSMVAXGF-BFYDXBDKSA-N 0 3 358.442 0.173 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2nn(C)c3c2CCCC3)C[C@H]1C ZINC001215605635 1224009427 /nfs/dbraw/zinc/00/94/27/1224009427.db2.gz QDESUYGQXRSDNL-IJEWVQPXSA-N 0 3 371.485 0.487 20 30 FCEDHN C[C@@H]1CN(C(=O)c2c[nH]c(-c3ccccc3)n2)C[C@H]1NCC(=O)NCC#N ZINC001215693239 1224012454 /nfs/dbraw/zinc/01/24/54/1224012454.db2.gz CKALEKVFGXBJGA-CZUORRHYSA-N 0 3 366.425 0.767 20 30 FCEDHN C[C@@H](OCc1ccccc1)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1 ZINC001215696847 1224013219 /nfs/dbraw/zinc/01/32/19/1224013219.db2.gz LBQIRFIJBRUHRM-BFYDXBDKSA-N 0 3 358.442 0.668 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)OCc2ccccc2)C[C@H]1C ZINC001215696636 1224013428 /nfs/dbraw/zinc/01/34/28/1224013428.db2.gz GXYCVWNWDJQTAA-JFIYKMOQSA-N 0 3 357.454 0.778 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2Cc3cc(F)ccc3O2)C[C@H]1C ZINC001215728536 1224013946 /nfs/dbraw/zinc/01/39/46/1224013946.db2.gz ODXISTIFIPDMLU-VMGRFDJRSA-N 0 3 359.401 0.315 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccnc(C3CC3)n2)C[C@H]1C ZINC001215743190 1224015409 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NFBROBDUMMAAHZ-XHBSWPGZSA-N 0 3 361.446 0.546 20 30 FCEDHN C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)N(C)C(C)C)C2)nn1 ZINC001215832449 1224019637 /nfs/dbraw/zinc/01/96/37/1224019637.db2.gz JWAMVDOFWDZMJC-RBSFLKMASA-N 0 3 362.478 0.770 20 30 FCEDHN C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N[C@@H](C)C(C)C)C2)nn1 ZINC001215833190 1224020173 /nfs/dbraw/zinc/02/01/73/1224020173.db2.gz YNFDNALMHPWCLB-QLFBSQMISA-N 0 3 362.478 0.675 20 30 FCEDHN C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)NCCCC)C2)nn1 ZINC001215832629 1224020184 /nfs/dbraw/zinc/02/01/84/1224020184.db2.gz MAAQKOOGXJFRJK-RBSFLKMASA-N 0 3 362.478 0.819 20 30 FCEDHN C[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2c2ccccc2)C[C@H]1NCC(=O)NCC#N ZINC001215865347 1224021192 /nfs/dbraw/zinc/02/11/92/1224021192.db2.gz MXUDXPFPQCULJM-KLICCBINSA-N 0 3 370.453 0.635 20 30 FCEDHN C=CCN1CC[C@H](N[C@@H]2CN(C(=O)C(C)(C)CNC(C)=O)C[C@H]2C)C1=O ZINC001215892141 1224022843 /nfs/dbraw/zinc/02/28/43/1224022843.db2.gz RLJGUSZTLILQCD-VNQPRFMTSA-N 0 3 364.490 0.372 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccc(C(N)=O)s2)C[C@H]1C ZINC001215903782 1224023330 /nfs/dbraw/zinc/02/33/30/1224023330.db2.gz CRJOPRDTXMDWFY-GRYCIOLGSA-N 0 3 362.455 0.035 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(-c3cn[nH]c3)cc2)C[C@H]1C ZINC001215907478 1224023814 /nfs/dbraw/zinc/02/38/14/1224023814.db2.gz AESZLYPVTHUGRA-RDTXWAMCSA-N 0 3 365.437 0.876 20 30 FCEDHN C[C@@H]1CN(C(=O)[C@H]2CCOc3ccccc32)C[C@H]1NCC(=O)NCC#N ZINC001215945198 1224026236 /nfs/dbraw/zinc/02/62/36/1224026236.db2.gz RKPBBNSHYGOLLS-VNQPRFMTSA-N 0 3 356.426 0.629 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccnc(NC(C)=O)c2)C[C@H]1C ZINC001215998792 1224029538 /nfs/dbraw/zinc/02/95/38/1224029538.db2.gz BVNSVUUNLQBJKW-DVOMOZLQSA-N 0 3 371.441 0.228 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc3[nH]c(C)nc3c2)C[C@H]1C ZINC001216082244 1224033635 /nfs/dbraw/zinc/03/36/35/1224033635.db2.gz XFRAIDDTIOFAOP-SJKOYZFVSA-N 0 3 353.426 0.671 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cn(CC3CC3)nn2)C[C@H]1C ZINC001216119082 1224035264 /nfs/dbraw/zinc/03/52/64/1224035264.db2.gz ZRCYPYGCYCTRRS-UMVBOHGHSA-N 0 3 360.462 0.429 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccn2)C[C@H]1C ZINC001216189473 1224038166 /nfs/dbraw/zinc/03/81/66/1224038166.db2.gz CXNJNUIJXVQBIV-BXUZGUMPSA-N 0 3 368.359 0.900 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ncccc2C(F)(F)F)C[C@H]1C ZINC001216190209 1224038720 /nfs/dbraw/zinc/03/87/20/1224038720.db2.gz POXRBNDNUGPVED-DGCLKSJQSA-N 0 3 368.359 0.900 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2c3ccccc3nn2C)C[C@H]1C ZINC001216200646 1224038756 /nfs/dbraw/zinc/03/87/56/1224038756.db2.gz DIIYZCWREJIPMB-CZUORRHYSA-N 0 3 355.442 0.926 20 30 FCEDHN C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)CC(=O)NCC3CC3)C[C@H]2C)C1=O ZINC001216295796 1224042670 /nfs/dbraw/zinc/04/26/70/1224042670.db2.gz YYBFPGIZSQBISO-FVQBIDKESA-N 0 3 362.474 0.126 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)CCCn2nc(C)nc2C)C[C@H]1C ZINC001216324601 1224044381 /nfs/dbraw/zinc/04/43/81/1224044381.db2.gz WNQGAJKODOJGHQ-CZUORRHYSA-N 0 3 362.478 0.414 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnn(C)c2C(F)F)C[C@H]1C ZINC001216340797 1224045471 /nfs/dbraw/zinc/04/54/71/1224045471.db2.gz ZTQDZNNTJRPZAI-NTZNESFSSA-N 0 3 367.400 0.546 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)cn2)C[C@H]1C ZINC001216362709 1224046311 /nfs/dbraw/zinc/04/63/11/1224046311.db2.gz ZRLRHGWOTYJISY-RHSMWYFYSA-N 0 3 366.425 0.067 20 30 FCEDHN C[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1NCC#Cc1ccccc1 ZINC001216370042 1224047084 /nfs/dbraw/zinc/04/70/84/1224047084.db2.gz HIROGLDWKVSQIG-NVXWUHKLSA-N 0 3 368.437 0.369 20 30 FCEDHN Cc1cccc2c1C[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1)O2 ZINC001216409486 1224049221 /nfs/dbraw/zinc/04/92/21/1224049221.db2.gz HYIVKSYDSIEQLS-FRFSOERESA-N 0 3 356.426 0.375 20 30 FCEDHN C=CCN1CC[C@H](N[C@@H]2CN(C(=O)CCCC(=O)N(C)C)C[C@H]2C)C1=O ZINC001216435874 1224050611 /nfs/dbraw/zinc/05/06/11/1224050611.db2.gz OULLHQAMTCBMIT-OWCLPIDISA-N 0 3 364.490 0.468 20 30 FCEDHN C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C[C@H]1C ZINC001216444515 1224051660 /nfs/dbraw/zinc/05/16/60/1224051660.db2.gz XRGBGJARVKLKNO-MLGOLLRUSA-N 0 3 357.410 0.823 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cc2ccc(OC)cc2)C[C@H]1C ZINC001216539832 1224054916 /nfs/dbraw/zinc/05/49/16/1224054916.db2.gz SGMXYKBMRFBESR-RVKKMQEKSA-N 0 3 357.454 0.812 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)c2cnn3cc[nH]c23)C[C@H]1C ZINC001216551539 1224055070 /nfs/dbraw/zinc/05/50/70/1224055070.db2.gz UFHMBBFGTZPPPA-UKRRQHHQSA-N 0 3 371.445 0.475 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(OC)cc2OC)C[C@H]1C ZINC001216547425 1224055446 /nfs/dbraw/zinc/05/54/46/1224055446.db2.gz AVLANZKUOJNRCZ-CZUORRHYSA-N 0 3 359.426 0.503 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc3ccccc3oc2=O)C[C@H]1C ZINC001216640786 1224059722 /nfs/dbraw/zinc/05/97/22/1224059722.db2.gz WMOICQJTERNGPX-CZUORRHYSA-N 0 3 367.405 0.593 20 30 FCEDHN 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ZINC001216789892 1224072075 /nfs/dbraw/zinc/07/20/75/1224072075.db2.gz TXQLMWWKIFHLHO-VNHYZAJKSA-N 0 3 369.425 0.858 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)Cc2c(C)n[nH]c2C)C[C@H]1C ZINC001216789972 1224072667 /nfs/dbraw/zinc/07/26/67/1224072667.db2.gz YDIUVVXMDMKYHC-OGHNNQOOSA-N 0 3 361.490 0.944 20 30 FCEDHN Cc1cc2c(cc1C)O[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1)C2 ZINC001216800691 1224073613 /nfs/dbraw/zinc/07/36/13/1224073613.db2.gz CNRHHHOTDPSCHI-QGPMSJSTSA-N 0 3 370.453 0.683 20 30 FCEDHN C[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1NCC(=O)N1CCOCC1 ZINC001216815350 1224074642 /nfs/dbraw/zinc/07/46/42/1224074642.db2.gz FCXIPZAXRDIZDU-IEBWSBKVSA-N 0 3 369.465 0.724 20 30 FCEDHN C[C@@H]1CN(C(=O)Cc2[nH]nc3ccccc32)C[C@H]1NCC(=O)NCC#N ZINC001216831952 1224076600 /nfs/dbraw/zinc/07/66/00/1224076600.db2.gz CZNAETXLUDEPIY-MLGOLLRUSA-N 0 3 354.414 0.182 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ccc(N(C)C)cn2)C[C@H]1C ZINC001216868961 1224080184 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NYJLHYSJIWHGDQ-HOTGVXAUSA-N 0 3 370.457 0.614 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)CC1 ZINC000938097249 1245819559 /nfs/dbraw/zinc/81/95/59/1245819559.db2.gz PNNXYWIJBZXIHW-CADBVGFASA-N 0 3 373.497 0.864 20 30 FCEDHN C#CCN1CCC(C(=O)NC[C@@H]2CN(C(=O)c3ncc[nH]3)C[C@H]2C)CC1 ZINC000994135602 1250213992 /nfs/dbraw/zinc/21/39/92/1250213992.db2.gz ITSPWFQWTSXNPO-GDBMZVCRSA-N 0 3 357.458 0.579 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC3(C)C)C[C@H]2OC)CC1 ZINC000942128765 1246993425 /nfs/dbraw/zinc/99/34/25/1246993425.db2.gz QUTFPIMOZVAGDF-GVDBMIGSSA-N 0 3 361.486 0.720 20 30 FCEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2OC)cn1 ZINC000944099955 1247473299 /nfs/dbraw/zinc/47/32/99/1247473299.db2.gz MSFQAUCESGYCLO-KZNAEPCWSA-N 0 3 370.453 0.359 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC000944784145 1247652936 /nfs/dbraw/zinc/65/29/36/1247652936.db2.gz WGDSLSDBJDGIMZ-BBWFWOEESA-N 0 3 365.474 0.405 20 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C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cccn2)CC1 ZINC000997357029 1251560258 /nfs/dbraw/zinc/56/02/58/1251560258.db2.gz IYCSXHKRUBAHBB-SQNIBIBYSA-N 0 3 369.469 0.476 20 30 FCEDHN CC(C)Cn1c(C2CCN(CCO)CC2)nnc1N1CCO[C@H](C#N)C1 ZINC001517161131 1265587740 /nfs/dbraw/zinc/58/77/40/1265587740.db2.gz KFSVCBHPKYTFOL-MRXNPFEDSA-N 0 3 362.478 0.835 20 30 FCEDHN C#CCN1CCC(C(=O)NCC2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001002475937 1252568275 /nfs/dbraw/zinc/56/82/75/1252568275.db2.gz CFEICPCIYIURBL-LFDJNIOPSA-N 0 3 371.481 0.330 20 30 FCEDHN C=CCN1CC[C@@H](N2CCC(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1=O ZINC001003137629 1252789608 /nfs/dbraw/zinc/78/96/08/1252789608.db2.gz KNBNDIPXICKOBF-DJIMGWMZSA-N 0 3 364.490 0.073 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cn(C)nn2)CC1 ZINC001003365885 1252875395 /nfs/dbraw/zinc/87/53/95/1252875395.db2.gz QYHBHHXHCQQFDO-INMHGKMJSA-N 0 3 370.457 0.022 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccncn2)CC1 ZINC001003364762 1252876438 /nfs/dbraw/zinc/87/64/38/1252876438.db2.gz DCOGZFUQZYJJBN-NXHRZFHOSA-N 0 3 367.453 0.684 20 30 FCEDHN C#CCOCCNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC001329098666 1265693020 /nfs/dbraw/zinc/69/30/20/1265693020.db2.gz IVNIYXKERRXSFP-UHFFFAOYSA-N 0 3 356.426 0.214 20 30 FCEDHN C#CCN1CCC(C(=O)NC2(CNC(=O)[C@]34C[C@H]3COC4)CCC2)CC1 ZINC001063304227 1254329973 /nfs/dbraw/zinc/32/99/73/1254329973.db2.gz OLGLFRLVOCTDNM-JXFKEZNVSA-N 0 3 359.470 0.523 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)CN(C)CCC)C1 ZINC001065207590 1254489567 /nfs/dbraw/zinc/48/95/67/1254489567.db2.gz UBJFIPOGCGALIV-BBWFWOEESA-N 0 3 367.490 0.653 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)CN(C)CCC)C1 ZINC001065207592 1254490315 /nfs/dbraw/zinc/49/03/15/1254490315.db2.gz UBJFIPOGCGALIV-ZACQAIPSSA-N 0 3 367.490 0.653 20 30 FCEDHN CC(C)(C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1O)c1cnc[nH]1 ZINC001078007218 1255163692 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N#CC1(C(=O)N2CC3(C2)CCCN(C[C@@H]2CCC(=O)N2)C3)CCOCC1 ZINC001278471920 1260696412 /nfs/dbraw/zinc/69/64/12/1260696412.db2.gz YSTHPYYQLJORBJ-HNNXBMFYSA-N 0 3 360.458 0.510 20 30 FCEDHN C[C@@H](CNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)N(C)Cc1ccccc1 ZINC001332214074 1266358351 /nfs/dbraw/zinc/35/83/51/1266358351.db2.gz CSOSFOZJLQVUHQ-KXBFYZLASA-N 0 3 358.442 0.500 20 30 FCEDHN C#CCOc1ccc(CN2C[C@H]3C[C@@]3(C(=O)Nc3nnnn3C)C2)cc1 ZINC001279961213 1260974877 /nfs/dbraw/zinc/97/48/77/1260974877.db2.gz FPOCBYOOHNWMAR-RDTXWAMCSA-N 0 3 352.398 0.683 20 30 FCEDHN C[C@H](CNC(=O)C(=O)NCC#Cc1ccccc1)CN1CCN(C)CC1 ZINC001345201684 1261650299 /nfs/dbraw/zinc/65/02/99/1261650299.db2.gz AJQDKIIZRUTJCR-QGZVFWFLSA-N 0 3 356.470 0.154 20 30 FCEDHN Cn1c(NC[C@@H]2CCCC[C@@H]2N2CCOCC2)c(C#N)c(=O)n(C)c1=O ZINC001307210034 1263196510 /nfs/dbraw/zinc/19/65/10/1263196510.db2.gz XRVURCUSJUUUKK-ZFWWWQNUSA-N 0 3 361.446 0.259 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCCc3[nH]c(=O)c(C(N)=O)cc32)CC1 ZINC001317977677 1263535470 /nfs/dbraw/zinc/53/54/70/1263535470.db2.gz IGMBOLPOWXYSSD-HNNXBMFYSA-N 0 3 356.426 0.725 20 30 FCEDHN C#CCNC(=O)C1CCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC001321258763 1263926604 /nfs/dbraw/zinc/92/66/04/1263926604.db2.gz UIVZMBDYUAYMPD-INIZCTEOSA-N 0 3 363.506 0.041 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NCc2cccc(C(=O)NCC)c2)CC1 ZINC001322799144 1264268307 /nfs/dbraw/zinc/26/83/07/1264268307.db2.gz XXBOAJSZHPMQPX-UHFFFAOYSA-N 0 3 372.469 0.819 20 30 FCEDHN C#CCSCCNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC001323788514 1264514270 /nfs/dbraw/zinc/51/42/70/1264514270.db2.gz SCCZVZGZLMFSMK-UHFFFAOYSA-N 0 3 372.494 0.931 20 30 FCEDHN CN1CCN(Cc2cccc(CNC(=O)Cn3cnc(C#N)n3)c2)CC1 ZINC001324087723 1264574461 /nfs/dbraw/zinc/57/44/61/1264574461.db2.gz LKRXFDXXIGWREJ-UHFFFAOYSA-N 0 3 353.430 0.214 20 30 FCEDHN Cc1cc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)n(CCC#N)n1 ZINC001324219991 1264599489 /nfs/dbraw/zinc/59/94/89/1264599489.db2.gz PIWQLTLSOJMXIZ-ZIAGYGMSSA-N 0 3 360.418 0.023 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NCc2ccc(OCC#N)cc2)CC1 ZINC001324409224 1264637393 /nfs/dbraw/zinc/63/73/93/1264637393.db2.gz ZJVLMOSAAXEBCI-UHFFFAOYSA-N 0 3 356.426 0.972 20 30 FCEDHN C#CCOCCNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001324877961 1264725093 /nfs/dbraw/zinc/72/50/93/1264725093.db2.gz JJSVVCGDNJLWKV-SFHVURJKSA-N 0 3 373.453 0.160 20 30 FCEDHN N#Cc1ccc(OC2CN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)C2)cc1 ZINC001325147160 1264788262 /nfs/dbraw/zinc/78/82/62/1264788262.db2.gz UAPMJNJCFAMVCW-MRXNPFEDSA-N 0 3 368.437 0.845 20 30 FCEDHN CN1CCN(CCCNC(=O)C(=O)NCCCC#N)[C@@H](c2ccccc2)C1 ZINC001325560182 1264928496 /nfs/dbraw/zinc/92/84/96/1264928496.db2.gz YULSERONBHZHKJ-GOSISDBHSA-N 0 3 371.485 0.901 20 30 FCEDHN COCCNC(=O)C(C#N)C(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC001523895735 1266665841 /nfs/dbraw/zinc/66/58/41/1266665841.db2.gz SAFMPTMGISIVGO-OLZOCXBDSA-N 0 3 350.396 0.419 20 30 FCEDHN N#Cc1ccc(CNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC001333986428 1266764772 /nfs/dbraw/zinc/76/47/72/1266764772.db2.gz FCMJGVPBQCAGNC-QGZVFWFLSA-N 0 3 356.426 0.544 20 30 FCEDHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)CC#N)n2C)CC1 ZINC001339037724 1268154546 /nfs/dbraw/zinc/15/45/46/1268154546.db2.gz YLXJBAWBWAFEAK-AWEZNQCLSA-N 0 3 359.478 0.749 20 30 FCEDHN CCN1CCN([C@H](C)CNC(=O)CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001339395935 1268228248 /nfs/dbraw/zinc/22/82/48/1268228248.db2.gz HKFOCWYEKNZRMO-MGPWXQLLSA-N 0 3 363.462 0.045 20 30 FCEDHN CCN1CCN([C@@H](C)CNC(=O)CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001339395932 1268229047 /nfs/dbraw/zinc/22/90/47/1268229047.db2.gz HKFOCWYEKNZRMO-DNZUHHBVSA-N 0 3 363.462 0.045 20 30 FCEDHN CCn1c(C2CCN(CCO)CC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001340215401 1268473343 /nfs/dbraw/zinc/47/33/43/1268473343.db2.gz AVQDJMVNGDPOLR-KRWDZBQOSA-N 0 3 373.505 0.646 20 30 FCEDHN C=CCn1c(-c2nnc(C3CC3)[nH]2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001340772640 1268651999 /nfs/dbraw/zinc/65/19/99/1268651999.db2.gz UNQIJRCVWFVIFR-CYBMUJFWSA-N 0 3 356.434 0.647 20 30 FCEDHN C=CCn1c(-c2n[nH]c(C3CC3)n2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001340772640 1268652007 /nfs/dbraw/zinc/65/20/07/1268652007.db2.gz UNQIJRCVWFVIFR-CYBMUJFWSA-N 0 3 356.434 0.647 20 30 FCEDHN C=CCn1c(-c2nc(C3CC3)n[nH]2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001340772640 1268652014 /nfs/dbraw/zinc/65/20/14/1268652014.db2.gz UNQIJRCVWFVIFR-CYBMUJFWSA-N 0 3 356.434 0.647 20 30 FCEDHN COCCn1c([C@H]2CCCN(C)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001341100054 1268784385 /nfs/dbraw/zinc/78/43/85/1268784385.db2.gz PXFBSKZCMUJRCR-DOTOQJQBSA-N 0 3 373.505 0.910 20 30 FCEDHN C=CCOCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC ZINC001341126144 1268795877 /nfs/dbraw/zinc/79/58/77/1268795877.db2.gz BTMJDMUSNJYLLE-OAHLLOKOSA-N 0 3 362.478 0.743 20 30 FCEDHN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC001341181675 1268840173 /nfs/dbraw/zinc/84/01/73/1268840173.db2.gz KHCFRLJCQLPYQF-BQFCYCMXSA-N 0 3 368.437 0.641 20 30 FCEDHN C=CCCC[C@H](N)C(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC001341697452 1269156447 /nfs/dbraw/zinc/15/64/47/1269156447.db2.gz QCUBGCWDWZRBMA-KRWDZBQOSA-N 0 3 369.473 0.990 20 30 FCEDHN CCc1nc(CC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)cs1 ZINC001341786137 1269204983 /nfs/dbraw/zinc/20/49/83/1269204983.db2.gz FMNMVIIQIMIOPU-LLVKDONJSA-N 0 3 355.441 0.214 20 30 FCEDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC001342807639 1269618603 /nfs/dbraw/zinc/61/86/03/1269618603.db2.gz ODLHAPBGKGCNFP-HNNXBMFYSA-N 0 3 373.457 0.670 20 30 FCEDHN C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H](CC)N(C)C)nn1 ZINC001344104062 1270096386 /nfs/dbraw/zinc/09/63/86/1270096386.db2.gz KYMFTLSOLJEGSM-FMKPAKJESA-N 0 3 362.478 0.962 20 30 FCEDHN C#CCN(C(=O)[C@@H]1CCOC[C@@H]1C)C1CCN(CCc2cn[nH]n2)CC1 ZINC001574895646 1271656718 /nfs/dbraw/zinc/65/67/18/1271656718.db2.gz XLCPIBRIWRWRON-MAUKXSAKSA-N 0 3 359.474 0.946 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)CCCc2cnn[nH]2)C1 ZINC001574986225 1271688464 /nfs/dbraw/zinc/68/84/64/1271688464.db2.gz WLMYCVVWLHOXBG-IRXDYDNUSA-N 0 3 372.473 0.332 20 30 FCEDHN C=CCCN1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCN1Cc1c[nH]nn1)O2 ZINC001575097589 1271717595 /nfs/dbraw/zinc/71/75/95/1271717595.db2.gz LTZGLEORYIYZRG-SJORKVTESA-N 0 3 374.489 0.695 20 30 FCEDHN C=CCNC(=O)CN1CCC[C@@H]([C@@H](C)NC(=O)CCCc2cn[nH]n2)C1 ZINC001575104298 1271722407 /nfs/dbraw/zinc/72/24/07/1271722407.db2.gz OYELEZRDZTXOOB-HUUCEWRRSA-N 0 3 362.478 0.646 20 30 FCEDHN C=CCNC(=O)CN1CCC[C@@H]([C@@H](C)NC(=O)CCCc2c[nH]nn2)C1 ZINC001575104298 1271722413 /nfs/dbraw/zinc/72/24/13/1271722413.db2.gz OYELEZRDZTXOOB-HUUCEWRRSA-N 0 3 362.478 0.646 20 30 FCEDHN C=CCn1cc(C(=O)N2CCC(CCN(C)Cc3c[nH]nn3)CC2)nn1 ZINC001575111602 1271723068 /nfs/dbraw/zinc/72/30/68/1271723068.db2.gz HYSKIVGXJWNLJK-UHFFFAOYSA-N 0 3 358.450 0.957 20 30 FCEDHN CC#CCN1CCC(N(Cc2cn[nH]n2)C(=O)c2ccc(=O)n(C)n2)CC1 ZINC001575123192 1271734114 /nfs/dbraw/zinc/73/41/14/1271734114.db2.gz PDMHTWRBCNEKKU-UHFFFAOYSA-N 0 3 369.429 0.029 20 30 FCEDHN CC#CCN1CCC(N(Cc2cn[nH]n2)C(=O)[C@H]2C[C@H]2C(=O)OC)CC1 ZINC001575123158 1271734223 /nfs/dbraw/zinc/73/42/23/1271734223.db2.gz OGJFYXITGLYOET-JKSUJKDBSA-N 0 3 359.430 0.430 20 30 FCEDHN C[C@@H](OCc1cn[nH]n1)C(=O)N1CC[C@@H](NCC#Cc2ccccc2)C1 ZINC001575740739 1272410450 /nfs/dbraw/zinc/41/04/50/1272410450.db2.gz GASHHAXGPXIKLJ-NVXWUHKLSA-N 0 3 353.426 0.952 20 30 FCEDHN CC[C@@H](C(N)=O)N1CCC(N(Cc2c[nH]nn2)C(=O)C#CC(C)C)CC1 ZINC001576184765 1272980511 /nfs/dbraw/zinc/98/05/11/1272980511.db2.gz NQUXZUNVXKMRGT-INIZCTEOSA-N 0 3 360.462 0.521 20 30 FCEDHN O=C(CC#Cc1ccccc1)N1CCC(O)(CNCc2cn[nH]n2)CC1 ZINC001577766651 1274850283 /nfs/dbraw/zinc/85/02/83/1274850283.db2.gz XDZZEBQIJZIFEG-UHFFFAOYSA-N 0 3 353.426 0.690 20 30 FCEDHN O=C(CC#Cc1ccccc1)N1CCC(O)(CNCc2c[nH]nn2)CC1 ZINC001577766651 1274850291 /nfs/dbraw/zinc/85/02/91/1274850291.db2.gz XDZZEBQIJZIFEG-UHFFFAOYSA-N 0 3 353.426 0.690 20 30 FCEDHN CCOC(=O)CON=C(C(=O)N1[C@H](C)CN[C@@H](C)[C@@H]1C)c1ccn[nH]1 ZINC001577954513 1275175939 /nfs/dbraw/zinc/17/59/39/1275175939.db2.gz OUHDQXYBPJJZPG-WOPDTQHZSA-N 0 3 351.407 0.291 20 30 FCEDHN COC(=O)CCN(CC(OC)OC)C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC001578805246 1276296104 /nfs/dbraw/zinc/29/61/04/1276296104.db2.gz SISUEOKFIUUYLS-JZLYGMAVSA-N 0 3 353.419 0.136 20 30 FCEDHN CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C#CC(C)(C)C ZINC001579037925 1276622161 /nfs/dbraw/zinc/62/21/61/1276622161.db2.gz DUNGARUKNCXTOA-MRXNPFEDSA-N 0 3 370.457 0.825 20 30 FCEDHN CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C#CC(C)(C)C ZINC001579037925 1276622169 /nfs/dbraw/zinc/62/21/69/1276622169.db2.gz DUNGARUKNCXTOA-MRXNPFEDSA-N 0 3 370.457 0.825 20 30 FCEDHN COCC#CC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C12CCC2 ZINC001579618475 1277664251 /nfs/dbraw/zinc/66/42/51/1277664251.db2.gz KXYOUUKOYKOLPR-HUUCEWRRSA-N 0 3 369.429 0.475 20 30 FCEDHN COCC#CC[NH2+]C[C@](C)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001579619439 1277665905 /nfs/dbraw/zinc/66/59/05/1277665905.db2.gz SBAYHPHUBFTQKV-KRWDZBQOSA-N 0 3 357.418 0.333 20 30 FCEDHN COCC#CC[N@H+](C)CC1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001579619005 1277667190 /nfs/dbraw/zinc/66/71/90/1277667190.db2.gz OEICSAJIZBXCTB-UHFFFAOYSA-N 0 3 371.445 0.629 20 30 FCEDHN COCC#CC[N@@H+](C)CC1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001579619005 1277667197 /nfs/dbraw/zinc/66/71/97/1277667197.db2.gz OEICSAJIZBXCTB-UHFFFAOYSA-N 0 3 371.445 0.629 20 30 FCEDHN COCC#CC[N@H+](C)CC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001579619005 1277667203 /nfs/dbraw/zinc/66/72/03/1277667203.db2.gz OEICSAJIZBXCTB-UHFFFAOYSA-N 0 3 371.445 0.629 20 30 FCEDHN COCC#CC[N@@H+](C)CC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001579619005 1277667210 /nfs/dbraw/zinc/66/72/10/1277667210.db2.gz OEICSAJIZBXCTB-UHFFFAOYSA-N 0 3 371.445 0.629 20 30 FCEDHN COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H](C)C#N)cc1-c1nnn[n-]1 ZINC001580014670 1277991239 /nfs/dbraw/zinc/99/12/39/1277991239.db2.gz IAIHDTSSYRXFRN-VXGBXAGGSA-N 0 3 357.418 0.971 20 30 FCEDHN C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001580279872 1278078969 /nfs/dbraw/zinc/07/89/69/1278078969.db2.gz KKHLEVIHJLLZEU-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001580279872 1278078980 /nfs/dbraw/zinc/07/89/80/1278078980.db2.gz KKHLEVIHJLLZEU-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)NC[C@H](CC)Nc1ccncc1-c1nn[nH]n1 ZINC001588351105 1282445919 /nfs/dbraw/zinc/44/59/19/1282445919.db2.gz DZONKPRVFZMTTH-BBRMVZONSA-N 0 3 368.445 0.088 20 30 FCEDHN C#CCO[C@H](C)C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001588355116 1282450643 /nfs/dbraw/zinc/45/06/43/1282450643.db2.gz DCARDTTZRVECTD-QWHCGFSZSA-N 0 3 374.420 0.981 20 30 FCEDHN C#CCO[C@H](C)C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001588355116 1282450648 /nfs/dbraw/zinc/45/06/48/1282450648.db2.gz DCARDTTZRVECTD-QWHCGFSZSA-N 0 3 374.420 0.981 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@H](C)NCc1cc(-c2nn[nH]n2)ccc1OC ZINC001588356478 1282461202 /nfs/dbraw/zinc/46/12/02/1282461202.db2.gz XSIDBYDMEAPGMA-QWHCGFSZSA-N 0 3 372.429 0.508 20 30 FCEDHN C#CCO[C@H](C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588357215 1282465456 /nfs/dbraw/zinc/46/54/56/1282465456.db2.gz JEHQMDOTRTTXFG-CHWSQXEVSA-N 0 3 374.420 0.981 20 30 FCEDHN C#CCO[C@H](C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588357215 1282465461 /nfs/dbraw/zinc/46/54/61/1282465461.db2.gz JEHQMDOTRTTXFG-CHWSQXEVSA-N 0 3 374.420 0.981 20 30 FCEDHN C#CCO[C@H](C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001588357710 1282466940 /nfs/dbraw/zinc/46/69/40/1282466940.db2.gz MGISBSSDKAJSRK-ZIAGYGMSSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCO[C@H](C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001588357710 1282466945 /nfs/dbraw/zinc/46/69/45/1282466945.db2.gz MGISBSSDKAJSRK-ZIAGYGMSSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001588358186 1282469340 /nfs/dbraw/zinc/46/93/40/1282469340.db2.gz VANHMWCBHJQWKQ-CXAGYDPISA-N 0 3 368.441 0.889 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001588358186 1282469343 /nfs/dbraw/zinc/46/93/43/1282469343.db2.gz VANHMWCBHJQWKQ-CXAGYDPISA-N 0 3 368.441 0.889 20 30 FCEDHN C#CCOCCC(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588359356 1282474202 /nfs/dbraw/zinc/47/42/02/1282474202.db2.gz MBGDGCHQFLGGHH-ZDUSSCGKSA-N 0 3 374.420 0.982 20 30 FCEDHN C#CCOCCC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588359356 1282474210 /nfs/dbraw/zinc/47/42/10/1282474210.db2.gz MBGDGCHQFLGGHH-ZDUSSCGKSA-N 0 3 374.420 0.982 20 30 FCEDHN C#CCOCCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588359406 1282474243 /nfs/dbraw/zinc/47/42/43/1282474243.db2.gz NPFNVMWHPDKCCY-MRXNPFEDSA-N 0 3 354.414 0.597 20 30 FCEDHN C#CCOCCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001588359406 1282474249 /nfs/dbraw/zinc/47/42/49/1282474249.db2.gz NPFNVMWHPDKCCY-MRXNPFEDSA-N 0 3 354.414 0.597 20 30 FCEDHN C#CCOCCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588362360 1282487019 /nfs/dbraw/zinc/48/70/19/1282487019.db2.gz BGUYKMKMOBGGQD-FZNQNYSPSA-N 0 3 368.441 0.891 20 30 FCEDHN C#CCOCCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001588362360 1282487022 /nfs/dbraw/zinc/48/70/22/1282487022.db2.gz BGUYKMKMOBGGQD-FZNQNYSPSA-N 0 3 368.441 0.891 20 30 FCEDHN C=C(C)CC[N@@H+]1CCC[C@@](CO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001588419837 1282504072 /nfs/dbraw/zinc/50/40/72/1282504072.db2.gz VKILYWVJUITZFY-QGZVFWFLSA-N 0 3 359.434 0.718 20 30 FCEDHN C=C(C)CC[N@H+]1CCC[C@@](CO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001588419837 1282504084 /nfs/dbraw/zinc/50/40/84/1282504084.db2.gz VKILYWVJUITZFY-QGZVFWFLSA-N 0 3 359.434 0.718 20 30 FCEDHN C=C(C)CC[NH2+][C@]1(CO)CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588423729 1282504984 /nfs/dbraw/zinc/50/49/84/1282504984.db2.gz AKGXWZILIBONSZ-QGZVFWFLSA-N 0 3 359.434 0.718 20 30 FCEDHN C=C(C)CC[NH2+][C@]1(CO)CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588423729 1282504994 /nfs/dbraw/zinc/50/49/94/1282504994.db2.gz AKGXWZILIBONSZ-QGZVFWFLSA-N 0 3 359.434 0.718 20 30 FCEDHN C=C(C)CC[NH2+]CC1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001588423876 1282506062 /nfs/dbraw/zinc/50/60/62/1282506062.db2.gz CBTWADQYAXRPDJ-UHFFFAOYSA-N 0 3 359.434 0.718 20 30 FCEDHN C=C(C)CC[NH2+]CC1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001588423876 1282506073 /nfs/dbraw/zinc/50/60/73/1282506073.db2.gz CBTWADQYAXRPDJ-UHFFFAOYSA-N 0 3 359.434 0.718 20 30 FCEDHN C=CC(C)(C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001588468894 1282513634 /nfs/dbraw/zinc/51/36/34/1282513634.db2.gz QMFICIAGLIRJRO-OAHLLOKOSA-N 0 3 358.446 0.988 20 30 FCEDHN C=CC(C)(C)C(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001588468894 1282513640 /nfs/dbraw/zinc/51/36/40/1282513640.db2.gz QMFICIAGLIRJRO-OAHLLOKOSA-N 0 3 358.446 0.988 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)NC[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001588502177 1282537438 /nfs/dbraw/zinc/53/74/38/1282537438.db2.gz RHOBMFATUGZHAC-PIGZYNQJSA-N 0 3 362.409 0.927 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)NC[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001588502177 1282537448 /nfs/dbraw/zinc/53/74/48/1282537448.db2.gz RHOBMFATUGZHAC-PIGZYNQJSA-N 0 3 362.409 0.927 20 30 FCEDHN C=C[C@](C)(O)CC(=O)NC/C=C\C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588505887 1282547491 /nfs/dbraw/zinc/54/74/91/1282547491.db2.gz ZCLGKQUWFLKWKB-MJRGOJFPSA-N 0 3 356.430 0.956 20 30 FCEDHN C=C[C@](C)(O)CC(=O)NC/C=C\C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001588505887 1282547497 /nfs/dbraw/zinc/54/74/97/1282547497.db2.gz ZCLGKQUWFLKWKB-MJRGOJFPSA-N 0 3 356.430 0.956 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001588508947 1282551427 /nfs/dbraw/zinc/55/14/27/1282551427.db2.gz SKQBGUNFLHILGB-WXSAJPJJSA-N 0 3 368.441 0.740 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001588508947 1282551433 /nfs/dbraw/zinc/55/14/33/1282551433.db2.gz SKQBGUNFLHILGB-WXSAJPJJSA-N 0 3 368.441 0.740 20 30 FCEDHN C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](C)C1 ZINC001588660147 1282611877 /nfs/dbraw/zinc/61/18/77/1282611877.db2.gz WVURJUIYQSXTHU-NEPJUHHUSA-N 0 3 372.433 0.080 20 30 FCEDHN C=CCOCC[N@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C ZINC001588682996 1282645699 /nfs/dbraw/zinc/64/56/99/1282645699.db2.gz MPANJNKVOOUFDV-STQMWFEESA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C ZINC001588682996 1282645712 /nfs/dbraw/zinc/64/57/12/1282645712.db2.gz MPANJNKVOOUFDV-STQMWFEESA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[N@@H+]1C[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H](C)C1 ZINC001588683533 1282648298 /nfs/dbraw/zinc/64/82/98/1282648298.db2.gz XKUFBRLPSUGGSH-CHWSQXEVSA-N 0 3 359.434 0.695 20 30 FCEDHN C=CCOCC[N@H+]1C[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H](C)C1 ZINC001588683533 1282648309 /nfs/dbraw/zinc/64/83/09/1282648309.db2.gz XKUFBRLPSUGGSH-CHWSQXEVSA-N 0 3 359.434 0.695 20 30 FCEDHN C=CCOCC[N@@H+]1C[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](C)C1 ZINC001588683533 1282648324 /nfs/dbraw/zinc/64/83/24/1282648324.db2.gz XKUFBRLPSUGGSH-CHWSQXEVSA-N 0 3 359.434 0.695 20 30 FCEDHN C=CCOCC[N@H+]1C[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](C)C1 ZINC001588683533 1282648334 /nfs/dbraw/zinc/64/83/34/1282648334.db2.gz XKUFBRLPSUGGSH-CHWSQXEVSA-N 0 3 359.434 0.695 20 30 FCEDHN C=CCOCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001588683520 1282649811 /nfs/dbraw/zinc/64/98/11/1282649811.db2.gz WXXVHNPJTGNVHR-GXTWGEPZSA-N 0 3 359.434 0.886 20 30 FCEDHN C=CCOCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001588683520 1282649827 /nfs/dbraw/zinc/64/98/27/1282649827.db2.gz WXXVHNPJTGNVHR-GXTWGEPZSA-N 0 3 359.434 0.886 20 30 FCEDHN CC#CCCCC(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001588740853 1282683940 /nfs/dbraw/zinc/68/39/40/1282683940.db2.gz YIGYCFMPLUGMCW-HNNXBMFYSA-N 0 3 374.420 0.766 20 30 FCEDHN CC#CCCCC(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001588740853 1282683950 /nfs/dbraw/zinc/68/39/50/1282683950.db2.gz YIGYCFMPLUGMCW-HNNXBMFYSA-N 0 3 374.420 0.766 20 30 FCEDHN CC(C)(C)C#CC(=O)N(CCO)CC[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001589065770 1282787849 /nfs/dbraw/zinc/78/78/49/1282787849.db2.gz PUGJLWOAVZAYKU-UHFFFAOYSA-N 0 3 370.457 0.827 20 30 FCEDHN CC(C)(C)C#CC(=O)N(CCO)CC[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001589065770 1282787858 /nfs/dbraw/zinc/78/78/58/1282787858.db2.gz PUGJLWOAVZAYKU-UHFFFAOYSA-N 0 3 370.457 0.827 20 30 FCEDHN COC(=O)[C@@]1(C)CCN(C(=O)C(C#N)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591244489 1284393514 /nfs/dbraw/zinc/39/35/14/1284393514.db2.gz VAQYYQAWNBVJEO-KDOFPFPSSA-N 0 3 368.397 0.961 20 30 FCEDHN COCC#CC[NH2+]C1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCC1 ZINC001591361821 1284497997 /nfs/dbraw/zinc/49/79/97/1284497997.db2.gz OOLAPPKRQQEYKU-UHFFFAOYSA-N 0 3 357.418 0.477 20 30 FCEDHN COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C#CC3CC3)C2)cc1-c1nnn[n-]1 ZINC001591596581 1284761111 /nfs/dbraw/zinc/76/11/11/1284761111.db2.gz BNMPGOMALFIBKS-OAHLLOKOSA-N 0 3 366.425 0.979 20 30 FCEDHN COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C#CC3CC3)C2)cc1-c1nn[n-]n1 ZINC001591596581 1284761128 /nfs/dbraw/zinc/76/11/28/1284761128.db2.gz BNMPGOMALFIBKS-OAHLLOKOSA-N 0 3 366.425 0.979 20 30 FCEDHN N#CC1(C[C@@H](O)C[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC001592669000 1285565766 /nfs/dbraw/zinc/56/57/66/1285565766.db2.gz SGLFWMNTTMKZAK-OAHLLOKOSA-N 0 3 372.429 0.906 20 30 FCEDHN N#CCSCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001592679533 1285576099 /nfs/dbraw/zinc/57/60/99/1285576099.db2.gz TVTKJQWWEWOKNP-AWEZNQCLSA-N 0 3 357.443 0.814 20 30 FCEDHN N#Cc1ccc([C@@H](C(=O)[O-])N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC001601094867 1286632773 /nfs/dbraw/zinc/63/27/73/1286632773.db2.gz ZOXCLROXEDPKBF-IKGGRYGDSA-N 0 3 370.409 0.941 20 30 FCEDHN C#CC[NH2+]C1CCC2(CC1)CN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)CCO2 ZINC001602722284 1287077107 /nfs/dbraw/zinc/07/71/07/1287077107.db2.gz KEOQFCLMMJTGIA-UHFFFAOYSA-N 0 3 369.429 0.571 20 30 FCEDHN COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001605036456 1287844583 /nfs/dbraw/zinc/84/45/83/1287844583.db2.gz NNDMNYZUCBLANP-ZIAGYGMSSA-N 0 3 357.418 0.475 20 30 FCEDHN COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001605036456 1287844589 /nfs/dbraw/zinc/84/45/89/1287844589.db2.gz NNDMNYZUCBLANP-ZIAGYGMSSA-N 0 3 357.418 0.475 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@H]1CC[C@@H](NCC(=O)Nc2nccs2)C1 ZINC001691875017 1289332404 /nfs/dbraw/zinc/33/24/04/1289332404.db2.gz VJTWHESKOOUPFW-HZSPNIEDSA-N 0 3 364.471 0.994 20 30 FCEDHN C[C@@H]1CCN(C(=O)COC[C@@H]2CCCO2)[C@H](CNCC(=O)NCC#N)C1 ZINC001692102816 1289400329 /nfs/dbraw/zinc/40/03/29/1289400329.db2.gz PIZZUQZJZVFRLL-PMPSAXMXSA-N 0 3 366.462 0.038 20 30 FCEDHN CCC(=O)N1CC[C@H](C(=O)N2C[C@H]3CCN(CC#CCOC)C[C@H]3C2)C1 ZINC001692287042 1289444756 /nfs/dbraw/zinc/44/47/56/1289444756.db2.gz XZYVKFLGLVNIQT-SQNIBIBYSA-N 0 3 361.486 0.675 20 30 FCEDHN COCC#CCN1CC[C@@H]2CN(C(=O)[C@H](CC(C)C)NC(C)=O)C[C@@H]2C1 ZINC001692289519 1289444861 /nfs/dbraw/zinc/44/48/61/1289444861.db2.gz SWPWTBVMWQEJAB-QYZOEREBSA-N 0 3 363.502 0.967 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001692321937 1289446832 /nfs/dbraw/zinc/44/68/32/1289446832.db2.gz IAZDUDAQUNQLGJ-RBSFLKMASA-N 0 3 358.446 0.514 20 30 FCEDHN C[C@H](CNCC(=O)NCC#N)NC(=O)[C@@H]1COCC[C@@H]1c1ccccc1 ZINC001699363956 1289550823 /nfs/dbraw/zinc/55/08/23/1289550823.db2.gz XVASNNVEOXBJTE-DJIMGWMZSA-N 0 3 358.442 0.541 20 30 FCEDHN COCC#CCNC[C@@H](C)NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC001699381100 1289552772 /nfs/dbraw/zinc/55/27/72/1289552772.db2.gz PKQJHFXUGPTRHZ-UWWQBHOKSA-N 0 3 358.442 0.345 20 30 FCEDHN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](CNCC#Cc2ccccc2)C2CC2)O1 ZINC001699590259 1289558460 /nfs/dbraw/zinc/55/84/60/1289558460.db2.gz PWRDULHVSWKCJQ-FGTMMUONSA-N 0 3 355.438 0.555 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]1(O)CCN(CCc2ccns2)C1 ZINC001699902500 1289576188 /nfs/dbraw/zinc/57/61/88/1289576188.db2.gz YKIKJCZRLCAUMW-HLLBOEOZSA-N 0 3 351.472 0.830 20 30 FCEDHN CN1CCN(CCn2c(C3CC3)nnc2N2CCO[C@H](C#N)C2)CC1(C)C ZINC001618488425 1289913742 /nfs/dbraw/zinc/91/37/42/1289913742.db2.gz LPWCIVRZFVRXJW-MRXNPFEDSA-N 0 3 373.505 0.910 20 30 FCEDHN C=CCOCC(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)NC(=O)NCC ZINC001689083197 1294602455 /nfs/dbraw/zinc/60/24/55/1294602455.db2.gz IOBYCQXEUCFUDM-KGLIPLIRSA-N 0 3 354.451 0.251 20 30 FCEDHN C=CCNC(=O)[C@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)CCNC(=O)NC ZINC001689087627 1294606808 /nfs/dbraw/zinc/60/68/08/1294606808.db2.gz GHKHAROBYRNXEX-ILXRZTDVSA-N 0 3 367.494 0.213 20 30 FCEDHN CC[C@@H]1CCO[C@@H]1C(=O)N1CCCCC[C@@H](NCC(=O)NCC#N)C1 ZINC001689265693 1294703801 /nfs/dbraw/zinc/70/38/01/1294703801.db2.gz ZREYFHAQDYVYBV-INMHGKMJSA-N 0 3 350.463 0.802 20 30 FCEDHN C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001690285517 1294863606 /nfs/dbraw/zinc/86/36/06/1294863606.db2.gz AWPIMKOLIDLFCY-HZPDHXFCSA-N 0 3 374.489 0.964 20 30 FCEDHN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)NCC(=O)NCC#N ZINC001690606129 1294874354 /nfs/dbraw/zinc/87/43/54/1294874354.db2.gz GZMJBGYMNJJMHJ-DDTOSNHZSA-N 0 3 350.369 0.802 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001690671772 1294879868 /nfs/dbraw/zinc/87/98/68/1294879868.db2.gz SHYWXQADKIIGQE-RZLSGREXSA-N 0 3 364.446 0.004 20 30 FCEDHN C=CCNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCCO1 ZINC001691785517 1294922629 /nfs/dbraw/zinc/92/26/29/1294922629.db2.gz RMNOHEWILCRRMH-ILXRZTDVSA-N 0 3 366.462 0.394 20 30 FCEDHN C#CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1cnc2n1CCC2 ZINC001691820009 1294928408 /nfs/dbraw/zinc/92/84/08/1294928408.db2.gz SNDNEENQGAGXOV-CABCVRRESA-N 0 3 357.458 0.409 20 30 FCEDHN CO[C@H](CC(C)C)C(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)NCC#N ZINC001691840975 1294938421 /nfs/dbraw/zinc/93/84/21/1294938421.db2.gz NGGMJPKTHHCJNI-OWCLPIDISA-N 0 3 352.479 0.904 20 30 FCEDHN Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2CNCC(=O)NCC#N)c(=O)[nH]1 ZINC001691845218 1294940789 /nfs/dbraw/zinc/94/07/89/1294940789.db2.gz YJJNWWHDWMWRNV-OCCSQVGLSA-N 0 3 359.430 0.566 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cn2ccc(C(F)F)n2)C[C@@H]1n1ccnn1 ZINC001070206428 837633864 /nfs/dbraw/zinc/63/38/64/837633864.db2.gz ALACYCPCSIJQNM-OLZOCXBDSA-N 0 3 351.361 0.640 20 30 FCEDHN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H]2CCCCN2C)C[C@@H]1n1ccnn1 ZINC001070219836 837636183 /nfs/dbraw/zinc/63/61/83/837636183.db2.gz MSCNSUDWXDONBU-KFWWJZLASA-N 0 3 352.870 0.856 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc(C(N)=O)s2)C[C@H]1c1cn(C)cn1 ZINC001070545277 837658190 /nfs/dbraw/zinc/65/81/90/837658190.db2.gz MDWWHBLUOVTRPZ-WCQYABFASA-N 0 3 359.455 0.964 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)[C@@H]2COCCN2C(C)=O)C[C@H]1C(F)(F)F ZINC001099346536 844037265 /nfs/dbraw/zinc/03/72/65/844037265.db2.gz QWCUJPIUENSLHM-MCIONIFRSA-N 0 3 363.380 0.789 20 30 FCEDHN CC#CCN1C[C@@H]2CN(C(=O)CCCCCS(N)(=O)=O)C[C@]2(C)C1 ZINC001101495056 844209643 /nfs/dbraw/zinc/20/96/43/844209643.db2.gz SEAFEJBOMBLFSR-WBVHZDCISA-N 0 3 355.504 0.639 20 30 FCEDHN C[C@H](CN1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)[C@H](C)C1)CS(C)(=O)=O ZINC001101850730 844294844 /nfs/dbraw/zinc/29/48/44/844294844.db2.gz OLULNSWFKJJFJL-UMVBOHGHSA-N 0 3 366.487 0.865 20 30 FCEDHN C#CCOCCC(=O)NC[C@@H]1CN([C@H](C)C(=O)N(C)C(C)C)C[C@H]1C ZINC001101960564 844348971 /nfs/dbraw/zinc/34/89/71/844348971.db2.gz GLKPEXGJFYTHOS-BRWVUGGUSA-N 0 3 351.491 0.966 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001101964261 844349844 /nfs/dbraw/zinc/34/98/44/844349844.db2.gz IITUGCWOESJBPQ-HLLBOEOZSA-N 0 3 370.515 0.534 20 30 FCEDHN C#CCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)C2(F)CCOCC2)[C@H](C)C1 ZINC001102030974 844389487 /nfs/dbraw/zinc/38/94/87/844389487.db2.gz LZUSQNVKARLYOX-QLFBSQMISA-N 0 3 353.438 0.327 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CCC2CCOCC2)C[C@H]1O ZINC001077822074 839175377 /nfs/dbraw/zinc/17/53/77/839175377.db2.gz WXYPRQMQINUGHZ-MLHJIOFPSA-N 0 3 352.475 0.946 20 30 FCEDHN C#CCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)c2snnc2CC)[C@H](C)C1 ZINC001102129840 844426356 /nfs/dbraw/zinc/42/63/56/844426356.db2.gz WWVJIIOCOSPROC-FRRDWIJNSA-N 0 3 363.487 0.536 20 30 FCEDHN C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)c3cnc(Cl)n3C)C[C@H]2C)C1=O ZINC001082644269 840509363 /nfs/dbraw/zinc/50/93/63/840509363.db2.gz YLSPGALVILUXOB-JHJVBQTASA-N 0 3 365.865 0.911 20 30 FCEDHN C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1NCc1ccc(C#N)s1 ZINC001082738950 840541842 /nfs/dbraw/zinc/54/18/42/840541842.db2.gz PITYPIDTMIKSCN-QPKOPYBWSA-N 0 3 362.455 0.589 20 30 FCEDHN COCC#CCN1C[C@@H](CNC(=O)C2CCN(C(N)=O)CC2)[C@H](C)C1 ZINC001102560674 844563850 /nfs/dbraw/zinc/56/38/50/844563850.db2.gz HDPDVZFRTKBHQF-GDBMZVCRSA-N 0 3 350.463 0.111 20 30 FCEDHN C#CCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)CCc2nccs2)[C@H](C)C1 ZINC001102586589 844582138 /nfs/dbraw/zinc/58/21/38/844582138.db2.gz JHIMBTURTADDLU-QLFBSQMISA-N 0 3 362.499 0.898 20 30 FCEDHN C#CCN1CCC(C(=O)N2CCO[C@@H]3CN(C[C@@H](F)CC)C[C@@H]32)CC1 ZINC001083283724 840867254 /nfs/dbraw/zinc/86/72/54/840867254.db2.gz PRSZEKZPKZHFLH-OKZBNKHCSA-N 0 3 351.466 0.991 20 30 FCEDHN C=CCCOCC(=O)NC[C@@H]1CN(CCNC(=O)NC(C)C)C[C@H]1C ZINC001102609412 844598623 /nfs/dbraw/zinc/59/86/23/844598623.db2.gz XPWICEOISFEWEN-HZPDHXFCSA-N 0 3 354.495 0.971 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)CCOCCOC)[C@H](C)C1 ZINC001102611939 844601453 /nfs/dbraw/zinc/60/14/53/844601453.db2.gz YQHVBJLAYTXNKL-BZUAXINKSA-N 0 3 355.479 0.414 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H](C)n2nnnc2C(C)(C)C)[C@@H](O)C1 ZINC001083513498 841104920 /nfs/dbraw/zinc/10/49/20/841104920.db2.gz KZKNLDZIGZWXEZ-MCIONIFRSA-N 0 3 350.467 0.659 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CCNC(=O)COC)C1 ZINC001102625865 844613117 /nfs/dbraw/zinc/61/31/17/844613117.db2.gz GMQTTWFQQSIFPN-MGPQQGTHSA-N 0 3 354.451 0.107 20 30 FCEDHN CCOCCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CSCC#N)C1 ZINC001102684884 844628129 /nfs/dbraw/zinc/62/81/29/844628129.db2.gz NGASVUSANUQOSJ-HUUCEWRRSA-N 0 3 370.519 0.470 20 30 FCEDHN C=C(Br)CN1C[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](O)C1 ZINC001083696154 841326931 /nfs/dbraw/zinc/32/69/31/841326931.db2.gz LQGPXYFXLXTNBX-OLZOCXBDSA-N 0 3 360.296 0.931 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(Cc3csc(C)n3)C[C@@H]2O)CC1 ZINC001084087853 841695973 /nfs/dbraw/zinc/69/59/73/841695973.db2.gz DFADRADMPIELLN-SJORKVTESA-N 0 3 362.499 0.458 20 30 FCEDHN C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001085737492 842113581 /nfs/dbraw/zinc/11/35/81/842113581.db2.gz PARCDYWOUBTSMF-KURKYZTESA-N 0 3 351.491 0.975 20 30 FCEDHN C#CCCN1C[C@H](NC(=O)[C@H]2OCCO[C@H]2C)CC2(CCOCC2)C1 ZINC001089944865 842776578 /nfs/dbraw/zinc/77/65/78/842776578.db2.gz HXKKUZJFRFOPAK-BBWFWOEESA-N 0 3 350.459 0.801 20 30 FCEDHN CC[C@@H](C(=O)N[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1O)N(C)C ZINC001090454586 842817420 /nfs/dbraw/zinc/81/74/20/842817420.db2.gz FBDMGSFHMXPAPC-OUAUKWLOSA-N 0 3 357.867 0.674 20 30 FCEDHN C=CCN1CCN(C(=O)CC[C@H]2CCCN2C)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094639292 843630586 /nfs/dbraw/zinc/63/05/86/843630586.db2.gz UIIZCNJULGIKLQ-OWCLPIDISA-N 0 3 355.504 0.357 20 30 FCEDHN C=CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CCCC(=O)NC)C1 ZINC001102889465 844661346 /nfs/dbraw/zinc/66/13/46/844661346.db2.gz AMUOGEIQDAOHIO-HUUCEWRRSA-N 0 3 352.479 0.279 20 30 FCEDHN C#CCOCCC(=O)NCC[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001102973995 844676257 /nfs/dbraw/zinc/67/62/57/844676257.db2.gz LDROPPWRXGZIDA-IXDOHACOSA-N 0 3 370.515 0.535 20 30 FCEDHN C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2cc(OC)ns2)C1 ZINC001103001061 844681758 /nfs/dbraw/zinc/68/17/58/844681758.db2.gz RGUQZCIYTRKLOL-CHWSQXEVSA-N 0 3 364.471 0.589 20 30 FCEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001103705656 844803564 /nfs/dbraw/zinc/80/35/64/844803564.db2.gz GCNWNASBTQASKA-RAIGVLPGSA-N 0 3 356.854 0.801 20 30 FCEDHN C=CCOCCN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)CS(C)(=O)=O)C1 ZINC001103761326 844818081 /nfs/dbraw/zinc/81/80/81/844818081.db2.gz FQAFOZLRNFFHBG-OWCLPIDISA-N 0 3 360.520 0.944 20 30 FCEDHN C=CCO[C@@H](C)C(=O)NCC[C@@H]1CN(CC(=O)NC(=O)NC)C[C@H]1C ZINC001103768929 844820870 /nfs/dbraw/zinc/82/08/70/844820870.db2.gz HMSSDVUWFLAGSR-HZSPNIEDSA-N 0 3 354.451 0.107 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1C[C@]2(CN(C(=O)CSC)[C@@H]2C(C)C)C[C@H]1O ZINC001105590975 844992649 /nfs/dbraw/zinc/99/26/49/844992649.db2.gz OFOPKCPEEROLQM-DTTOXWODSA-N 0 3 367.515 0.065 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1C[C@]2(CN(C(=O)C(C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105598236 844996029 /nfs/dbraw/zinc/99/60/29/844996029.db2.gz MSHDGQONVJNRLL-FXRXJOCMSA-N 0 3 351.491 0.911 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCCNC(C)=O ZINC001109212731 845596775 /nfs/dbraw/zinc/59/67/75/845596775.db2.gz 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FCEDHN CN1CCC(CNS(=O)(=O)CC2(CC#N)CC2)(N2CCOCC2)CC1 ZINC001309583419 866845724 /nfs/dbraw/zinc/84/57/24/866845724.db2.gz AUGDJQIPEVZSAL-UHFFFAOYSA-N 0 3 370.519 0.396 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N(C)[C@H](C)CS(=O)(=O)CC)CC1 ZINC001323249144 869116106 /nfs/dbraw/zinc/11/61/06/869116106.db2.gz XPOZZMDOXPBHSA-CYBMUJFWSA-N 0 3 359.492 0.035 20 30 FCEDHN C#CCN(C)CCCNS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC001343893806 870652545 /nfs/dbraw/zinc/65/25/45/870652545.db2.gz DUMVUPLRNQVMEZ-UHFFFAOYSA-N 0 3 371.846 0.904 20 30 FCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1nnc(-c2ccncc2)s1 ZINC001343950992 870682304 /nfs/dbraw/zinc/68/23/04/870682304.db2.gz VYKCBOPRTDBQRH-UHFFFAOYSA-N 0 3 358.427 0.610 20 30 FCEDHN C#CCN(C)S(=O)(=O)CCCCS(=O)(=O)Nc1cc(C)nc(C)c1 ZINC001327250739 870743202 /nfs/dbraw/zinc/74/32/02/870743202.db2.gz JXLBAUZJMPKWCA-UHFFFAOYSA-N 0 3 373.500 0.537 20 30 FCEDHN C=CCN(C(=O)C(=O)N(C)CCCN1CCN(C)CC1)[C@@H](C)COC ZINC001327399033 870839449 /nfs/dbraw/zinc/83/94/49/870839449.db2.gz DHDNWXIDAJQAMS-INIZCTEOSA-N 0 3 354.495 0.132 20 30 FCEDHN CN(C)[C@@]1(CNC(=O)C(=O)NCCc2ccc(C#N)cc2)CCSC1 ZINC001328838908 871659830 /nfs/dbraw/zinc/65/98/30/871659830.db2.gz XJVYKHIPCSOFKY-GOSISDBHSA-N 0 3 360.483 0.770 20 30 FCEDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@@H](CC#N)C1 ZINC001329649713 872157290 /nfs/dbraw/zinc/15/72/90/872157290.db2.gz SXWGHSFKFIJKPY-JKSUJKDBSA-N 0 3 350.463 0.708 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N(CCOC)C2CCOCC2)CC1 ZINC001332601242 873575831 /nfs/dbraw/zinc/57/58/31/873575831.db2.gz JMTGQEPJMWIGQH-UHFFFAOYSA-N 0 3 353.463 0.407 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N(CC)CC[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573285838 946788999 /nfs/dbraw/zinc/78/89/99/946788999.db2.gz OWVBYHGDBAEJBH-ZDUSSCGKSA-N 0 3 374.420 0.982 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573286183 946796435 /nfs/dbraw/zinc/79/64/35/946796435.db2.gz VZRWCFVKGFPIHR-GXTWGEPZSA-N 0 3 372.404 0.735 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573286183 946796439 /nfs/dbraw/zinc/79/64/39/946796439.db2.gz VZRWCFVKGFPIHR-GXTWGEPZSA-N 0 3 372.404 0.735 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N(C)[C@@H](C)CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001573286285 946802158 /nfs/dbraw/zinc/80/21/58/946802158.db2.gz YFUVAWYJKKQKNZ-STQMWFEESA-N 0 3 374.420 0.981 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573286786 946818487 /nfs/dbraw/zinc/81/84/87/946818487.db2.gz IOESCJWLBYMSHK-YUELXQCFSA-N 0 3 354.414 0.642 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573286786 946818497 /nfs/dbraw/zinc/81/84/97/946818497.db2.gz IOESCJWLBYMSHK-YUELXQCFSA-N 0 3 354.414 0.642 20 30 FCEDHN C=C1CC(C)(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573297458 947063285 /nfs/dbraw/zinc/06/32/85/947063285.db2.gz HZMJPMIDYFCOFN-HNNXBMFYSA-N 0 3 356.430 0.790 20 30 FCEDHN C=C1CC(C)(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573297458 947063296 /nfs/dbraw/zinc/06/32/96/947063296.db2.gz HZMJPMIDYFCOFN-HNNXBMFYSA-N 0 3 356.430 0.790 20 30 FCEDHN C[C@@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573569625 947076726 /nfs/dbraw/zinc/07/67/26/947076726.db2.gz CQBULVKVYXTVIN-AAEUAGOBSA-N 0 3 373.392 0.482 20 30 FCEDHN C[C@@H](C#N)C(=O)NC1(C[NH2+]Cc2ccccc2-c2nnn[n-]2)CCOCC1 ZINC001573573386 947122350 /nfs/dbraw/zinc/12/23/50/947122350.db2.gz NAZDZPGLUZVGGL-ZDUSSCGKSA-N 0 3 369.429 0.781 20 30 FCEDHN C[C@@H](C#N)C(=O)NC1(C[NH2+]Cc2ccccc2-c2nn[n-]n2)CCOCC1 ZINC001573573386 947122354 /nfs/dbraw/zinc/12/23/54/947122354.db2.gz NAZDZPGLUZVGGL-ZDUSSCGKSA-N 0 3 369.429 0.781 20 30 FCEDHN C[C@H](C#N)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21 ZINC001573577507 947167518 /nfs/dbraw/zinc/16/75/18/947167518.db2.gz QOXXQRGEJBDCNP-MPESAESLSA-N 0 3 351.414 0.820 20 30 FCEDHN C[C@H](C#N)C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21 ZINC001573577507 947167527 /nfs/dbraw/zinc/16/75/27/947167527.db2.gz QOXXQRGEJBDCNP-MPESAESLSA-N 0 3 351.414 0.820 20 30 FCEDHN C[C@H](C#N)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21 ZINC001573577507 947167533 /nfs/dbraw/zinc/16/75/33/947167533.db2.gz QOXXQRGEJBDCNP-MPESAESLSA-N 0 3 351.414 0.820 20 30 FCEDHN C[C@H](C#N)C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21 ZINC001573577507 947167537 /nfs/dbraw/zinc/16/75/37/947167537.db2.gz QOXXQRGEJBDCNP-MPESAESLSA-N 0 3 351.414 0.820 20 30 FCEDHN C[C@H](CNC(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574995269 950502250 /nfs/dbraw/zinc/50/22/50/950502250.db2.gz CXWBSCYYCOTYIR-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN C=CCOC[C@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C(=O)[O-] ZINC001339524396 962038408 /nfs/dbraw/zinc/03/84/08/962038408.db2.gz UJVVDFFOOYDKGU-KRWDZBQOSA-N 0 3 367.490 0.955 20 30 FCEDHN CN(CCC(=O)Nc1ccccc1C#N)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292065405 214075546 /nfs/dbraw/zinc/07/55/46/214075546.db2.gz CIDLBZCILHJGPH-CQSZACIVSA-N 0 3 350.444 0.853 20 30 FCEDHN C[C@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1)CN1CCN(C)CC1 ZINC000284126737 213079367 /nfs/dbraw/zinc/07/93/67/213079367.db2.gz DBQPQVOHTXHBIF-CVEARBPZSA-N 0 3 371.485 0.735 20 30 FCEDHN C[C@@H](CNC(=O)C(=O)NCc1cccc(C#N)c1)CN1CCN(C)CC1 ZINC000284092178 213072491 /nfs/dbraw/zinc/07/24/91/213072491.db2.gz BQMYDNMNQRTURD-HNNXBMFYSA-N 0 3 357.458 0.174 20 30 FCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CCOCC1 ZINC000283985597 213047959 /nfs/dbraw/zinc/04/79/59/213047959.db2.gz HPXPXSHHMLNEMC-UHFFFAOYSA-N 0 3 358.442 0.744 20 30 FCEDHN CN1CCN(CCCNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000192528605 209300448 /nfs/dbraw/zinc/30/04/48/209300448.db2.gz CDSCYXIRCDFYOV-UHFFFAOYSA-N 0 3 374.489 0.807 20 30 FCEDHN N#Cc1ncccc1S(=O)(=O)NCC1(N2CCCC2)CCOCC1 ZINC000277104648 212329632 /nfs/dbraw/zinc/32/96/32/212329632.db2.gz XFBJSOXNEXOINL-UHFFFAOYSA-N 0 3 350.444 0.877 20 30 FCEDHN N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N[C@H](CN)C3CC3)C2)c(F)c1 ZINC000418860285 245875173 /nfs/dbraw/zinc/87/51/73/245875173.db2.gz ZQHNPKICEDGBQI-GDBMZVCRSA-N 0 3 373.432 0.636 20 30 FCEDHN C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C[C@@H](C)N1 ZINC000423079199 246960009 /nfs/dbraw/zinc/96/00/09/246960009.db2.gz XRFXTRNPRSAOQW-HZPDHXFCSA-N 0 3 371.485 0.657 20 30 FCEDHN CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](N)CCCC#N ZINC000424062627 247164456 /nfs/dbraw/zinc/16/44/56/247164456.db2.gz HHMXUHDQZMZMAA-CYBMUJFWSA-N 0 3 367.475 0.963 20 30 FCEDHN COC(=O)CNS(=O)(=O)c1cccc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424093511 247167488 /nfs/dbraw/zinc/16/74/88/247167488.db2.gz RTBIBQYDXSWGCB-ZDUSSCGKSA-N 0 3 368.415 0.098 20 30 FCEDHN CC(=O)N1CCN(c2ccccc2CNC(=O)[C@H](N)CCCC#N)CC1 ZINC000424155189 247173296 /nfs/dbraw/zinc/17/32/96/247173296.db2.gz MJKYGIQGWDCJMB-QGZVFWFLSA-N 0 3 357.458 0.992 20 30 FCEDHN CCN1CCN(C(=O)CC2CCN(C(=O)[C@@H](N)CCCC#N)CC2)CC1 ZINC000424155594 247173765 /nfs/dbraw/zinc/17/37/65/247173765.db2.gz MYIUICPIJZFAFR-KRWDZBQOSA-N 0 3 363.506 0.800 20 30 FCEDHN CN1CCN(C(=O)Cc2ccc(NC(=O)[C@H](N)CCCC#N)cc2)CC1 ZINC000424160336 247174643 /nfs/dbraw/zinc/17/46/43/247174643.db2.gz UGEHTQMDMXMQOX-QGZVFWFLSA-N 0 3 357.458 0.963 20 30 FCEDHN N#CCCC[C@@H](N)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000424173967 247175570 /nfs/dbraw/zinc/17/55/70/247175570.db2.gz OUYNLPLWSRHPBG-HUUCEWRRSA-N 0 3 356.492 0.861 20 30 FCEDHN CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424544474 247258007 /nfs/dbraw/zinc/25/80/07/247258007.db2.gz KZWONQILCUCQFZ-DLBZAZTESA-N 0 3 366.425 0.203 20 30 FCEDHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H](C)c2cccc(C#N)c2)CC1=O ZINC000425309108 247320604 /nfs/dbraw/zinc/32/06/04/247320604.db2.gz CRMLFEQNTGCCAV-MAUKXSAKSA-N 0 3 372.469 0.957 20 30 FCEDHN C[C@H](CC#N)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000438879049 248100031 /nfs/dbraw/zinc/10/00/31/248100031.db2.gz UCSNIQVZZHTVGC-LLVKDONJSA-N 0 3 359.386 0.513 20 30 FCEDHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453754358 249363986 /nfs/dbraw/zinc/36/39/86/249363986.db2.gz PHKZLHHAWIAJSD-UHFFFAOYSA-N 0 3 352.822 0.775 20 30 FCEDHN COCCN1CCC(NC(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 ZINC000270129367 211156316 /nfs/dbraw/zinc/15/63/16/211156316.db2.gz BBDPDBNSEMJLQH-UHFFFAOYSA-N 0 3 356.426 0.674 20 30 FCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000471440563 250102445 /nfs/dbraw/zinc/10/24/45/250102445.db2.gz CANAKVNXWQSYLO-IAGOWNOFSA-N 0 3 373.457 0.664 20 30 FCEDHN C[C@@](O)(CNC(=O)C(C#N)Cc1ccc(C#N)cc1)CN1CCOCC1 ZINC000472202618 250137542 /nfs/dbraw/zinc/13/75/42/250137542.db2.gz APGUWCDDRQMOKA-PKOBYXMFSA-N 0 3 356.426 0.440 20 30 FCEDHN CN(C)C[C@H]1CN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CCO1 ZINC000473840325 250252323 /nfs/dbraw/zinc/25/23/23/250252323.db2.gz DVDGGZNWVNFRHQ-ZWKOTPCHSA-N 0 3 370.453 0.838 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2COCCO2)cc1 ZINC000480962388 250302109 /nfs/dbraw/zinc/30/21/09/250302109.db2.gz MOSVJCHZIDOIFW-YPMHNXCESA-N 0 3 353.400 0.909 20 30 FCEDHN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000482415759 250389486 /nfs/dbraw/zinc/38/94/86/250389486.db2.gz ZMWNIJPGZUSOSF-VNHYZAJKSA-N 0 3 364.471 0.824 20 30 FCEDHN CN1CCN(CCCNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 ZINC000088767816 208119752 /nfs/dbraw/zinc/11/97/52/208119752.db2.gz JDWLKPYBUPEISR-UHFFFAOYSA-N 0 3 363.849 0.904 20 30 FCEDHN C[C@H](c1ccncc1)N1CCC(Nc2c(C#N)c(=O)n(C)c(=O)n2C)CC1 ZINC000119264885 208359272 /nfs/dbraw/zinc/35/92/72/208359272.db2.gz RLWFVRCTUUCISB-CYBMUJFWSA-N 0 3 368.441 0.988 20 30 FCEDHN COC(=O)c1cn(CC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)nn1 ZINC000266988286 210452238 /nfs/dbraw/zinc/45/22/38/210452238.db2.gz IIOTXRJRIGHYPN-UHFFFAOYSA-N 0 3 370.413 0.527 20 30 FCEDHN O=C(NC1CCN(Cc2ccncc2)CC1)N1CCN2CCOC[C@@H]2C1 ZINC000329771779 229726172 /nfs/dbraw/zinc/72/61/72/229726172.db2.gz GZWIMRYHNIKYMN-SFHVURJKSA-N 0 3 359.474 0.976 20 30 FCEDHN CN(C)CCN(C1CCN(C)CC1)S(=O)(=O)c1cccnc1C#N ZINC000331150347 229847200 /nfs/dbraw/zinc/84/72/00/229847200.db2.gz JGYUPKPPQXIEDJ-UHFFFAOYSA-N 0 3 351.476 0.600 20 30 FCEDHN CN(C)CCOc1cccc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)c1 ZINC000409546811 230027853 /nfs/dbraw/zinc/02/78/53/230027853.db2.gz GZNUHMKXSQUDPQ-INIZCTEOSA-N 0 3 368.459 0.186 20 30 FCEDHN CN(C)CCOc1ccc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)cc1 ZINC000409547689 230028517 /nfs/dbraw/zinc/02/85/17/230028517.db2.gz KUKJGRHAFXSEEX-INIZCTEOSA-N 0 3 368.459 0.186 20 30 FCEDHN COCCN(CCC#N)S(=O)(=O)NCCCN1CCCO[C@H](C)C1 ZINC000410426261 230075067 /nfs/dbraw/zinc/07/50/67/230075067.db2.gz GUWBLKAZQYCLKG-OAHLLOKOSA-N 0 3 362.496 0.184 20 30 FCEDHN COCCCN(C)CCNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N ZINC000540267691 484309928 /nfs/dbraw/zinc/30/99/28/484309928.db2.gz SRPPPPMIZBJOMR-UHFFFAOYSA-N 0 3 350.423 0.359 20 30 FCEDHN 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C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ncccc3C)n[n-]2)O1 ZINC001130775063 1202783085 /nfs/dbraw/zinc/78/30/85/1202783085.db2.gz KIKAAWPEWBXUMA-UONOGXRCSA-N 0 3 354.414 0.881 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3ncccc3C)n2)O1 ZINC001130775063 1202783088 /nfs/dbraw/zinc/78/30/88/1202783088.db2.gz KIKAAWPEWBXUMA-UONOGXRCSA-N 0 3 354.414 0.881 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ncoc3C)n[n-]2)O1 ZINC001130765393 1202784428 /nfs/dbraw/zinc/78/44/28/1202784428.db2.gz QDNIVWHFQWHBIW-QWHCGFSZSA-N 0 3 358.402 0.864 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3ncoc3C)n2)O1 ZINC001130765393 1202784432 /nfs/dbraw/zinc/78/44/32/1202784432.db2.gz QDNIVWHFQWHBIW-QWHCGFSZSA-N 0 3 358.402 0.864 20 30 FCEDHN C=CCCC(=O)NCc1n[n-]c([C@H]2CC[C@@H](C[NH2+][C@H](CC)C(N)=O)O2)n1 ZINC001130767212 1202785136 /nfs/dbraw/zinc/78/51/36/1202785136.db2.gz CZDWRDIVGFPLNP-YNEHKIRRSA-N 0 3 364.450 0.461 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCc3ccn(C)n3)n[n-]2)O1 ZINC001130785015 1202788879 /nfs/dbraw/zinc/78/88/79/1202788879.db2.gz AUTOWEPZHASQDG-LSDHHAIUSA-N 0 3 371.445 0.230 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)CCc3ccn(C)n3)n2)O1 ZINC001130785015 1202788880 /nfs/dbraw/zinc/78/88/80/1202788880.db2.gz AUTOWEPZHASQDG-LSDHHAIUSA-N 0 3 371.445 0.230 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(C#N)[nH]3)n[n-]2)O1 ZINC001130777231 1202791022 /nfs/dbraw/zinc/79/10/22/1202791022.db2.gz XRLBNNZFZUPQBU-GXTWGEPZSA-N 0 3 353.386 0.377 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3nccn3CC)n[n-]2)O1 ZINC001130780992 1202793149 /nfs/dbraw/zinc/79/31/49/1202793149.db2.gz JTRDULPQPXMPCA-QWHCGFSZSA-N 0 3 357.418 0.394 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3nccn3CC)n2)O1 ZINC001130780992 1202793152 /nfs/dbraw/zinc/79/31/52/1202793152.db2.gz JTRDULPQPXMPCA-QWHCGFSZSA-N 0 3 357.418 0.394 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)c3ccnn3C)n[n-]2)O1 ZINC001130783132 1202794321 /nfs/dbraw/zinc/79/43/21/1202794321.db2.gz LNOWZWWBIUXCAS-KCQAQPDRSA-N 0 3 371.445 0.401 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@@H](C)c3ccnn3C)n2)O1 ZINC001130783132 1202794326 /nfs/dbraw/zinc/79/43/26/1202794326.db2.gz LNOWZWWBIUXCAS-KCQAQPDRSA-N 0 3 371.445 0.401 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(OC)nc3)n[n-]2)O1 ZINC001130794316 1202795477 /nfs/dbraw/zinc/79/54/77/1202795477.db2.gz RJPIAGFQRVAVAB-UONOGXRCSA-N 0 3 370.413 0.581 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3ccc(OC)nc3)n2)O1 ZINC001130794316 1202795479 /nfs/dbraw/zinc/79/54/79/1202795479.db2.gz RJPIAGFQRVAVAB-UONOGXRCSA-N 0 3 370.413 0.581 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCc1n[n-]c([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n1 ZINC001130807259 1202801504 /nfs/dbraw/zinc/80/15/04/1202801504.db2.gz VLMPTKYUIWSHOD-XUWVNRHRSA-N 0 3 373.457 0.845 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n[n-]1 ZINC001130807259 1202801505 /nfs/dbraw/zinc/80/15/05/1202801505.db2.gz VLMPTKYUIWSHOD-XUWVNRHRSA-N 0 3 373.457 0.845 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cccnc3OC)n[n-]2)O1 ZINC001130802292 1202803207 /nfs/dbraw/zinc/80/32/07/1202803207.db2.gz MONZWIGLGYTYEO-GXTWGEPZSA-N 0 3 370.413 0.581 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cccnc3OC)n2)O1 ZINC001130802292 1202803210 /nfs/dbraw/zinc/80/32/10/1202803210.db2.gz MONZWIGLGYTYEO-GXTWGEPZSA-N 0 3 370.413 0.581 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@]3(C)CCOC3)n[n-]2)O1 ZINC001130813622 1202805984 /nfs/dbraw/zinc/80/59/84/1202805984.db2.gz UPQXYYQKYWFMIW-PMUMKWKESA-N 0 3 361.446 0.681 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@]3(C)CCOC3)n2)O1 ZINC001130813622 1202805986 /nfs/dbraw/zinc/80/59/86/1202805986.db2.gz UPQXYYQKYWFMIW-PMUMKWKESA-N 0 3 361.446 0.681 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(=O)[nH]c3)n[n-]2)O1 ZINC001130817242 1202807888 /nfs/dbraw/zinc/80/78/88/1202807888.db2.gz HWYHHOVWKRNRFB-QWHCGFSZSA-N 0 3 356.386 0.278 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3ccc(=O)[nH]c3)n2)O1 ZINC001130817242 1202807891 /nfs/dbraw/zinc/80/78/91/1202807891.db2.gz HWYHHOVWKRNRFB-QWHCGFSZSA-N 0 3 356.386 0.278 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3c(C)n[nH]c3C)n[n-]2)O1 ZINC001130817544 1202808378 /nfs/dbraw/zinc/80/83/78/1202808378.db2.gz RRJPLSDNZXCWTM-DZGCQCFKSA-N 0 3 371.445 0.446 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)Cc3c(C)n[nH]c3C)n2)O1 ZINC001130817544 1202808381 /nfs/dbraw/zinc/80/83/81/1202808381.db2.gz RRJPLSDNZXCWTM-DZGCQCFKSA-N 0 3 371.445 0.446 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3[nH]cnc3CC)n[n-]2)O1 ZINC001130817517 1202808731 /nfs/dbraw/zinc/80/87/31/1202808731.db2.gz QUBHCUTYQNYYSC-WCQYABFASA-N 0 3 357.418 0.463 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)Cn2cccc(C)c2=O)C[C@H]1c1cncn1C ZINC001130988720 1202837289 /nfs/dbraw/zinc/83/72/89/1202837289.db2.gz KWBLETBSMZZEJV-IAGOWNOFSA-N 0 3 367.453 0.498 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2cc(OC)ncn2)C[C@H]1c1cncn1C ZINC001130988903 1202837635 /nfs/dbraw/zinc/83/76/35/1202837635.db2.gz PFHJNFMQVCKFDI-UKRRQHHQSA-N 0 3 354.414 0.440 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)COCc2nccn2C)C[C@H]1c1cncn1C ZINC001131012917 1202844944 /nfs/dbraw/zinc/84/49/44/1202844944.db2.gz SFJFRFHIGCTYIQ-HZPDHXFCSA-N 0 3 370.457 0.278 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2cnc3n2CCOC3)C[C@H]1c1cncn1C ZINC001131015415 1202845628 /nfs/dbraw/zinc/84/56/28/1202845628.db2.gz WPIMTVURIYUTFM-HUUCEWRRSA-N 0 3 368.441 0.368 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1c1cncn1C ZINC001131022639 1202846868 /nfs/dbraw/zinc/84/68/68/1202846868.db2.gz DQBIJMXHTATLGF-HZPDHXFCSA-N 0 3 353.426 0.340 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)Cc2cc(C)nn2C)C[C@H]1c1cncn1C ZINC001131028851 1202848827 /nfs/dbraw/zinc/84/88/27/1202848827.db2.gz MEGOFJNNWWENKU-IAGOWNOFSA-N 0 3 354.458 0.612 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1c1cncn1C ZINC001131033127 1202850557 /nfs/dbraw/zinc/85/05/57/1202850557.db2.gz JATWZYPZCFCYMX-DOEOUOAPSA-N 0 3 372.469 0.379 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@H]2CCCc3nn[nH]c32)C[C@H]1c1cncn1C ZINC001131055817 1202854989 /nfs/dbraw/zinc/85/49/89/1202854989.db2.gz NMDYMSZPBHALNY-SQWLQELKSA-N 0 3 367.457 0.566 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2conc2COC)C[C@H]1c1cncn1C ZINC001131108122 1202864182 /nfs/dbraw/zinc/86/41/82/1202864182.db2.gz KKWZOKAXJZFWFY-UKRRQHHQSA-N 0 3 357.414 0.776 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CN(CC)CCO2)C[C@H]1c1cncn1C ZINC001131125773 1202866762 /nfs/dbraw/zinc/86/67/62/1202866762.db2.gz LLGRLFMAXAJKLO-NUJGCVRESA-N 0 3 359.474 0.048 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)COCc2cccnc2)C[C@H]1c1cncn1C ZINC001131115306 1202867106 /nfs/dbraw/zinc/86/71/06/1202867106.db2.gz JVAQSUYSPRRPFB-IAGOWNOFSA-N 0 3 353.426 0.549 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)CCn2cc(C)cn2)C[C@H]1c1cncn1C ZINC001131127870 1202868182 /nfs/dbraw/zinc/86/81/82/1202868182.db2.gz IZHJVDCVHOYFGG-IAGOWNOFSA-N 0 3 354.458 0.923 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@](C)(NC(C)=O)C(C)C)C[C@H]1c1cncn1C ZINC001131130267 1202868696 /nfs/dbraw/zinc/86/86/96/1202868696.db2.gz DXZQPIMKDGYDBI-GPMSIDNRSA-N 0 3 359.474 0.488 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@H](CCCC)NC(N)=O)C[C@H]1c1cncn1C ZINC001131132759 1202870041 /nfs/dbraw/zinc/87/00/41/1202870041.db2.gz PUNQRKXLOXMGIM-QLFBSQMISA-N 0 3 360.462 0.164 20 30 FCEDHN COCCN(C)CCN1C[C@H](NC(=O)/C=C\c2ccccc2C#N)CC1=O ZINC000808271080 1202878363 /nfs/dbraw/zinc/87/83/63/1202878363.db2.gz MEQXBTMSMOOGDJ-JTHGQSKGSA-N 0 3 370.453 0.867 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccco2)CC1 ZINC001131411059 1202894616 /nfs/dbraw/zinc/89/46/16/1202894616.db2.gz MMZULWAQRBLMGJ-PBHICJAKSA-N 0 3 360.414 0.519 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)COC(C)C)CC1 ZINC001131439316 1202895823 /nfs/dbraw/zinc/89/58/23/1202895823.db2.gz DWNHXBOKYRCEIA-APWZRJJASA-N 0 3 367.490 0.699 20 30 FCEDHN C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2NCc2cnnn2C)CC1 ZINC001131454272 1202898434 /nfs/dbraw/zinc/89/84/34/1202898434.db2.gz UAJOVIQYCFESHE-AEFFLSMTSA-N 0 3 363.462 0.503 20 30 FCEDHN CC(C)=C(F)C(=O)N1CCC([C@@H]2OCC[C@H]2NCC(=O)NCC#N)CC1 ZINC001131473247 1202900912 /nfs/dbraw/zinc/90/09/12/1202900912.db2.gz WPBFVWCNSUOMBM-PBHICJAKSA-N 0 3 366.437 0.875 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)C#CC2CC2)CC1 ZINC001131493762 1202902935 /nfs/dbraw/zinc/90/29/35/1202902935.db2.gz PYTLNBPOZQAZAD-APWZRJJASA-N 0 3 358.442 0.025 20 30 FCEDHN C=C(C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2NCC(=O)NCC#N)CC1 ZINC001131510409 1202904989 /nfs/dbraw/zinc/90/49/89/1202904989.db2.gz HDKYGQHRJQLXAO-APWZRJJASA-N 0 3 362.474 0.968 20 30 FCEDHN O=C(CNCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NCC#Cc1ccccc1 ZINC001131516811 1202908117 /nfs/dbraw/zinc/90/81/17/1202908117.db2.gz 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CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CNc1ccncc1C#N ZINC001047955433 1218205735 /nfs/dbraw/zinc/20/57/35/1218205735.db2.gz FNDSKKTXCFGUKA-RHSMWYFYSA-N 0 3 354.414 0.616 20 30 FCEDHN CC#CCN1C[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)C[C@@H]2C1 ZINC001049055242 1218369384 /nfs/dbraw/zinc/36/93/84/1218369384.db2.gz ZYQKVVMVDZEIAR-XDNAFOTISA-N 0 3 359.470 0.570 20 30 FCEDHN C#CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC(C)(C)C ZINC001225789311 1225824178 /nfs/dbraw/zinc/82/41/78/1225824178.db2.gz QZVZQKWLEKOYHI-HUUCEWRRSA-N 0 3 364.490 0.305 20 30 FCEDHN C[C@H]1CCN(CC(=O)N2C[C@H]3CCN(c4ccc(C#N)nn4)C[C@H]3C2)C1 ZINC001049684473 1218520624 /nfs/dbraw/zinc/52/06/24/1218520624.db2.gz DWFCAIRVVHCTHA-XHSDSOJGSA-N 0 3 354.458 0.975 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@@H](C)C(=O)NC2CC2)CC1 ZINC001096605124 1218575155 /nfs/dbraw/zinc/57/51/55/1218575155.db2.gz BRWZVKZXMPXXGH-VLQPXKRTSA-N 0 3 372.513 0.720 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2cn(C)nn2)CC1 ZINC001096608225 1218576003 /nfs/dbraw/zinc/57/60/03/1218576003.db2.gz RCVBCGGZGVZQPK-SQNIBIBYSA-N 0 3 356.474 0.382 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2cncn2C)CC1 ZINC001096608262 1218576483 /nfs/dbraw/zinc/57/64/83/1218576483.db2.gz SVPXLAROPRXQRI-NEWSRXKRSA-N 0 3 355.486 0.987 20 30 FCEDHN N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@H](O)Cn2cccn2)c[nH]1 ZINC001096974672 1218645136 /nfs/dbraw/zinc/64/51/36/1218645136.db2.gz BFFPYOZPSGFHMV-VQHPVUNQSA-N 0 3 354.414 0.479 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001226267349 1225838321 /nfs/dbraw/zinc/83/83/21/1225838321.db2.gz HJMBSKWBBQKUKA-IAOVAPTHSA-N 0 3 357.458 0.596 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1nnn(C(C)(C)C)n1 ZINC001226348515 1225840867 /nfs/dbraw/zinc/84/08/67/1225840867.db2.gz STBFUMPEANVXSQ-CHWSQXEVSA-N 0 3 363.466 0.361 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cncc2[nH]cnc21 ZINC001226342676 1225841047 /nfs/dbraw/zinc/84/10/47/1225841047.db2.gz WZQFENCDIPFJJJ-ZIAGYGMSSA-N 0 3 356.430 0.891 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCc1cc(OC)no1 ZINC001226497358 1225845531 /nfs/dbraw/zinc/84/55/31/1225845531.db2.gz HJGHRRLVLWQTGW-HUUCEWRRSA-N 0 3 362.430 0.382 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccnn1CC(C)C ZINC001226504681 1225845630 /nfs/dbraw/zinc/84/56/30/1225845630.db2.gz ISKHLRDRNGLDHI-HZPDHXFCSA-N 0 3 359.474 0.919 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1(COC)CCOCC1 ZINC001226649301 1225850665 /nfs/dbraw/zinc/85/06/65/1225850665.db2.gz RVZJODNWEPCUHQ-HZPDHXFCSA-N 0 3 367.490 0.749 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCNC(=O)C2CC2)CC1 ZINC001111456608 1218879485 /nfs/dbraw/zinc/87/94/85/1218879485.db2.gz MACPRYMICCTRTF-QRVBRYPASA-N 0 3 372.513 0.579 20 30 FCEDHN C#CCC1(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(N)=O)CCOCC1 ZINC001226696024 1225852383 /nfs/dbraw/zinc/85/23/83/1225852383.db2.gz CUPMIYDTWBMODH-ZIAGYGMSSA-N 0 3 364.446 0.018 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1cc(C2CC2)no1 ZINC001226738405 1225853094 /nfs/dbraw/zinc/85/30/94/1225853094.db2.gz BPOXFCCISGERNB-HZPDHXFCSA-N 0 3 358.442 0.861 20 30 FCEDHN CC(C)(C)N1CC[C@H](NC(=O)C(=O)NCCNc2ncccc2C#N)C1 ZINC000826977562 1218914998 /nfs/dbraw/zinc/91/49/98/1218914998.db2.gz KUFVWIYFGJTWLG-AWEZNQCLSA-N 0 3 358.446 0.470 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1cnn2ccccc12 ZINC001226844951 1225855545 /nfs/dbraw/zinc/85/55/45/1225855545.db2.gz VTCMRXRCCJNPIE-HZPDHXFCSA-N 0 3 368.441 0.534 20 30 FCEDHN Cc1ccn2cnc(C(=O)N[C@@H]3CCCC[C@H]3NCC(=O)NCC#N)c2c1 ZINC001227193423 1225865698 /nfs/dbraw/zinc/86/56/98/1225865698.db2.gz OPKFXEZGOAAOKH-HUUCEWRRSA-N 0 3 368.441 0.913 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cccc(C(N)=O)c1 ZINC001227099379 1225863941 /nfs/dbraw/zinc/86/39/41/1225863941.db2.gz YIQMUTCSEWKEBR-HUUCEWRRSA-N 0 3 357.414 0.056 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)nnc1CC ZINC001227142018 1225864246 /nfs/dbraw/zinc/86/42/46/1225864246.db2.gz LRPNPQJSXLRSKV-IAGOWNOFSA-N 0 3 357.458 0.727 20 30 FCEDHN C=CCOc1ccccc1CNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804053154 1219107292 /nfs/dbraw/zinc/10/72/92/1219107292.db2.gz HMCQBGOEIGPYBB-SJORKVTESA-N 0 3 373.453 0.847 20 30 FCEDHN N#Cc1ccc(F)c(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000804058819 1219112363 /nfs/dbraw/zinc/11/23/63/1219112363.db2.gz GHVCCJUTUWXCDH-HUUCEWRRSA-N 0 3 360.389 0.293 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ncnc2[nH]ccc21 ZINC001227294869 1225870265 /nfs/dbraw/zinc/87/02/65/1225870265.db2.gz RQNPKKYVMCHECW-CHWSQXEVSA-N 0 3 355.402 0.180 20 30 FCEDHN C#CCN1C[C@@H](NC(=O)[C@H]2CCCCN2CCCC)[C@@H](n2ccnn2)C1 ZINC001070073757 1219140080 /nfs/dbraw/zinc/14/00/80/1219140080.db2.gz RJSZRMUJYFALKE-KURKYZTESA-N 0 3 358.490 0.907 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)COCc1ncc(C)o1 ZINC001227418985 1225873691 /nfs/dbraw/zinc/87/36/91/1225873691.db2.gz MCEKVYBEVWCTND-HUUCEWRRSA-N 0 3 364.446 0.819 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc2[nH]ccc2n1 ZINC001227467578 1225875868 /nfs/dbraw/zinc/87/58/68/1225875868.db2.gz IRVCXTLIODRWOO-UKRRQHHQSA-N 0 3 353.426 0.943 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cc([C@@H]3CCCN3C)[nH]n2)C[C@@H]1n1ccnn1 ZINC001070199409 1219289242 /nfs/dbraw/zinc/28/92/42/1219289242.db2.gz XWIZCGVLNICRPV-IKGGRYGDSA-N 0 3 368.445 0.056 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cnc3cc[nH]cc-3c2=O)C[C@@H]1n1ccnn1 ZINC001070203225 1219291043 /nfs/dbraw/zinc/29/10/43/1219291043.db2.gz MVHNDKNXPYUYFG-CVEARBPZSA-N 0 3 365.397 0.356 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C[C@@H]1n1ccnn1 ZINC001070204782 1219292293 /nfs/dbraw/zinc/29/22/93/1219292293.db2.gz RPFZCWQWXCWIEV-ZNMIVQPWSA-N 0 3 360.462 0.453 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ncccc2NC(C)=O)C[C@@H]1n1ccnn1 ZINC001070206497 1219293073 /nfs/dbraw/zinc/29/30/73/1219293073.db2.gz DKJAAOKSYCGWSK-CABCVRRESA-N 0 3 355.402 0.473 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2CCc3ncncc3C2)C[C@@H]1n1ccnn1 ZINC001070209008 1219294514 /nfs/dbraw/zinc/29/45/14/1219294514.db2.gz INGJUIAUGTYXEI-XKQJLSEDSA-N 0 3 353.430 0.401 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cn(-c3ccccc3)nn2)C[C@@H]1n1ccnn1 ZINC001070224868 1219306018 /nfs/dbraw/zinc/30/60/18/1219306018.db2.gz XOTJJFMOPARJKQ-WBVHZDCISA-N 0 3 364.413 0.700 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)c2cc(=O)c(OC)co2)C[C@@H]1n1ccnn1 ZINC001070234881 1219310895 /nfs/dbraw/zinc/31/08/95/1219310895.db2.gz MLIUAXNBFHDKJT-OLZOCXBDSA-N 0 3 359.386 0.471 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cn2ncc3cccnc32)C[C@@H]1n1ccnn1 ZINC001070237007 1219311935 /nfs/dbraw/zinc/31/19/35/1219311935.db2.gz XGXIRSIBXSTPRW-CABCVRRESA-N 0 3 352.402 0.251 20 30 FCEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H](NCCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070249037 1219319550 /nfs/dbraw/zinc/31/95/50/1219319550.db2.gz MIDFWNQATKARPI-CABCVRRESA-N 0 3 358.450 0.514 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cc2c(C)cc(C)[nH]c2=O)C[C@@H]1n1ccnn1 ZINC001070258053 1219327270 /nfs/dbraw/zinc/32/72/70/1219327270.db2.gz BUSQYOYSXKVOKY-CVEARBPZSA-N 0 3 356.430 0.766 20 30 FCEDHN C=C[C@](C)(CC)C(=O)N1C[C@@H](NCCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070267418 1219335274 /nfs/dbraw/zinc/33/52/74/1219335274.db2.gz CCTCASIGIHIOFG-HLLBOEOZSA-N 0 3 358.450 0.514 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2nnn(C)c2C(F)(F)F)C[C@@H]1n1ccnn1 ZINC001070290848 1219352478 /nfs/dbraw/zinc/35/24/78/1219352478.db2.gz NMUWBOKNLYMEIX-ZJUUUORDSA-N 0 3 370.339 0.267 20 30 FCEDHN C#CCCCN1C[C@@]2(F)C(=O)N(CCCN3CCN(C)CC3)C[C@@]2(F)C1 ZINC001276383661 1219357404 /nfs/dbraw/zinc/35/74/04/1219357404.db2.gz GZKLYYQFRXZYND-RBUKOAKNSA-N 0 3 368.472 0.612 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C[C@H]2NC(=O)c3ccccc32)C[C@@H]1n1ccnn1 ZINC001070299851 1219358633 /nfs/dbraw/zinc/35/86/33/1219358633.db2.gz IQHARWLOYULMNO-ZACQAIPSSA-N 0 3 366.425 0.680 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](c2cccnc2)N(C)C)C[C@@H]1n1ccnn1 ZINC001070334647 1219383995 /nfs/dbraw/zinc/38/39/95/1219383995.db2.gz JJKGVGVROVCGHM-IXDOHACOSA-N 0 3 355.446 0.504 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cn2cc(C)cn2)CC1 ZINC001070364967 1219397747 /nfs/dbraw/zinc/39/77/47/1219397747.db2.gz CUAZAFRAIFWBEH-XLIONFOSSA-N 0 3 371.485 0.690 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cn(C)cn2)CC1 ZINC001070369764 1219400492 /nfs/dbraw/zinc/40/04/92/1219400492.db2.gz OHSSIBTVKHGRHV-QAPCUYQASA-N 0 3 357.458 0.532 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(CC#C)CC1 ZINC001070373063 1219402909 /nfs/dbraw/zinc/40/29/09/1219402909.db2.gz XJRDQEVAWRIVKS-HBFSDRIKSA-N 0 3 370.497 0.193 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2coc(OC)n2)CC1 ZINC001070374906 1219403594 /nfs/dbraw/zinc/40/35/94/1219403594.db2.gz DBFYYRQHYLFPEG-CJNGLKHVSA-N 0 3 362.430 0.958 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cn[nH]c(=O)c2)CC1 ZINC001070374190 1219403724 /nfs/dbraw/zinc/40/37/24/1219403724.db2.gz XRXWNCHBEWTXEJ-PBHICJAKSA-N 0 3 359.430 0.457 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@]2(C)CNC(=O)C2)CC1 ZINC001070375229 1219404153 /nfs/dbraw/zinc/40/41/53/1219404153.db2.gz VLTVUTODLPUJLP-DKSSEZFCSA-N 0 3 362.474 0.174 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cc2ncc[nH]2)CC1 ZINC001070380410 1219405857 /nfs/dbraw/zinc/40/58/57/1219405857.db2.gz FDCCITVQKZTBNN-BEFAXECRSA-N 0 3 357.458 0.451 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cc2cncn2C)CC1 ZINC001070381757 1219406914 /nfs/dbraw/zinc/40/69/14/1219406914.db2.gz UCRNBRFOMCYLEO-APWZRJJASA-N 0 3 359.474 0.624 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cc2[nH]cnc2C)CC1 ZINC001070382803 1219407616 /nfs/dbraw/zinc/40/76/16/1219407616.db2.gz RNVRQYJDCXRAAC-UZLBHIALSA-N 0 3 371.485 0.759 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cn2ccnc2)CC1 ZINC001070384664 1219408412 /nfs/dbraw/zinc/40/84/12/1219408412.db2.gz CLDNDANWJVXSTC-APWZRJJASA-N 0 3 357.458 0.382 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CCn2ccccc2=O)C[C@H]1c1cn(C)cn1 ZINC001070497308 1219439284 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C#CCOCCOCCN[C@H]1C[C@H](C(=O)OC)N(C(=O)OC(C)(C)C)C1 ZINC001256257686 1259940922 /nfs/dbraw/zinc/94/09/22/1259940922.db2.gz BQJPSJURMGLPOB-LSDHHAIUSA-N 0 3 370.446 0.793 20 30 FCEDHN N#Cc1ccc([C@@H](O)CN[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC001336785656 1260222838 /nfs/dbraw/zinc/22/28/38/1260222838.db2.gz QSINCLYQUYTMTD-ROUUACIJSA-N 0 3 358.442 0.114 20 30 FCEDHN Cn1cc(CN2CC[C@]3(C2)CCCN(C(=O)CNC(N)=O)C3)cc1C#N ZINC001272057534 1260458015 /nfs/dbraw/zinc/45/80/15/1260458015.db2.gz BHJAYDBDXIWKFU-SFHVURJKSA-N 0 3 358.446 0.380 20 30 FCEDHN N#CC1(NC(=O)c2n[nH]c3c2CN(C(=O)Cc2cnc[nH]2)CC3)CCC1 ZINC001272971580 1260544010 /nfs/dbraw/zinc/54/40/10/1260544010.db2.gz REBLJGMMTBTDNF-UHFFFAOYSA-N 0 3 353.386 0.436 20 30 FCEDHN C#CCN1C[C@@]2(CCN(Cc3cc(OC)c(OC)cc3O)C2)OCC1=O ZINC001277813482 1260671794 /nfs/dbraw/zinc/67/17/94/1260671794.db2.gz PDFDTPHYTHMRAF-IBGZPJMESA-N 0 3 360.410 0.846 20 30 FCEDHN N#CC1(C(=O)N2C[C@@H]3CCN(CCN4CCOCC4)[C@@H]3C2)CCOCC1 ZINC001279245760 1260809428 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0.864 20 30 FCEDHN C=C[C@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001325100231 1264775749 /nfs/dbraw/zinc/77/57/49/1264775749.db2.gz QVLIVSYRERRHPC-JKSUJKDBSA-N 0 3 362.474 0.319 20 30 FCEDHN C#CCOc1ccccc1CNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC001325390910 1264869945 /nfs/dbraw/zinc/86/99/45/1264869945.db2.gz CTVDGLYTAMSTCL-DZGCQCFKSA-N 0 3 359.426 0.544 20 30 FCEDHN C=CCOCc1[nH]c(=O)n(-c2ccc(Cc3[nH]c(O)nc3O)cc2)c1O ZINC001326167917 1265073539 /nfs/dbraw/zinc/07/35/39/1265073539.db2.gz IBYCIJHTGPSVEH-OLZOCXBDSA-N 0 3 358.354 0.065 20 30 FCEDHN C[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001580406878 1278245525 /nfs/dbraw/zinc/24/55/25/1278245525.db2.gz BUPLGROKQRZSHN-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)c1c[nH]c(C#N)c1 ZINC001580406912 1278245952 /nfs/dbraw/zinc/24/59/52/1278245952.db2.gz DMEXDEOOJQNFOJ-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)c1c[nH]c(C#N)c1 ZINC001580406912 1278245963 /nfs/dbraw/zinc/24/59/63/1278245963.db2.gz DMEXDEOOJQNFOJ-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)C(C)C ZINC001326389549 1265102865 /nfs/dbraw/zinc/10/28/65/1265102865.db2.gz XFWCLFBDMANGLD-LPHOPBHVSA-N 0 3 362.474 0.678 20 30 FCEDHN Cc1cc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)ncc1C#N ZINC001327619376 1265377153 /nfs/dbraw/zinc/37/71/53/1265377153.db2.gz NPXQEEMJPOJZLJ-UHFFFAOYSA-N 0 3 358.446 0.296 20 30 FCEDHN C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC001333041842 1266528284 /nfs/dbraw/zinc/52/82/84/1266528284.db2.gz QIOYNXRIQQGSKP-SJORKVTESA-N 0 3 374.485 0.108 20 30 FCEDHN CC(=O)N1CCN(CCNCCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC001338450093 1267944379 /nfs/dbraw/zinc/94/43/79/1267944379.db2.gz RGRCJZBUYDDWFR-UHFFFAOYSA-N 0 3 364.471 0.086 20 30 FCEDHN C=CCn1c(CCc2nnn[n-]2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001338722354 1268061752 /nfs/dbraw/zinc/06/17/52/1268061752.db2.gz JHGUHSIKMGRLCX-CQSZACIVSA-N 0 3 359.482 0.931 20 30 FCEDHN C=CCn1c(CCc2nnn[n-]2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC001338722354 1268061765 /nfs/dbraw/zinc/06/17/65/1268061765.db2.gz JHGUHSIKMGRLCX-CQSZACIVSA-N 0 3 359.482 0.931 20 30 FCEDHN C=CCn1c(CCc2nn[n-]n2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001338722354 1268061779 /nfs/dbraw/zinc/06/17/79/1268061779.db2.gz JHGUHSIKMGRLCX-CQSZACIVSA-N 0 3 359.482 0.931 20 30 FCEDHN C=CCn1c(CCc2nn[n-]n2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC001338722354 1268061789 /nfs/dbraw/zinc/06/17/89/1268061789.db2.gz JHGUHSIKMGRLCX-CQSZACIVSA-N 0 3 359.482 0.931 20 30 FCEDHN C=CCn1c(C2CC(O)C2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001338858361 1268108027 /nfs/dbraw/zinc/10/80/27/1268108027.db2.gz ZPQRSLFYNUCJGE-GPANFISMSA-N 0 3 374.489 0.445 20 30 FCEDHN Cn1cc(C#N)cc1-c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C ZINC001339801948 1268334199 /nfs/dbraw/zinc/33/41/99/1268334199.db2.gz KNHJGRLULNTIPJ-AWEZNQCLSA-N 0 3 355.446 0.851 20 30 FCEDHN COCCn1c([C@H]2CCCN(C)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001341100055 1268784038 /nfs/dbraw/zinc/78/40/38/1268784038.db2.gz PXFBSKZCMUJRCR-RDJZCZTQSA-N 0 3 373.505 0.910 20 30 FCEDHN C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001341317007 1268935724 /nfs/dbraw/zinc/93/57/24/1268935724.db2.gz XHPKBCDZPHPESL-INIZCTEOSA-N 0 3 374.489 0.616 20 30 FCEDHN C#CCN1CCC(c2nnc(N3CCN(CCOCC)CC3)n2C)CC1 ZINC001341470244 1269017343 /nfs/dbraw/zinc/01/73/43/1269017343.db2.gz ZLDASYDXQWLYPS-UHFFFAOYSA-N 0 3 360.506 0.786 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CC[C@H](OCCOCC)C2)CC1 ZINC001341899336 1269259262 /nfs/dbraw/zinc/25/92/62/1269259262.db2.gz QDGPVWODZVMVSG-INIZCTEOSA-N 0 3 353.463 0.407 20 30 FCEDHN CCn1c(CCCC#N)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001342846482 1269639446 /nfs/dbraw/zinc/63/94/46/1269639446.db2.gz JAJWHKHJKVAKEC-OAHLLOKOSA-N 0 3 359.478 0.887 20 30 FCEDHN C=C(C)Cn1c(C2CCN(CCO)CC2)nnc1N(C)CCNC(C)=O ZINC001342880212 1269660465 /nfs/dbraw/zinc/66/04/65/1269660465.db2.gz IFKDZEASONDTKI-UHFFFAOYSA-N 0 3 364.494 0.598 20 30 FCEDHN C=CCN(C)CCN(CC)C(=O)[C@]1(C(=O)OC(C)(C)C)CNCCO1 ZINC001574921251 1271679687 /nfs/dbraw/zinc/67/96/87/1271679687.db2.gz VYDQNDJUJICCTO-SFHVURJKSA-N 0 3 355.479 0.653 20 30 FCEDHN C=CCN(C)CCN(CC)C(=O)[C@@]1(C(=O)OC(C)(C)C)CNCCO1 ZINC001574921250 1271680402 /nfs/dbraw/zinc/68/04/02/1271680402.db2.gz VYDQNDJUJICCTO-GOSISDBHSA-N 0 3 355.479 0.653 20 30 FCEDHN CC#CC[C@H](N)C(=O)N1CCN(c2nc(C(=O)OCC)cs2)CC1 ZINC001574962975 1271685866 /nfs/dbraw/zinc/68/58/66/1271685866.db2.gz PPCRWBTZQUNYKC-LBPRGKRZSA-N 0 3 350.444 0.709 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCCCCc2c[nH]nn2)C1 ZINC001575004841 1271690410 /nfs/dbraw/zinc/69/04/10/1271690410.db2.gz NMGHBVGXZNQJMQ-GOEBONIOSA-N 0 3 360.462 0.236 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@H]1Cc2ccccc2CN1CCc1c[nH]nn1 ZINC001575013752 1271694500 /nfs/dbraw/zinc/69/45/00/1271694500.db2.gz SZUMUIDXDOATJD-DNVCBOLYSA-N 0 3 367.453 0.929 20 30 FCEDHN C=CC(C)(C)CC(=O)N1CC[C@@H]2[C@H](CCN2CC(=O)NCc2cn[nH]n2)C1 ZINC001575066431 1271706161 /nfs/dbraw/zinc/70/61/61/1271706161.db2.gz SPENPSXRAXVUQL-GDBMZVCRSA-N 0 3 374.489 0.946 20 30 FCEDHN C=CC(C)(C)CC(=O)N1CC[C@@H]2[C@H](CCN2CC(=O)NCc2c[nH]nn2)C1 ZINC001575066431 1271706171 /nfs/dbraw/zinc/70/61/71/1271706171.db2.gz SPENPSXRAXVUQL-GDBMZVCRSA-N 0 3 374.489 0.946 20 30 FCEDHN C=CC(C)(C)CC(=O)NC[C@@H]1CN(CC(=O)NCc2c[nH]nn2)C[C@H]1C ZINC001575072583 1271708716 /nfs/dbraw/zinc/70/87/16/1271708716.db2.gz KJNRFOLCARPCPE-ZIAGYGMSSA-N 0 3 362.478 0.707 20 30 FCEDHN C=CCCn1cc(C(=O)N[C@H]2CC[C@H](C)N(CCc3c[nH]nn3)C2)nn1 ZINC001575099950 1271720225 /nfs/dbraw/zinc/72/02/25/1271720225.db2.gz GYBXXKGNCSYCIS-ZFWWWQNUSA-N 0 3 358.450 0.798 20 30 FCEDHN CC#CCN1CCN(CCCNC(=O)c2ccc(-c3cn[nH]n3)cn2)CC1 ZINC001575123425 1271734074 /nfs/dbraw/zinc/73/40/74/1271734074.db2.gz SEVSMSWUALVTFP-UHFFFAOYSA-N 0 3 367.457 0.628 20 30 FCEDHN CC#CCN1CCC(N(Cc2c[nH]nn2)C(=O)c2cnn3cc[nH]c23)CC1 ZINC001575123853 1271735536 /nfs/dbraw/zinc/73/55/36/1271735536.db2.gz XIWCFYPAXVUXBL-UHFFFAOYSA-N 0 3 366.429 0.911 20 30 FCEDHN CCCN(C)C(=O)[C@@H]1CSCN1C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC001577495525 1274452037 /nfs/dbraw/zinc/45/20/37/1274452037.db2.gz NXYJDKZLRXVCEZ-DLOXAQCQSA-N 0 3 350.488 0.896 20 30 FCEDHN CC[N@H+](CCNC(=O)[C@H](C)C#N)Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001577924220 1275136103 /nfs/dbraw/zinc/13/61/03/1275136103.db2.gz XCIIBALSYCREDD-GFCCVEGCSA-N 0 3 357.418 0.973 20 30 FCEDHN CC[N@@H+](CCNC(=O)[C@H](C)C#N)Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001577924220 1275136109 /nfs/dbraw/zinc/13/61/09/1275136109.db2.gz XCIIBALSYCREDD-GFCCVEGCSA-N 0 3 357.418 0.973 20 30 FCEDHN CN(C)S(=O)(=O)C[C@H](NC(=O)[C@H](N)CCCCC#N)C(F)(F)F ZINC001578420720 1275789802 /nfs/dbraw/zinc/78/98/02/1275789802.db2.gz UBCFKJCTIIBVAF-ZJUUUORDSA-N 0 3 358.386 0.336 20 30 FCEDHN CN1CCC([N@@H+]2CC[C@H](Nc3cnc(C#N)c(-c4nnn[n-]4)n3)C2)CC1 ZINC001579348704 1277203414 /nfs/dbraw/zinc/20/34/14/1277203414.db2.gz GDNWKGABQSYUEV-NSHDSACASA-N 0 3 354.422 0.109 20 30 FCEDHN CN1CCC([N@H+]2CC[C@H](Nc3cnc(C#N)c(-c4nnn[n-]4)n3)C2)CC1 ZINC001579348704 1277203416 /nfs/dbraw/zinc/20/34/16/1277203416.db2.gz GDNWKGABQSYUEV-NSHDSACASA-N 0 3 354.422 0.109 20 30 FCEDHN CN1CCC([N@@H+]2CC[C@H](Nc3cnc(C#N)c(-c4nn[n-]n4)n3)C2)CC1 ZINC001579348704 1277203422 /nfs/dbraw/zinc/20/34/22/1277203422.db2.gz GDNWKGABQSYUEV-NSHDSACASA-N 0 3 354.422 0.109 20 30 FCEDHN CN1CCC([N@H+]2CC[C@H](Nc3cnc(C#N)c(-c4nn[n-]n4)n3)C2)CC1 ZINC001579348704 1277203424 /nfs/dbraw/zinc/20/34/24/1277203424.db2.gz GDNWKGABQSYUEV-NSHDSACASA-N 0 3 354.422 0.109 20 30 FCEDHN CN(c1cnc(C#N)c(-c2nn[n-]n2)n1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001579350033 1277205052 /nfs/dbraw/zinc/20/50/52/1277205052.db2.gz WNNVYLOMRLPWMJ-CYBMUJFWSA-N 0 3 368.449 0.133 20 30 FCEDHN CN(c1cnc(C#N)c(-c2nn[n-]n2)n1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001579350033 1277205056 /nfs/dbraw/zinc/20/50/56/1277205056.db2.gz WNNVYLOMRLPWMJ-CYBMUJFWSA-N 0 3 368.449 0.133 20 30 FCEDHN COCC#CC[NH2+]CCC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001579619625 1277668907 /nfs/dbraw/zinc/66/89/07/1277668907.db2.gz UKGJXIKGYZTCPJ-UHFFFAOYSA-N 0 3 371.445 0.677 20 30 FCEDHN COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C)C#N)C2)cc1-c1nnn[n-]1 ZINC001580019510 1277991970 /nfs/dbraw/zinc/99/19/70/1277991970.db2.gz FPCCEVODNHPWBX-AAEUAGOBSA-N 0 3 355.402 0.725 20 30 FCEDHN N#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nnn[n-]5)cc4)C[C@H]32)[nH]1 ZINC001581868977 1280624470 /nfs/dbraw/zinc/62/44/70/1280624470.db2.gz CGNGKGCYXLNSIM-QLPKVWCKSA-N 0 3 374.408 0.927 20 30 FCEDHN N#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5nnn[n-]5)cc4)C[C@H]32)[nH]1 ZINC001581868977 1280624478 /nfs/dbraw/zinc/62/44/78/1280624478.db2.gz CGNGKGCYXLNSIM-QLPKVWCKSA-N 0 3 374.408 0.927 20 30 FCEDHN C#C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1-c1nnn[n-]1)C1CCOCC1 ZINC001588328563 1282421055 /nfs/dbraw/zinc/42/10/55/1282421055.db2.gz KPNONDGZIUIXQI-GDBMZVCRSA-N 0 3 357.414 0.624 20 30 FCEDHN C#C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1-c1nn[n-]n1)C1CCOCC1 ZINC001588328563 1282421057 /nfs/dbraw/zinc/42/10/57/1282421057.db2.gz KPNONDGZIUIXQI-GDBMZVCRSA-N 0 3 357.414 0.624 20 30 FCEDHN C#CC[N@H+](C)CCCNS(=O)(=O)Cc1csc(-c2nnn[n-]2)c1 ZINC001588349651 1282445178 /nfs/dbraw/zinc/44/51/78/1282445178.db2.gz URKMZBQYFFCWPZ-UHFFFAOYSA-N 0 3 354.461 0.303 20 30 FCEDHN C#CC[N@@H+](C)CCCNS(=O)(=O)Cc1csc(-c2nnn[n-]2)c1 ZINC001588349651 1282445181 /nfs/dbraw/zinc/44/51/81/1282445181.db2.gz URKMZBQYFFCWPZ-UHFFFAOYSA-N 0 3 354.461 0.303 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CC2 ZINC001588354055 1282448928 /nfs/dbraw/zinc/44/89/28/1282448928.db2.gz OBRCMCDRLTUUIP-AWEZNQCLSA-N 0 3 369.429 0.429 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CC2 ZINC001588354055 1282448932 /nfs/dbraw/zinc/44/89/32/1282448932.db2.gz OBRCMCDRLTUUIP-AWEZNQCLSA-N 0 3 369.429 0.429 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC/C=C\C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588356700 1282461705 /nfs/dbraw/zinc/46/17/05/1282461705.db2.gz FEYHBPUFQBVNIL-DSYXLKISSA-N 0 3 372.404 0.806 20 30 FCEDHN C#CCOCCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588359151 1282472963 /nfs/dbraw/zinc/47/29/63/1282472963.db2.gz IFHPKMRKCDOPPC-MRXNPFEDSA-N 0 3 368.441 0.987 20 30 FCEDHN C#CCOCCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001588359151 1282472965 /nfs/dbraw/zinc/47/29/65/1282472965.db2.gz IFHPKMRKCDOPPC-MRXNPFEDSA-N 0 3 368.441 0.987 20 30 FCEDHN C#CCOCCC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588359256 1282475439 /nfs/dbraw/zinc/47/54/39/1282475439.db2.gz JEGJPQPDSOHNCK-IBGZPJMESA-N 0 3 368.441 0.987 20 30 FCEDHN C#CCOCCC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588359256 1282475443 /nfs/dbraw/zinc/47/54/43/1282475443.db2.gz JEGJPQPDSOHNCK-IBGZPJMESA-N 0 3 368.441 0.987 20 30 FCEDHN C#CCOCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001588362678 1282487063 /nfs/dbraw/zinc/48/70/63/1282487063.db2.gz PSDMGFOYBRXDOU-HDJSIYSDSA-N 0 3 372.404 0.783 20 30 FCEDHN C#CCOCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001588362678 1282487072 /nfs/dbraw/zinc/48/70/72/1282487072.db2.gz PSDMGFOYBRXDOU-HDJSIYSDSA-N 0 3 372.404 0.783 20 30 FCEDHN C=C(CC[NH+](C)C)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001588444139 1282508312 /nfs/dbraw/zinc/50/83/12/1282508312.db2.gz MMTVDIYVNOJCSB-UHFFFAOYSA-N 0 3 370.461 0.855 20 30 FCEDHN C=C(CC[NH+](C)C)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001588444139 1282508319 /nfs/dbraw/zinc/50/83/19/1282508319.db2.gz MMTVDIYVNOJCSB-UHFFFAOYSA-N 0 3 370.461 0.855 20 30 FCEDHN C=CC(C)(C)C(=O)N(CCO)CC[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588468188 1282513513 /nfs/dbraw/zinc/51/35/13/1282513513.db2.gz IWRASPRNWIMMSX-UHFFFAOYSA-N 0 3 358.446 0.989 20 30 FCEDHN C=CC(C)(C)C(=O)N(CCO)CC[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001588468188 1282513524 /nfs/dbraw/zinc/51/35/24/1282513524.db2.gz IWRASPRNWIMMSX-UHFFFAOYSA-N 0 3 358.446 0.989 20 30 FCEDHN C=CCCC[C@@H]([NH3+])C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001588593931 1282578448 /nfs/dbraw/zinc/57/84/48/1282578448.db2.gz JCCRQCPOBKAPGD-CQSZACIVSA-N 0 3 356.434 0.594 20 30 FCEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC001588639733 1282605955 /nfs/dbraw/zinc/60/59/55/1282605955.db2.gz WISVMQARRXEWJX-HNNXBMFYSA-N 0 3 369.429 0.250 20 30 FCEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC001588639733 1282605964 /nfs/dbraw/zinc/60/59/64/1282605964.db2.gz WISVMQARRXEWJX-HNNXBMFYSA-N 0 3 369.429 0.250 20 30 FCEDHN C=CCN1CC[C@H]([NH2+][C@H](C)CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1=O ZINC001588657653 1282607659 /nfs/dbraw/zinc/60/76/59/1282607659.db2.gz SDDYAVLLYRQNEB-RISCZKNCSA-N 0 3 372.433 0.080 20 30 FCEDHN C=CCN1CCC([NH2+]C[C@@H](O)COc2ccccc2-c2nnn[n-]2)CC1 ZINC001588657733 1282608923 /nfs/dbraw/zinc/60/89/23/1282608923.db2.gz VHMCYYQAUCCEPS-OAHLLOKOSA-N 0 3 358.446 0.846 20 30 FCEDHN C=CCN1CCC([NH2+]C[C@@H](O)COc2ccccc2-c2nn[n-]n2)CC1 ZINC001588657733 1282608936 /nfs/dbraw/zinc/60/89/36/1282608936.db2.gz VHMCYYQAUCCEPS-OAHLLOKOSA-N 0 3 358.446 0.846 20 30 FCEDHN C=CCN1CC[C@@H]([NH2+]CCCN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1=O ZINC001588657551 1282610345 /nfs/dbraw/zinc/61/03/45/1282610345.db2.gz PUOKWXSIKUXAOJ-CYBMUJFWSA-N 0 3 372.433 0.033 20 30 FCEDHN C=CCN1CC[C@@H]([NH2+]CCCN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1=O ZINC001588657551 1282610352 /nfs/dbraw/zinc/61/03/52/1282610352.db2.gz PUOKWXSIKUXAOJ-CYBMUJFWSA-N 0 3 372.433 0.033 20 30 FCEDHN C=CCOCC[NH2+][C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1C ZINC001588683441 1282643297 /nfs/dbraw/zinc/64/32/97/1282643297.db2.gz SGJMSOGMBFXZTO-STQMWFEESA-N 0 3 359.434 0.838 20 30 FCEDHN C=CCOCC[NH2+][C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C ZINC001588683441 1282643312 /nfs/dbraw/zinc/64/33/12/1282643312.db2.gz SGJMSOGMBFXZTO-STQMWFEESA-N 0 3 359.434 0.838 20 30 FCEDHN C=CCOCC[NH+]1CCC(C)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001588682577 1282644786 /nfs/dbraw/zinc/64/47/86/1282644786.db2.gz HWKIRUMBRLPKKG-UHFFFAOYSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCOCC[N@H+]1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C ZINC001588683444 1282646168 /nfs/dbraw/zinc/64/61/68/1282646168.db2.gz SSAAEQOMJVXXBQ-GXTWGEPZSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C ZINC001588683444 1282646179 /nfs/dbraw/zinc/64/61/79/1282646179.db2.gz SSAAEQOMJVXXBQ-GXTWGEPZSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[N@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C ZINC001588683444 1282646189 /nfs/dbraw/zinc/64/61/89/1282646189.db2.gz SSAAEQOMJVXXBQ-GXTWGEPZSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C ZINC001588683444 1282646201 /nfs/dbraw/zinc/64/62/01/1282646201.db2.gz SSAAEQOMJVXXBQ-GXTWGEPZSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588683579 1282648528 /nfs/dbraw/zinc/64/85/28/1282648528.db2.gz ZFTPENYMXJSKIA-CYBMUJFWSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[N@H+]1CCC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588683579 1282648538 /nfs/dbraw/zinc/64/85/38/1282648538.db2.gz ZFTPENYMXJSKIA-CYBMUJFWSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588683579 1282648553 /nfs/dbraw/zinc/64/85/53/1282648553.db2.gz ZFTPENYMXJSKIA-CYBMUJFWSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[N@H+]1CCC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588683579 1282648572 /nfs/dbraw/zinc/64/85/72/1282648572.db2.gz ZFTPENYMXJSKIA-CYBMUJFWSA-N 0 3 359.434 0.839 20 30 FCEDHN CC#CCCCC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588740893 1282682434 /nfs/dbraw/zinc/68/24/34/1282682434.db2.gz ZHWDSEUBNKCVJF-AWEZNQCLSA-N 0 3 374.420 0.766 20 30 FCEDHN C[C@H](CNC(=O)CSCC#N)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589871408 1283103850 /nfs/dbraw/zinc/10/38/50/1283103850.db2.gz WOSRZDLVWMGLIP-LBPRGKRZSA-N 0 3 359.459 0.965 20 30 FCEDHN C[C@H](CNC(=O)CSCC#N)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589871408 1283103858 /nfs/dbraw/zinc/10/38/58/1283103858.db2.gz WOSRZDLVWMGLIP-LBPRGKRZSA-N 0 3 359.459 0.965 20 30 FCEDHN C[C@H](CNC(=O)CSCC#N)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001589874485 1283104137 /nfs/dbraw/zinc/10/41/37/1283104137.db2.gz SUFUFFDBGJQUAK-LBPRGKRZSA-N 0 3 359.459 0.965 20 30 FCEDHN C[C@H](CNC(=O)CSCC#N)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001589874485 1283104140 /nfs/dbraw/zinc/10/41/40/1283104140.db2.gz SUFUFFDBGJQUAK-LBPRGKRZSA-N 0 3 359.459 0.965 20 30 FCEDHN COCC#CC[NH2+]C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCCC1 ZINC001591360178 1284493702 /nfs/dbraw/zinc/49/37/02/1284493702.db2.gz ALWZMWZWDFPEQR-INIZCTEOSA-N 0 3 371.445 0.723 20 30 FCEDHN COCC#CC[NH2+][C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C ZINC001591360138 1284493917 /nfs/dbraw/zinc/49/39/17/1284493917.db2.gz ACQOBLCLRHIOTP-GXTWGEPZSA-N 0 3 357.418 0.285 20 30 FCEDHN COCC#CC[NH2+][C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C ZINC001591360138 1284493921 /nfs/dbraw/zinc/49/39/21/1284493921.db2.gz ACQOBLCLRHIOTP-GXTWGEPZSA-N 0 3 357.418 0.285 20 30 FCEDHN COCC#CC[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@@H]1C ZINC001591360457 1284496783 /nfs/dbraw/zinc/49/67/83/1284496783.db2.gz DAYOBUFNQXINCA-ZFWWWQNUSA-N 0 3 371.445 0.532 20 30 FCEDHN COCC#CC[NH2+]CC[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001591361404 1284497726 /nfs/dbraw/zinc/49/77/26/1284497726.db2.gz LIMCMQUAMSEVKN-CQSZACIVSA-N 0 3 371.445 0.677 20 30 FCEDHN N#CCSCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001592680605 1285579096 /nfs/dbraw/zinc/57/90/96/1285579096.db2.gz WAUGCPHFAMXJLY-CYBMUJFWSA-N 0 3 357.443 0.814 20 30 FCEDHN N#CCSCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001592680605 1285579099 /nfs/dbraw/zinc/57/90/99/1285579099.db2.gz WAUGCPHFAMXJLY-CYBMUJFWSA-N 0 3 357.443 0.814 20 30 FCEDHN CNC(NCCCc1nn(-c2ccccc2)c(N)c1-c1nnn[n-]1)=[NH+]C ZINC001609285953 1289051082 /nfs/dbraw/zinc/05/10/82/1289051082.db2.gz GBBLAVNTEFGMJX-UHFFFAOYSA-N 0 3 354.422 0.362 20 30 FCEDHN C#CCC1([NH2+]C[C@H](O)COc2ccccc2-c2nnn[n-]2)CCOCC1 ZINC001602700076 1287063613 /nfs/dbraw/zinc/06/36/13/1287063613.db2.gz QQUCMICLLSRASS-AWEZNQCLSA-N 0 3 357.414 0.769 20 30 FCEDHN C#CCC1([NH2+]C[C@H](O)COc2ccccc2-c2nn[n-]n2)CCOCC1 ZINC001602700076 1287063621 /nfs/dbraw/zinc/06/36/21/1287063621.db2.gz QQUCMICLLSRASS-AWEZNQCLSA-N 0 3 357.414 0.769 20 30 FCEDHN C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001602716334 1287073399 /nfs/dbraw/zinc/07/33/99/1287073399.db2.gz CZCOQSDROXWNJV-UHFFFAOYSA-N 0 3 352.395 0.239 20 30 FCEDHN C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001602716334 1287073414 /nfs/dbraw/zinc/07/34/14/1287073414.db2.gz CZCOQSDROXWNJV-UHFFFAOYSA-N 0 3 352.395 0.239 20 30 FCEDHN COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)cc1-c1nnn[n-]1 ZINC001605284339 1287922125 /nfs/dbraw/zinc/92/21/25/1287922125.db2.gz SIVHTBLXIATLAF-OCCSQVGLSA-N 0 3 369.429 0.973 20 30 FCEDHN COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)cc1-c1nn[n-]n1 ZINC001605284339 1287922130 /nfs/dbraw/zinc/92/21/30/1287922130.db2.gz SIVHTBLXIATLAF-OCCSQVGLSA-N 0 3 369.429 0.973 20 30 FCEDHN N#Cc1ccc([C@@H](C(=O)[O-])N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC001608199273 1288788815 /nfs/dbraw/zinc/78/88/15/1288788815.db2.gz AANGVRYYILPUBP-FZKCQIBNSA-N 0 3 356.382 0.551 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@H]2CCN(C(=O)CC)C2)C[C@H]1c1cnn(C)c1 ZINC001691978661 1289355672 /nfs/dbraw/zinc/35/56/72/1289355672.db2.gz OYDVSNPWSPACSX-RYQLBKOJSA-N 0 3 371.485 0.586 20 30 FCEDHN C=CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001692079441 1289386087 /nfs/dbraw/zinc/38/60/87/1289386087.db2.gz PFAVYMIFWMVNCF-DDVYYSQMSA-N 0 3 361.486 0.929 20 30 FCEDHN COCC#CCN1CC[C@@H]2CN(C(=O)Cc3nc4ncccn4n3)C[C@@H]2C1 ZINC001692084776 1289390962 /nfs/dbraw/zinc/39/09/62/1289390962.db2.gz LNNBLFHIGMQFJK-CVEARBPZSA-N 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C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573287039 946826251 /nfs/dbraw/zinc/82/62/51/946826251.db2.gz KSMGBOFGGWJJHP-GOEBONIOSA-N 0 3 368.441 0.843 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573287039 946826263 /nfs/dbraw/zinc/82/62/63/946826263.db2.gz KSMGBOFGGWJJHP-GOEBONIOSA-N 0 3 368.441 0.843 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573287039 946826272 /nfs/dbraw/zinc/82/62/72/946826272.db2.gz KSMGBOFGGWJJHP-GOEBONIOSA-N 0 3 368.441 0.843 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573287039 946826284 /nfs/dbraw/zinc/82/62/84/946826284.db2.gz KSMGBOFGGWJJHP-GOEBONIOSA-N 0 3 368.441 0.843 20 30 FCEDHN C[C@H](C#N)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573561871 946968055 /nfs/dbraw/zinc/96/80/55/946968055.db2.gz OBOOBTMIKYKBMM-ZYHUDNBSSA-N 0 3 361.381 0.074 20 30 FCEDHN C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@@H]2C1 ZINC001573570672 947091427 /nfs/dbraw/zinc/09/14/27/947091427.db2.gz RRWOCKVVTRQSTC-VBNZEHGJSA-N 0 3 351.414 0.917 20 30 FCEDHN C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@@H]2C1 ZINC001573570672 947091435 /nfs/dbraw/zinc/09/14/35/947091435.db2.gz RRWOCKVVTRQSTC-VBNZEHGJSA-N 0 3 351.414 0.917 20 30 FCEDHN C=C(Cl)CNC[C@@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)C[C@H]1OCC ZINC001691337853 1171144264 /nfs/dbraw/zinc/14/42/64/1171144264.db2.gz MCQIVLIXKGWWTD-IACUBPJLSA-N 0 3 366.911 0.873 20 30 FCEDHN COC(=O)Cn1cc(CCN2CC[C@@H](Oc3ccc(C#N)cn3)C2)nn1 ZINC000292131637 214080267 /nfs/dbraw/zinc/08/02/67/214080267.db2.gz IRWREGYILNSRHS-OAHLLOKOSA-N 0 3 356.386 0.414 20 30 FCEDHN N#Cc1ccc(OC[C@H](O)CN2CCC[C@@H](n3cc(CO)nn3)C2)cc1 ZINC000293007573 214137795 /nfs/dbraw/zinc/13/77/95/214137795.db2.gz PKUNEKAUXJIDED-IAGOWNOFSA-N 0 3 357.414 0.719 20 30 FCEDHN CN1CCCN(c2ccc(NC(=O)C(=O)N3CCO[C@@H](C#N)C3)cc2)CC1 ZINC000264435719 530053917 /nfs/dbraw/zinc/05/39/17/530053917.db2.gz LIOHRKTVQBESEV-KRWDZBQOSA-N 0 3 371.441 0.518 20 30 FCEDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000089856555 530055476 /nfs/dbraw/zinc/05/54/76/530055476.db2.gz ABLHWMYSZNQOKM-GOSISDBHSA-N 0 3 370.453 0.896 20 30 FCEDHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000195155032 530056023 /nfs/dbraw/zinc/05/60/23/530056023.db2.gz DJWDCNNQZAFGSG-OAHLLOKOSA-N 0 3 362.455 0.485 20 30 FCEDHN N#Cc1cccc(NC(=O)C2CCN(C[C@H](O)CN3CCOCC3)CC2)c1 ZINC000331505148 215007139 /nfs/dbraw/zinc/00/71/39/215007139.db2.gz BQMKPBYYHPYLAL-IBGZPJMESA-N 0 3 372.469 0.902 20 30 FCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCN1C(=O)CNC1=O ZINC000264972565 210027452 /nfs/dbraw/zinc/02/74/52/210027452.db2.gz DBLMKUKIQRPKFX-UHFFFAOYSA-N 0 3 372.429 0.183 20 30 FCEDHN CCN1C[C@H](C)N(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)[C@@H](C)C1 ZINC000332372828 215139662 /nfs/dbraw/zinc/13/96/62/215139662.db2.gz FRZFOGKBUQEWCN-GJZGRUSLSA-N 0 3 374.489 0.918 20 30 FCEDHN CC(C)Nc1nc(NCCO)nc(NCCCc2[nH]nc(N)c2C#N)n1 ZINC000285562039 213359068 /nfs/dbraw/zinc/35/90/68/213359068.db2.gz JICJRPDPDBFMAC-UHFFFAOYSA-N 0 3 360.426 0.318 20 30 FCEDHN C[C@@H](CNC(=O)C(=O)N(C)Cc1cccc(C#N)c1)CN1CCN(C)CC1 ZINC000284120189 213078239 /nfs/dbraw/zinc/07/82/39/213078239.db2.gz CUKZTKHATXADJJ-INIZCTEOSA-N 0 3 371.485 0.516 20 30 FCEDHN N#Cc1ccc(CNC(=O)CN2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000367297070 216104731 /nfs/dbraw/zinc/10/47/31/216104731.db2.gz WGWXBVQZUXRXPJ-GOSISDBHSA-N 0 3 369.469 0.589 20 30 FCEDHN N#Cc1cc(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc(N)c1[N+](=O)[O-] ZINC000367325236 216106611 /nfs/dbraw/zinc/10/66/11/216106611.db2.gz BHFVXPQBFBNOAV-OAHLLOKOSA-N 0 3 358.402 0.967 20 30 FCEDHN CCN1CCN(CCNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000192566608 209300965 /nfs/dbraw/zinc/30/09/65/209300965.db2.gz QYMWEZXIDWQMEA-UHFFFAOYSA-N 0 3 374.489 0.807 20 30 FCEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000187392072 209210793 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N#CCCC[C@H](N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000424115386 247170521 /nfs/dbraw/zinc/17/05/21/247170521.db2.gz AJXYQZQRDQKENF-HNNXBMFYSA-N 0 3 359.386 0.900 20 30 FCEDHN N#CCCC[C@H](N)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000424143974 247171919 /nfs/dbraw/zinc/17/19/19/247171919.db2.gz KLRLFUHBJDKYQW-KRWDZBQOSA-N 0 3 363.506 0.848 20 30 FCEDHN CCOC(=O)c1ccc(N2CCN(C(=O)[C@H](N)CCCC#N)CC2)nc1 ZINC000424169588 247173237 /nfs/dbraw/zinc/17/32/37/247173237.db2.gz AFCPDNQOAWQMEB-OAHLLOKOSA-N 0 3 359.430 0.928 20 30 FCEDHN Cc1cc(C#N)cc(NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)c1 ZINC000424445696 247218482 /nfs/dbraw/zinc/21/84/82/247218482.db2.gz GUSSZJZDMVNVBK-JKSUJKDBSA-N 0 3 352.398 0.492 20 30 FCEDHN Cc1cccc(NC(=O)C(=O)N(CCOCCO)CCN(C)C)c1C#N ZINC000439625308 248136141 /nfs/dbraw/zinc/13/61/41/248136141.db2.gz ZESVROBBEGQTPR-UHFFFAOYSA-N 0 3 362.430 0.204 20 30 FCEDHN N#Cc1cnn(-c2ccc(C(=O)NC[C@@H]3CCCN3CCCO)cc2)c1N ZINC000452348118 249310551 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/nfs/dbraw/zinc/53/68/99/491536899.db2.gz XIVZTLDZTMNKLL-NSHDSACASA-N 0 3 351.384 0.170 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCCN2CCOC(C)(C)C2)CC1 ZINC000575191651 491544435 /nfs/dbraw/zinc/54/44/35/491544435.db2.gz UELOSZWZLDFKOU-UHFFFAOYSA-N 0 3 366.506 0.370 20 30 FCEDHN C=C(C)COc1cccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000575196359 491545018 /nfs/dbraw/zinc/54/50/18/491545018.db2.gz KIQUOYUGASIOCG-HOCLYGCPSA-N 0 3 372.425 0.350 20 30 FCEDHN Cc1nc(SCC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(C#N)c(C)c1C ZINC000568416052 491576224 /nfs/dbraw/zinc/57/62/24/491576224.db2.gz LPHDDKIEBALNSC-ZFWWWQNUSA-N 0 3 373.482 0.741 20 30 FCEDHN C[C@@H](CNCCS(=O)(=O)c1ccc(C#N)cn1)CN1CCOCC1 ZINC000576100876 491581374 /nfs/dbraw/zinc/58/13/74/491581374.db2.gz HJJSSDDPOMCBNX-AWEZNQCLSA-N 0 3 352.460 0.285 20 30 FCEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@@H](CO)C2CCOCC2)CC1 ZINC000576137624 491584704 /nfs/dbraw/zinc/58/47/04/491584704.db2.gz IWISZXJKUXDTEN-DLBZAZTESA-N 0 3 352.479 0.056 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2C[C@@H](C)O[C@]3(CCOC3)C2)CC1 ZINC000561339892 491599105 /nfs/dbraw/zinc/59/91/05/491599105.db2.gz CBHMYTJTGZTHSC-DNVCBOLYSA-N 0 3 365.474 0.550 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000561412485 491605944 /nfs/dbraw/zinc/60/59/44/491605944.db2.gz JBNBQNDGNWCTLQ-IYBDPMFKSA-N 0 3 366.506 0.369 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(Cc3ncc[nH]3)CC2)CC1 ZINC000577958996 491665613 /nfs/dbraw/zinc/66/56/13/491665613.db2.gz MYXYEHYTZOPBMF-UHFFFAOYSA-N 0 3 374.489 0.211 20 30 FCEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@H]2CC[C@H](C(N)=O)CC2)nc1 ZINC000579103184 491691007 /nfs/dbraw/zinc/69/10/07/491691007.db2.gz GXQUBLKVJYXZTD-MQMHXKEQSA-N 0 3 350.444 0.608 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2C[C@H](C)O[C@@]3(CCCOC3)C2)CC1 ZINC000579267234 491694468 /nfs/dbraw/zinc/69/44/68/491694468.db2.gz CUBHCCXRVGGBQJ-KXBFYZLASA-N 0 3 365.474 0.550 20 30 FCEDHN CN1CCC(N2CC[C@H](NC(=O)C(=O)NCc3cccc(C#N)c3)C2)CC1 ZINC000585711648 491723486 /nfs/dbraw/zinc/72/34/86/491723486.db2.gz XBWXJINUPFJBLT-KRWDZBQOSA-N 0 3 369.469 0.459 20 30 FCEDHN COCCN1CCC(NC(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000585775257 491726787 /nfs/dbraw/zinc/72/67/87/491726787.db2.gz XTYOTKOLRHMKGQ-AWEZNQCLSA-N 0 3 358.442 0.962 20 30 FCEDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000585777710 491727099 /nfs/dbraw/zinc/72/70/99/491727099.db2.gz LPZCGTWYGOUBLH-OAGGEKHMSA-N 0 3 363.506 0.573 20 30 FCEDHN C=CCSCCNC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000586813153 491733254 /nfs/dbraw/zinc/73/32/54/491733254.db2.gz OHTGSFWXPJTJFD-HNNXBMFYSA-N 0 3 354.520 0.260 20 30 FCEDHN N#Cc1cc(NCCCCN2CCN(CCO)CC2)cc(N)c1[N+](=O)[O-] ZINC000587978677 491736266 /nfs/dbraw/zinc/73/62/66/491736266.db2.gz QAJYRFLUSHFKRD-UHFFFAOYSA-N 0 3 362.434 0.851 20 30 FCEDHN CN(CCC#N)C[C@H](O)CNCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000581066240 491757924 /nfs/dbraw/zinc/75/79/24/491757924.db2.gz DKSITQMOYLUTFB-GOSISDBHSA-N 0 3 360.458 0.455 20 30 FCEDHN C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccncc1OCCN(C)C ZINC000581847181 491787381 /nfs/dbraw/zinc/78/73/81/491787381.db2.gz XUWDGQFEWNJDJV-ZDUSSCGKSA-N 0 3 355.464 0.590 20 30 FCEDHN CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)C1 ZINC000590984138 491791296 /nfs/dbraw/zinc/79/12/96/491791296.db2.gz XBZQWBVWEMFPRU-INIZCTEOSA-N 0 3 370.457 0.154 20 30 FCEDHN CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)C1 ZINC000590984139 491791389 /nfs/dbraw/zinc/79/13/89/491791389.db2.gz XBZQWBVWEMFPRU-MRXNPFEDSA-N 0 3 370.457 0.154 20 30 FCEDHN CN1CCC(CNC(=O)COc2ccc(C#N)cc2)(N2CCOCC2)CC1 ZINC000591088282 491796248 /nfs/dbraw/zinc/79/62/48/491796248.db2.gz HSKIPQRLIDLMHP-UHFFFAOYSA-N 0 3 372.469 0.850 20 30 FCEDHN C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)[C@@H]1CN ZINC000591583303 491809644 /nfs/dbraw/zinc/80/96/44/491809644.db2.gz JLFGTWCHFORMCU-GOEBONIOSA-N 0 3 370.457 0.188 20 30 FCEDHN C[C@@H](CN1CCN(c2ccccc2)CC1)NC[C@H](O)CN(C)CCC#N ZINC000591742347 491823190 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C=C(C)CCN1C[C@@H](NC(=O)[C@@H](CCC)NC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129407199 1201296486 /nfs/dbraw/zinc/29/64/86/1201296486.db2.gz IFGXCOGHXKOJHY-KFWWJZLASA-N 0 3 363.466 0.423 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)c2cnn3cc[nH]c23)[C@@H](n2ccnn2)C1 ZINC001129404612 1201307552 /nfs/dbraw/zinc/30/75/52/1201307552.db2.gz YSMDIELNZPKMEP-CABCVRRESA-N 0 3 354.418 0.875 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)CCN2CCCC2=O)[C@@H](n2ccnn2)C1 ZINC001129438102 1201316278 /nfs/dbraw/zinc/31/62/78/1201316278.db2.gz OKCQQXZVRYKINK-CVEARBPZSA-N 0 3 360.462 0.598 20 30 FCEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001086622946 1201336856 /nfs/dbraw/zinc/33/68/56/1201336856.db2.gz BFXCOIWWHTVTOJ-JKSUJKDBSA-N 0 3 354.410 0.146 20 30 FCEDHN CC[C@H](C(=O)N[C@@H]1CN(Cc2ccc(OCC#N)cc2)C[C@@H]1O)N(C)C ZINC001219875281 1224666562 /nfs/dbraw/zinc/66/65/62/1224666562.db2.gz XVOZIZYUZVLYIY-KURKYZTESA-N 0 3 360.458 0.590 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2ccncc2F)C[C@@H]1n1ccnn1 ZINC001129704352 1201373421 /nfs/dbraw/zinc/37/34/21/1201373421.db2.gz YYBJNRHIJIYXFR-CVEARBPZSA-N 0 3 360.393 0.670 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)CC2(OC)CCC2)C[C@@H]1n1ccnn1 ZINC001129795704 1201390652 /nfs/dbraw/zinc/39/06/52/1201390652.db2.gz MWKYRKFPTFTXPR-CVEARBPZSA-N 0 3 363.462 0.781 20 30 FCEDHN C=C[C@](C)(O)CC(=O)N1C[C@@H](NCCOCCCC)[C@@H](n2ccnn2)C1 ZINC001129795022 1201391142 /nfs/dbraw/zinc/39/11/42/1201391142.db2.gz AAUVZRNFGNEPNL-RYRKJORJSA-N 0 3 365.478 0.763 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)C2CC(OCC)C2)C[C@@H]1n1ccnn1 ZINC001129803541 1201397808 /nfs/dbraw/zinc/39/78/08/1201397808.db2.gz PUZKBNPAFXRUMO-BACDZXNISA-N 0 3 363.462 0.637 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)[C@@H]2CCCOCC2)C[C@@H]1n1ccnn1 ZINC001129803471 1201398135 /nfs/dbraw/zinc/39/81/35/1201398135.db2.gz MXXLQLGWCTZNCZ-ZACQAIPSSA-N 0 3 363.462 0.639 20 30 FCEDHN C=C(C)CCC(=O)N1C[C@@H](NCCNC(=O)C2CC2)[C@@H](n2ccnn2)C1 ZINC001129881980 1201413010 /nfs/dbraw/zinc/41/30/10/1201413010.db2.gz ZRWRAOLPZSNGLM-CVEARBPZSA-N 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CC#CCCCC(=O)N1C[C@@H](NCCc2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001129972627 1201459235 /nfs/dbraw/zinc/45/92/35/1201459235.db2.gz FSVIEJYTXMNKIW-MSOLQXFVSA-N 0 3 369.473 0.789 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)CCc2ncccn2)C[C@@H]1n1ccnn1 ZINC001130047502 1201486282 /nfs/dbraw/zinc/48/62/82/1201486282.db2.gz DTUSUEBLJNXACR-CVEARBPZSA-N 0 3 371.445 0.245 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2cc3c([nH]2)CCC3)C[C@@H]1n1ccnn1 ZINC001130081174 1201491977 /nfs/dbraw/zinc/49/19/77/1201491977.db2.gz BMNUMGMCOHEPOC-MSOLQXFVSA-N 0 3 370.457 0.953 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@@H](NCCOCC)[C@@H](n3ccnn3)C2)cn1 ZINC001130091539 1201497895 /nfs/dbraw/zinc/49/78/95/1201497895.db2.gz ZHZOEQGYWVCTES-SJORKVTESA-N 0 3 354.414 0.346 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)COc2ccccc2)C[C@@H]1n1ccnn1 ZINC001130102415 1201500810 /nfs/dbraw/zinc/50/08/10/1201500810.db2.gz YCSKOSOZDSUPHR-MSOLQXFVSA-N 0 3 371.441 0.901 20 30 FCEDHN C=C[C@H](CC(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1)c1ccccc1 ZINC001130133975 1201513759 /nfs/dbraw/zinc/51/37/59/1201513759.db2.gz LUNCJZRMBIPGFA-NXHRZFHOSA-N 0 3 355.442 0.972 20 30 FCEDHN C=CCO[C@H](C)C(=O)N1C[C@@H](NCCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001130151386 1201517389 /nfs/dbraw/zinc/51/73/89/1201517389.db2.gz OVGGGVSFVDPTCS-OIISXLGYSA-N 0 3 363.462 0.780 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](CCC(C)C)NC(C)=O)C[C@@H]1n1ccnn1 ZINC001130163519 1201520567 /nfs/dbraw/zinc/52/05/67/1201520567.db2.gz LFEHGEAOCRMABI-ZACQAIPSSA-N 0 3 362.478 0.747 20 30 FCEDHN C[C@H](C#N)C(=O)NCc1nnc([C@H]2CCO[C@H]2CNCc2ccon2)[nH]1 ZINC001130203054 1201538803 /nfs/dbraw/zinc/53/88/03/1201538803.db2.gz QRFIAJCRLOBCGL-WXHSDQCUSA-N 0 3 359.390 0.231 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccc(C)n2)[n-]1 ZINC001130184931 1201539088 /nfs/dbraw/zinc/53/90/88/1201539088.db2.gz NBNCXDDYJYKYLT-HOCLYGCPSA-N 0 3 368.441 0.924 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[C@H](C)OC)[n-]1 ZINC001130205175 1201540436 /nfs/dbraw/zinc/54/04/36/1201540436.db2.gz TUYOCAFFDLRARP-KKUMJFAQSA-N 0 3 363.462 0.721 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnc(C3CC3)o2)[n-]1 ZINC001130216177 1201546700 /nfs/dbraw/zinc/54/67/00/1201546700.db2.gz PTZNGAMPWYNOFV-STQMWFEESA-N 0 3 370.413 0.695 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)nc(C)c2)[n-]1 ZINC001130216311 1201547274 /nfs/dbraw/zinc/54/72/74/1201547274.db2.gz SNCDNSBGKIJSHX-HOTGVXAUSA-N 0 3 368.441 0.842 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccnnc2)[n-]1 ZINC001130240559 1201561260 /nfs/dbraw/zinc/56/12/60/1201561260.db2.gz UVHOGWRZMFGYTD-KBPBESRZSA-N 0 3 355.402 0.010 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC2=CCOCC2)[n-]1 ZINC001130240519 1201562171 /nfs/dbraw/zinc/56/21/71/1201562171.db2.gz SNZRWCQTPAQLFU-GJZGRUSLSA-N 0 3 359.430 0.253 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCn2cncn2)CC1 ZINC001130271621 1201574678 /nfs/dbraw/zinc/57/46/78/1201574678.db2.gz JQMNMZNOVVIWNL-QAPCUYQASA-N 0 3 360.462 0.330 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CNC(=O)CCC)CC1 ZINC001130276909 1201575702 /nfs/dbraw/zinc/57/57/02/1201575702.db2.gz VFJXNFOASSZZGO-BEFAXECRSA-N 0 3 364.490 0.564 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2(COC)CC2)CC1 ZINC001130292841 1201579039 /nfs/dbraw/zinc/57/90/39/1201579039.db2.gz DQWVEOGCEWXGKF-AEFFLSMTSA-N 0 3 361.486 0.912 20 30 FCEDHN C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2nccn2C)CC1 ZINC001130295778 1201579414 /nfs/dbraw/zinc/57/94/14/1201579414.db2.gz RSFSHAGMMYHARV-UZLBHIALSA-N 0 3 371.485 0.461 20 30 FCEDHN COCC#CCN[C@@H]1CN(C(=O)c2cc(C)n[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130516559 1202708133 /nfs/dbraw/zinc/70/81/33/1202708133.db2.gz JOIDNDASUHZWHE-WMLDXEAASA-N 0 3 356.430 0.299 20 30 FCEDHN COCC#CCN[C@@H]1CN(C(=O)c2cc(C)[nH]n2)C[C@H]1c1cn(C)cn1 ZINC001130516559 1202708134 /nfs/dbraw/zinc/70/81/34/1202708134.db2.gz JOIDNDASUHZWHE-WMLDXEAASA-N 0 3 356.430 0.299 20 30 FCEDHN Cc1nc(CN[C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2c2cn(C)cn2)n[nH]1 ZINC001130594456 1202727406 /nfs/dbraw/zinc/72/74/06/1202727406.db2.gz JKHVTLHRVIPQLR-GOEBONIOSA-N 0 3 369.473 0.980 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@H]2CCn3ccnc3C2)C[C@H]1c1cn(C)cn1 ZINC001130617038 1202737397 /nfs/dbraw/zinc/73/73/97/1202737397.db2.gz PSYMBEHZUVRJPE-XYJFISCASA-N 0 3 366.469 0.787 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCn3cncc3C2)C[C@H]1c1cn(C)cn1 ZINC001130621961 1202738401 /nfs/dbraw/zinc/73/84/01/1202738401.db2.gz JGBPZVIKAURPTA-HHXXYDBFSA-N 0 3 366.469 0.787 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CNC(=O)c2ccccc2)C[C@H]1c1cn(C)cn1 ZINC001130714510 1202761331 /nfs/dbraw/zinc/76/13/31/1202761331.db2.gz CJVQIVVVNCGOQW-FUHWJXTLSA-N 0 3 367.453 0.920 20 30 FCEDHN COCC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC3CC3)n[n-]2)O1 ZINC001130754584 1202777054 /nfs/dbraw/zinc/77/70/54/1202777054.db2.gz IEAIJZXTOZTVKO-LSDHHAIUSA-N 0 3 361.446 0.681 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCn3cccn3)n[n-]2)O1 ZINC001130758158 1202780536 /nfs/dbraw/zinc/78/05/36/1202780536.db2.gz 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30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)COC3CCCC3)n[n-]2)O1 ZINC001130768026 1202786135 /nfs/dbraw/zinc/78/61/35/1202786135.db2.gz ZKNYDJZIUBXIRO-LSDHHAIUSA-N 0 3 361.446 0.823 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)COC3CCCC3)n2)O1 ZINC001130768026 1202786139 /nfs/dbraw/zinc/78/61/39/1202786139.db2.gz ZKNYDJZIUBXIRO-LSDHHAIUSA-N 0 3 361.446 0.823 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnoc3CC)n[n-]2)O1 ZINC001130809089 1202802273 /nfs/dbraw/zinc/80/22/73/1202802273.db2.gz GTZCPFUOJMPDEA-SMDDNHRTSA-N 0 3 358.402 0.728 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cnoc3CC)n2)O1 ZINC001130809089 1202802275 /nfs/dbraw/zinc/80/22/75/1202802275.db2.gz GTZCPFUOJMPDEA-SMDDNHRTSA-N 0 3 358.402 0.728 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccnnc3)n[n-]2)O1 ZINC001130809451 1202802812 /nfs/dbraw/zinc/80/28/12/1202802812.db2.gz YYFMAIXIGJGOJF-UONOGXRCSA-N 0 3 355.402 0.358 20 30 FCEDHN 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FCEDHN CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O ZINC001044779214 1217879692 /nfs/dbraw/zinc/87/96/92/1217879692.db2.gz WDCHDSOZPGANFQ-OAGGEKHMSA-N 0 3 358.446 0.134 20 30 FCEDHN CC#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)CC2)C1 ZINC001046063226 1217993552 /nfs/dbraw/zinc/99/35/52/1217993552.db2.gz MZMUXZBWYMLNIU-RCCFBDPRSA-N 0 3 355.486 0.765 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001046700480 1218066958 /nfs/dbraw/zinc/06/69/58/1218066958.db2.gz FGPRKLCAULQOSI-CABCVRRESA-N 0 3 367.490 0.245 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1=COCCC1 ZINC001225258123 1225805717 /nfs/dbraw/zinc/80/57/17/1225805717.db2.gz ASALUSNKCQLACJ-HUUCEWRRSA-N 0 3 364.446 0.710 20 30 FCEDHN C[C@@H](CNC(=O)C(=O)NCCNc1ccc(C#N)cn1)N1CCC(C)CC1 ZINC000803541738 1218430030 /nfs/dbraw/zinc/43/00/30/1218430030.db2.gz DPIBRYOCFQTBCX-HNNXBMFYSA-N 0 3 372.473 0.718 20 30 FCEDHN CN(C)[C@@H](C(=O)N1C[C@H]2CCN(c3nccnc3C#N)C[C@H]2C1)C1CC1 ZINC001049528244 1218473254 /nfs/dbraw/zinc/47/32/54/1218473254.db2.gz DDLACTFSKBUWND-HLLBOEOZSA-N 0 3 354.458 0.973 20 30 FCEDHN CN(C)[C@H](C(=O)N1C[C@H]2CCN(c3ccc(C#N)nn3)C[C@H]2C1)C1CC1 ZINC001049528381 1218473706 /nfs/dbraw/zinc/47/37/06/1218473706.db2.gz FZPCNBVXRDSEHY-VKJFTORMSA-N 0 3 354.458 0.973 20 30 FCEDHN C[C@H]1CCN(CC(=O)N2C[C@H]3CCN(c4ccnc(C#N)n4)C[C@H]3C2)C1 ZINC001049684381 1218520777 /nfs/dbraw/zinc/52/07/77/1218520777.db2.gz CVEIBFHTFHOVKM-XHSDSOJGSA-N 0 3 354.458 0.975 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)Nc1cnccn1 ZINC001226187969 1225835431 /nfs/dbraw/zinc/83/54/31/1225835431.db2.gz NTGUVYVQMFYQJR-RRFJBIMHSA-N 0 3 359.430 0.470 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NCCC ZINC001226186995 1225835564 /nfs/dbraw/zinc/83/55/64/1225835564.db2.gz GEXIWPVPKKZNKY-RRFJBIMHSA-N 0 3 366.462 0.278 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1(c2ccccn2)CC1 ZINC001226240043 1225836884 /nfs/dbraw/zinc/83/68/84/1225836884.db2.gz HZZWLUWMIRNBLK-HZPDHXFCSA-N 0 3 354.454 0.880 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn(C2CCC2)nn1 ZINC001226303578 1225839253 /nfs/dbraw/zinc/83/92/53/1225839253.db2.gz CJPOCUWCJFTHEB-ZIAGYGMSSA-N 0 3 359.434 0.273 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn(C2CCC2)nn1 ZINC001226303780 1225839512 /nfs/dbraw/zinc/83/95/12/1225839512.db2.gz HCUONHRTBWKUNR-HUUCEWRRSA-N 0 3 360.462 0.936 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001226323519 1225840376 /nfs/dbraw/zinc/84/03/76/1225840376.db2.gz MNKMPVLCGSCSKT-BSDSXHPESA-N 0 3 354.454 0.952 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@]12C[C@H]1COC2 ZINC001226340938 1225840972 /nfs/dbraw/zinc/84/09/72/1225840972.db2.gz GNBJIYRMNHZFFN-LWGWVAHUSA-N 0 3 364.446 0.052 20 30 FCEDHN CC(C)NC(=O)C(C#N)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000748483195 1218753046 /nfs/dbraw/zinc/75/30/46/1218753046.db2.gz ROOOJYRVGWYZRF-CYBMUJFWSA-N 0 3 361.358 0.627 20 30 FCEDHN Cn1nc(C2CC2)cc1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N ZINC001226553821 1225846542 /nfs/dbraw/zinc/84/65/42/1225846542.db2.gz HMZDQZYRVJXHGR-ZIAGYGMSSA-N 0 3 358.446 0.568 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)N(C)C(C)C)CC1 ZINC001111455012 1218846697 /nfs/dbraw/zinc/84/66/97/1218846697.db2.gz IFLUDMMBEDRCBH-QRVBRYPASA-N 0 3 374.529 0.920 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@@H](C)C(=O)NCCC)CC1 ZINC001111456438 1218867448 /nfs/dbraw/zinc/86/74/48/1218867448.db2.gz CPXMUWXKTHHUMP-AITUJVMLSA-N 0 3 374.529 0.968 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1cc(C2CC2)nn1 ZINC001226765758 1225854034 /nfs/dbraw/zinc/85/40/34/1225854034.db2.gz FBFVUKFXNNSWRF-HUUCEWRRSA-N 0 3 360.462 0.475 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnc2nccnc2c1 ZINC001226837738 1225855767 /nfs/dbraw/zinc/85/57/67/1225855767.db2.gz MZOINUNTDZUCHJ-HUUCEWRRSA-N 0 3 368.441 0.958 20 30 FCEDHN C=C(C)CN1C[C@]2(CC1=O)CCCCN2Cc1cn(C)c(=O)n(C)c1=O ZINC001277177842 1225862179 /nfs/dbraw/zinc/86/21/79/1225862179.db2.gz HIUDIEBIIPZWLS-LJQANCHMSA-N 0 3 360.458 0.617 20 30 FCEDHN C#CCN(CC(=O)N(C)CCCN1CCN(C)CC1)C(=O)OC(C)(C)C ZINC000827118904 1219034340 /nfs/dbraw/zinc/03/43/40/1219034340.db2.gz GDKWHNOOIIIBKM-UHFFFAOYSA-N 0 3 366.506 0.953 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCn2nccc21 ZINC001227126846 1225863874 /nfs/dbraw/zinc/86/38/74/1225863874.db2.gz AZWGSXSXQNYEEB-RBSFLKMASA-N 0 3 358.446 0.417 20 30 FCEDHN CC(C)(C)c1cc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)[nH]n1 ZINC001227248479 1225867747 /nfs/dbraw/zinc/86/77/47/1225867747.db2.gz AMHTXCUFETXJHU-CHWSQXEVSA-N 0 3 360.462 0.978 20 30 FCEDHN CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804055040 1219108463 /nfs/dbraw/zinc/10/84/63/1219108463.db2.gz CVIPRMQAASKBBP-IAGOWNOFSA-N 0 3 356.426 0.496 20 30 FCEDHN C=CC[C@H](NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccncc1 ZINC000804060490 1219116484 /nfs/dbraw/zinc/11/64/84/1219116484.db2.gz SEUGPACJULJIEN-ZACQAIPSSA-N 0 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ZINC001070198190 1219287841 /nfs/dbraw/zinc/28/78/41/1219287841.db2.gz SCZCGNGZCMOSOB-CVEARBPZSA-N 0 3 355.446 0.581 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2CCc3ncncc3C2)C[C@@H]1n1ccnn1 ZINC001070209009 1219294742 /nfs/dbraw/zinc/29/47/42/1219294742.db2.gz INGJUIAUGTYXEI-XYPHTWIQSA-N 0 3 353.430 0.401 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2CCc3cnc(C)n3C2)C[C@@H]1n1ccnn1 ZINC001070260795 1219331323 /nfs/dbraw/zinc/33/13/23/1219331323.db2.gz RSPQKBYIFGBSQX-UAGQMJEPSA-N 0 3 355.446 0.573 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccnc(-n3cccn3)c2)C[C@@H]1n1ccnn1 ZINC001070271298 1219339807 /nfs/dbraw/zinc/33/98/07/1219339807.db2.gz KMOJXEGNUPOZMA-CVEARBPZSA-N 0 3 364.413 0.700 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cc(CN3CCCC3)on2)C[C@@H]1n1ccnn1 ZINC001070275368 1219342775 /nfs/dbraw/zinc/34/27/75/1219342775.db2.gz IQRKIZUBTXUGOS-SJORKVTESA-N 0 3 371.445 0.703 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc(CNC(C)=O)o2)C[C@@H]1n1ccnn1 ZINC001070295210 1219355163 /nfs/dbraw/zinc/35/51/63/1219355163.db2.gz RXGJJJONDWSFTB-CABCVRRESA-N 0 3 358.402 0.349 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cnc3c(cnn3C)c2)C[C@@H]1n1ccnn1 ZINC001070303441 1219362057 /nfs/dbraw/zinc/36/20/57/1219362057.db2.gz XEQIFJBIJWHLOE-CABCVRRESA-N 0 3 352.402 0.401 20 30 FCEDHN CCCCN1CCCC[C@@H]1C(=O)N1C[C@@H](NCC#N)[C@@H](n2ccnn2)C1 ZINC001070308655 1219366947 /nfs/dbraw/zinc/36/69/47/1219366947.db2.gz DGVDICIYVUYXAD-ZACQAIPSSA-N 0 3 359.478 0.798 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc(N3CCCC3)nn2)C[C@@H]1n1ccnn1 ZINC001070311145 1219368662 /nfs/dbraw/zinc/36/86/62/1219368662.db2.gz PCPYFNIFQXCVSE-CVEARBPZSA-N 0 3 368.445 0.510 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ncoc2-c2ccon2)C[C@@H]1n1ccnn1 ZINC001070314534 1219370626 /nfs/dbraw/zinc/37/06/26/1219370626.db2.gz QWKKCMRMSZUUGB-OLZOCXBDSA-N 0 3 355.358 0.762 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2COc3ccccc3O2)C[C@@H]1n1ccnn1 ZINC001070320111 1219373899 /nfs/dbraw/zinc/37/38/99/1219373899.db2.gz XPRGVSRIJBOKIU-KEYYUXOJSA-N 0 3 355.398 0.646 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cn2c(=O)oc3ccccc32)C[C@@H]1n1ccnn1 ZINC001070324295 1219375245 /nfs/dbraw/zinc/37/52/45/1219375245.db2.gz CSNHMIMBFLVPTI-HIFRSBDPSA-N 0 3 368.397 0.414 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)COc2ccccc2OC)C[C@@H]1n1ccnn1 ZINC001070325573 1219375787 /nfs/dbraw/zinc/37/57/87/1219375787.db2.gz MBTPPKMIZYSYHC-CABCVRRESA-N 0 3 357.414 0.893 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc3c(c2)nnn3CC)C[C@@H]1n1ccnn1 ZINC001070325321 1219376171 /nfs/dbraw/zinc/37/61/71/1219376171.db2.gz CHPMDMGVMMMYHE-WBVHZDCISA-N 0 3 366.429 0.884 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1OCCc2ccccc21 ZINC001227879291 1225889203 /nfs/dbraw/zinc/88/92/03/1225889203.db2.gz ZUMJFOSBTMRLJV-LMMKCTJWSA-N 0 3 370.453 0.957 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cc(C)nn2C)CC1 ZINC001070367167 1219398780 /nfs/dbraw/zinc/39/87/80/1219398780.db2.gz HXAQTHJUJFCPEX-APWZRJJASA-N 0 3 371.485 0.841 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@@H]2COC(=O)C2)CC1 ZINC001070369860 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ZINC001214792423 1223942513 /nfs/dbraw/zinc/94/25/13/1223942513.db2.gz JSLBCPUQWIBTRI-NVXWUHKLSA-N 0 3 358.442 0.588 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ccc(NC(C)=O)cn2)C[C@H]1C ZINC001214807408 1223944203 /nfs/dbraw/zinc/94/42/03/1223944203.db2.gz VGLDJPHOGXIHJO-PBFPGSCMSA-N 0 3 371.441 0.228 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1C ZINC001214812023 1223944679 /nfs/dbraw/zinc/94/46/79/1223944679.db2.gz OUVJKIBNFCHYEY-HUUCEWRRSA-N 0 3 368.453 0.704 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cn2ccc(C(F)F)n2)C[C@H]1C ZINC001214817985 1223945351 /nfs/dbraw/zinc/94/53/51/1223945351.db2.gz WLSMKHJQKWOABW-YRGRVCCFSA-N 0 3 369.416 0.948 20 30 FCEDHN C[C@@H]1CN(C(=O)c2cccc3c2COCC3)C[C@H]1NCC(=O)NCC#N ZINC001214838506 1223946299 /nfs/dbraw/zinc/94/62/99/1223946299.db2.gz RVTURJRMGRIZID-CXAGYDPISA-N 0 3 356.426 0.449 20 30 FCEDHN C[C@@H]1CN(C(=O)c2ccc(N(C)C)cc2F)C[C@H]1NCC(=O)NCC#N ZINC001214850507 1223948050 /nfs/dbraw/zinc/94/80/50/1223948050.db2.gz XEEBTUREBWLJTB-MLGOLLRUSA-N 0 3 361.421 0.582 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cn(C)nc2C(F)F)C[C@H]1C ZINC001214869121 1223950302 /nfs/dbraw/zinc/95/03/02/1223950302.db2.gz BNIPSUNDVUDTJF-NQBHXWOUSA-N 0 3 367.400 0.546 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnc3nccnc3c2)C[C@H]1C ZINC001214871682 1223950392 /nfs/dbraw/zinc/95/03/92/1223950392.db2.gz RGDHDYGGBMDZDX-XJKCOSOUSA-N 0 3 368.441 0.766 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cccc3[nH]c(=O)[nH]c32)C[C@H]1C ZINC001214875422 1223950790 /nfs/dbraw/zinc/95/07/90/1223950790.db2.gz TUDBSOIIPRBSPI-BXUZGUMPSA-N 0 3 355.398 0.068 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)Cc2cnn3ccccc23)C[C@H]1C ZINC001214877024 1223951359 /nfs/dbraw/zinc/95/13/59/1223951359.db2.gz GSNQLTVCBZTQJH-GDBMZVCRSA-N 0 3 355.442 0.616 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCCO3)C[C@H]1C ZINC001214911389 1223954767 /nfs/dbraw/zinc/95/47/67/1223954767.db2.gz XCQMHOHNECEHBS-CRAIPNDOSA-N 0 3 369.465 0.740 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cn(CC(F)F)nc2C)C[C@H]1C ZINC001214916816 1223955089 /nfs/dbraw/zinc/95/50/89/1223955089.db2.gz JPOWAFYTQPDOOU-BXUZGUMPSA-N 0 3 367.400 0.256 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccc3nc[nH]c3n2)C[C@H]1C ZINC001214938481 1223957584 /nfs/dbraw/zinc/95/75/84/1223957584.db2.gz JVZCKXPGOWNIJE-TYNCELHUSA-N 0 3 356.430 0.699 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)COCc2cc(C)on2)C[C@H]1C ZINC001214946097 1223958033 /nfs/dbraw/zinc/95/80/33/1223958033.db2.gz LZFCHQMWGFCJDT-XNRPHZJLSA-N 0 3 364.446 0.627 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccc3c(c2)nnn3C)C[C@H]1C ZINC001214967075 1223960126 /nfs/dbraw/zinc/96/01/26/1223960126.db2.gz NSPAHABDCXSPHS-DVOMOZLQSA-N 0 3 370.457 0.709 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)C2(NC(C)=O)CCCCC2)C[C@H]1C ZINC001214988156 1223961561 /nfs/dbraw/zinc/96/15/61/1223961561.db2.gz MIKIIXSHCQRTNJ-GDBMZVCRSA-N 0 3 362.474 0.011 20 30 FCEDHN C[C@@H]1CN(C(=O)c2cnoc2-c2ccco2)C[C@H]1NCC(=O)NCC#N ZINC001214990574 1223962435 /nfs/dbraw/zinc/96/24/35/1223962435.db2.gz WOWZILFTLRJNSY-DGCLKSJQSA-N 0 3 357.370 0.624 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cn2cc(C3CC3)cn2)C[C@H]1C ZINC001215010133 1223963998 /nfs/dbraw/zinc/96/39/98/1223963998.db2.gz MEAHRPUGFKPLHP-JKIFEVAISA-N 0 3 357.458 0.335 20 30 FCEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1C ZINC001215033763 1223966059 /nfs/dbraw/zinc/96/60/59/1223966059.db2.gz LWYUIJBTLOZECJ-OWCLPIDISA-N 0 3 364.490 0.374 20 30 FCEDHN C#Cc1cccc(NC(=O)CN[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2C)c1 ZINC001215044903 1223966810 /nfs/dbraw/zinc/96/68/10/1223966810.db2.gz OQABDGHUQZFYOT-MLGOLLRUSA-N 0 3 352.398 0.475 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccn(-c3ccccc3)n2)C[C@H]1C ZINC001215057002 1223968861 /nfs/dbraw/zinc/96/88/61/1223968861.db2.gz RUYSQJGJCKTVLT-CRAIPNDOSA-N 0 3 365.437 0.672 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ncnc3[nH]ccc32)C[C@H]1C ZINC001215065111 1223970116 /nfs/dbraw/zinc/97/01/16/1223970116.db2.gz UFHXBLXGTKAIPZ-YRGRVCCFSA-N 0 3 354.414 0.098 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cn3ccc(C)cc3n2)C[C@H]1C ZINC001215080571 1223971279 /nfs/dbraw/zinc/97/12/79/1223971279.db2.gz PELHEKXBPDXHDT-HUUCEWRRSA-N 0 3 355.442 0.995 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(CNC(C)=O)cc2)C[C@H]1C ZINC001215080650 1223971363 /nfs/dbraw/zinc/97/13/63/1223971363.db2.gz UCCSUPWGGLSNKN-RDTXWAMCSA-N 0 3 370.453 0.122 20 30 FCEDHN C[C@@H]1CN(C(=O)c2cccnc2N2CCCC2)C[C@H]1NCC(=O)NCC#N ZINC001215078110 1223971468 /nfs/dbraw/zinc/97/14/68/1223971468.db2.gz SOXXOYGXEJVRMO-GDBMZVCRSA-N 0 3 370.457 0.372 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)COCc2ncc(C)o2)C[C@H]1C ZINC001215118625 1223974774 /nfs/dbraw/zinc/97/47/74/1223974774.db2.gz OSPVEEMSGKGOHF-BPLDGKMQSA-N 0 3 362.430 0.074 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnc3nccn3c2)C[C@H]1C ZINC001215144228 1223977838 /nfs/dbraw/zinc/97/78/38/1223977838.db2.gz NNTJWFUZQQTYIM-VNHYZAJKSA-N 0 3 356.430 0.470 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccnc3[nH]c(C)nc32)C[C@H]1C ZINC001215194174 1223981061 /nfs/dbraw/zinc/98/10/61/1223981061.db2.gz HLDKZCMZFQFOFI-BXUZGUMPSA-N 0 3 354.414 0.066 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccoc2)C[C@H]1C ZINC001215204261 1223982267 /nfs/dbraw/zinc/98/22/67/1223982267.db2.gz FRHKPAZYKHTEFL-IUODEOHRSA-N 0 3 355.398 0.469 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccoc2)C[C@H]1C ZINC001215205324 1223982293 /nfs/dbraw/zinc/98/22/93/1223982293.db2.gz BXAJPNQPTWLKFC-DVOMOZLQSA-N 0 3 369.425 0.858 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2COCCN2CCCC)C[C@H]1C ZINC001215226841 1223983617 /nfs/dbraw/zinc/98/36/17/1223983617.db2.gz UKKKULSRFVACMU-ZACQAIPSSA-N 0 3 366.506 0.226 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2c[nH]nc2C)C[C@H]1C ZINC001215276832 1223987920 /nfs/dbraw/zinc/98/79/20/1223987920.db2.gz BVHJNYGMICIKHD-MPKXVKKWSA-N 0 3 362.434 0.169 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnc3c(c2)ncn3C)C[C@H]1C ZINC001215296411 1223990777 /nfs/dbraw/zinc/99/07/77/1223990777.db2.gz FBWHIWXUDHPDOM-DVOMOZLQSA-N 0 3 368.441 0.156 20 30 FCEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1C ZINC001215356271 1223993656 /nfs/dbraw/zinc/99/36/56/1223993656.db2.gz VEXBSPPFSCMRSP-OWCLPIDISA-N 0 3 364.490 0.326 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc3c(c2)[C@H](C)CO3)C[C@H]1C ZINC001215371896 1223994843 /nfs/dbraw/zinc/99/48/43/1223994843.db2.gz WAZZCSFXEQMFAB-CKEIUWERSA-N 0 3 355.438 0.982 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CCCO2)C[C@H]1C ZINC001215386782 1223995541 /nfs/dbraw/zinc/99/55/41/1223995541.db2.gz DTSCHRLZSAXGNM-YUELXQCFSA-N 0 3 359.430 0.061 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)Cc2c[nH]c3cnccc23)C[C@H]1C ZINC001215392949 1223995792 /nfs/dbraw/zinc/99/57/92/1223995792.db2.gz IDPXVMRUFATAKG-CXAGYDPISA-N 0 3 355.442 0.844 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ccc3nonc3c2)C[C@H]1C ZINC001215438790 1223999393 /nfs/dbraw/zinc/99/93/93/1223999393.db2.gz FRECAJQTNRBZCK-XHBSWPGZSA-N 0 3 357.414 0.964 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)CCOc2ccc(F)cc2)C[C@H]1C ZINC001215446762 1224000255 /nfs/dbraw/zinc/00/02/55/1224000255.db2.gz JTGLPJCQOVMIAT-RHSMWYFYSA-N 0 3 361.417 0.781 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@H](CC(C)C)OC)C[C@H]1C ZINC001215487944 1224001546 /nfs/dbraw/zinc/00/15/46/1224001546.db2.gz IBBFGASESQLEHS-KFWWJZLASA-N 0 3 368.478 0.496 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc3ncn(C)c3n2)C[C@H]1C ZINC001215531936 1224004529 /nfs/dbraw/zinc/00/45/29/1224004529.db2.gz DQPLYLDYKFCTHI-IUODEOHRSA-N 0 3 356.430 0.321 20 30 FCEDHN C[C@H](OCc1ccncc1)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1 ZINC001215598460 1224008141 /nfs/dbraw/zinc/00/81/41/1224008141.db2.gz BMROKKNROJVLCJ-IJEWVQPXSA-N 0 3 359.430 0.063 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NC2CC2)C1 ZINC001215594719 1224008348 /nfs/dbraw/zinc/00/83/48/1224008348.db2.gz SJAPNAAMCXOAEI-NGFQHRJXSA-N 0 3 364.446 0.002 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C(C)(C)NC(=O)NCC)C[C@H]1C ZINC001215767249 1224017012 /nfs/dbraw/zinc/01/70/12/1224017012.db2.gz POFDONUEMZFTAP-HZSPNIEDSA-N 0 3 367.494 0.211 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccc(C)nc2OC)C[C@H]1C ZINC001215807925 1224018300 /nfs/dbraw/zinc/01/83/00/1224018300.db2.gz LDGONUCFCGANTJ-IVMMDQJWSA-N 0 3 358.442 0.587 20 30 FCEDHN C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C(C)C)C1 ZINC001215802557 1224018400 /nfs/dbraw/zinc/01/84/00/1224018400.db2.gz HEIYFEVMMBWJHJ-HYVNUMGLSA-N 0 3 366.506 0.761 20 30 FCEDHN C[C@@H]1CN(C(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)C[C@H]1NCC(=O)NCC#N ZINC001215812949 1224019129 /nfs/dbraw/zinc/01/91/29/1224019129.db2.gz SLTSKVYPZKTCNM-VFHCNTGYSA-N 0 3 352.438 0.649 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CCCCN2C(C)=O)C[C@H]1C ZINC001215888644 1224022381 /nfs/dbraw/zinc/02/23/81/1224022381.db2.gz SALCQZSEQKRSBC-DJIMGWMZSA-N 0 3 364.490 0.516 20 30 FCEDHN C[C@@H]1CN(C(=O)c2ccc(-c3cn[nH]c3)cc2)C[C@H]1NCC(=O)NCC#N ZINC001215907876 1224023584 /nfs/dbraw/zinc/02/35/84/1224023584.db2.gz SPEDTMBNRKQSCN-CXAGYDPISA-N 0 3 366.425 0.767 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C(C)(C)N2CCOCC2)C[C@H]1C ZINC001215934006 1224025061 /nfs/dbraw/zinc/02/50/61/1224025061.db2.gz BELCPCTYPUEXFB-BZUAXINKSA-N 0 3 366.506 0.224 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(N3CCCC3)nc2)C[C@H]1C ZINC001215948878 1224026797 /nfs/dbraw/zinc/02/67/97/1224026797.db2.gz ICJDEDMAOBBWRQ-NVXWUHKLSA-N 0 3 369.469 0.481 20 30 FCEDHN CC(=O)Nc1ccccc1CC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1 ZINC001215985185 1224028502 /nfs/dbraw/zinc/02/85/02/1224028502.db2.gz FCEUPLXFRIJRIY-CXAGYDPISA-N 0 3 371.441 0.264 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2ccco2)C[C@H]1C ZINC001216020302 1224030405 /nfs/dbraw/zinc/03/04/05/1224030405.db2.gz QQGDHTOWGURZRD-UMVBOHGHSA-N 0 3 362.430 0.659 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cn3nccc3nc2C)C[C@H]1C ZINC001216132989 1224035857 /nfs/dbraw/zinc/03/58/57/1224035857.db2.gz PRUHTOZVYFQKQE-IVMMDQJWSA-N 0 3 368.441 0.226 20 30 FCEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)Cc2nonc2C)C[C@H]1C ZINC001216140226 1224036548 /nfs/dbraw/zinc/03/65/48/1224036548.db2.gz KARGFNGMYALHEZ-CZUORRHYSA-N 0 3 363.462 0.782 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)Cc2nonc2C)C[C@H]1C ZINC001216139887 1224036581 /nfs/dbraw/zinc/03/65/81/1224036581.db2.gz HCCZGMYXZOLRPC-IUODEOHRSA-N 0 3 362.434 0.119 20 30 FCEDHN C[C@@H]1CN(C(=O)c2ccc(-c3cnn(C)c3)o2)C[C@H]1NCC(=O)NCC#N ZINC001216275518 1224041289 /nfs/dbraw/zinc/04/12/89/1224041289.db2.gz PUPPZFXRBNCGKH-TZMCWYRMSA-N 0 3 370.413 0.370 20 30 FCEDHN CCCCn1cc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)c(C)n1 ZINC001216306056 1224042590 /nfs/dbraw/zinc/04/25/90/1224042590.db2.gz FVUIAZZLLXMNDC-CZUORRHYSA-N 0 3 360.462 0.682 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)CCCOC2CCOCC2)C[C@H]1C ZINC001216326859 1224044886 /nfs/dbraw/zinc/04/48/86/1224044886.db2.gz KVUZNCQRLBNUKR-NVXWUHKLSA-N 0 3 367.490 0.701 20 30 FCEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1C ZINC001216393039 1224048446 /nfs/dbraw/zinc/04/84/46/1224048446.db2.gz UMIQBFFREPKEPJ-NVXWUHKLSA-N 0 3 359.474 0.600 20 30 FCEDHN C[C@@H]1CN(C(=O)[C@]2(C)CCOc3ccccc32)C[C@H]1NCC(=O)NCC#N ZINC001216404846 1224049043 /nfs/dbraw/zinc/04/90/43/1224049043.db2.gz FGMRQVYDGPXKJP-AKCHCHLHSA-N 0 3 370.453 0.803 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnn3ccc(C)nc23)C[C@H]1C ZINC001216425647 1224050170 /nfs/dbraw/zinc/05/01/70/1224050170.db2.gz ZOXPTMPDHDYNFF-IVMMDQJWSA-N 0 3 370.457 0.779 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCCC(=O)NC(C)C)C[C@H]1C ZINC001216444306 1224051473 /nfs/dbraw/zinc/05/14/73/1224051473.db2.gz SCDKMMWBDWNDGV-OWCLPIDISA-N 0 3 364.490 0.256 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCCOCC)C2)nc1 ZINC001216459474 1224052557 /nfs/dbraw/zinc/05/25/57/1224052557.db2.gz XIAHRTHDXSFQJG-RHSMWYFYSA-N 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C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc3c(c2)N(C)CC3)C[C@H]1C ZINC001216632561 1224059752 /nfs/dbraw/zinc/05/97/52/1224059752.db2.gz CWBOLWUJSLWMSI-RHSMWYFYSA-N 0 3 354.454 0.478 20 30 FCEDHN C[C@@H]1CN(C(=O)CCOc2ccccc2F)C[C@H]1NCC(=O)NCC#N ZINC001216656245 1224060333 /nfs/dbraw/zinc/06/03/33/1224060333.db2.gz PSIQEYWOPWOZFG-UKRRQHHQSA-N 0 3 362.405 0.671 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccc(NC(N)=O)cc2)C[C@H]1C ZINC001216687459 1224061223 /nfs/dbraw/zinc/06/12/23/1224061223.db2.gz NDBYGFNHGOVWFG-DVOMOZLQSA-N 0 3 371.441 0.365 20 30 FCEDHN CCc1cccc(OCC(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)c1 ZINC001216692679 1224061387 /nfs/dbraw/zinc/06/13/87/1224061387.db2.gz IDTAGMJLRHQFQE-RHSMWYFYSA-N 0 3 358.442 0.704 20 30 FCEDHN C[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1NCC#Cc1ccccc1 ZINC001216692605 1224061693 /nfs/dbraw/zinc/06/16/93/1224061693.db2.gz GLWYKQBMEKTKKV-CRAIPNDOSA-N 0 3 350.422 0.882 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCCCCNC(C)=O)C[C@H]1C ZINC001216697775 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CGCVBDLHNOTKQJ-DAXOMENPSA-N 0 3 360.462 0.527 20 30 FCEDHN C[C@@H](COc1ccccc1)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1 ZINC001216764528 1224069992 /nfs/dbraw/zinc/06/99/92/1224069992.db2.gz BLQZNSVPPTVAAT-HLLBOEOZSA-N 0 3 358.442 0.778 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CCCOC2)C[C@H]1C ZINC001216764749 1224070108 /nfs/dbraw/zinc/07/01/08/1224070108.db2.gz JWORNFIOGHORFY-RBSFLKMASA-N 0 3 366.462 0.251 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)CN2CCc3ccccc32)C[C@H]1C ZINC001216780584 1224071727 /nfs/dbraw/zinc/07/17/27/1224071727.db2.gz PVVNUZQCLGDYRH-NVXWUHKLSA-N 0 3 356.470 0.788 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)OC)C[C@H]1C ZINC001216791871 1224072354 /nfs/dbraw/zinc/07/23/54/1224072354.db2.gz SRNSOYDVTCJPAW-NXHRZFHOSA-N 0 3 359.470 0.983 20 30 FCEDHN CC(=O)N1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001216791715 1224072651 /nfs/dbraw/zinc/07/26/51/1224072651.db2.gz MWPHKIPSCYSIEQ-AHRSYUTCSA-N 0 3 369.465 0.722 20 30 FCEDHN 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ZINC001217015955 1224084875 /nfs/dbraw/zinc/08/48/75/1224084875.db2.gz HOQVNYJAEYUWJU-OWCLPIDISA-N 0 3 366.506 0.892 20 30 FCEDHN C#CC[C@@H](CC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1)c1ccccc1 ZINC001217059203 1224087123 /nfs/dbraw/zinc/08/71/23/1224087123.db2.gz DZZPDXCSAHDFQE-HYVNUMGLSA-N 0 3 370.453 0.815 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnc(OCC)cn2)C[C@H]1C ZINC001217072497 1224087352 /nfs/dbraw/zinc/08/73/52/1224087352.db2.gz KPVGFHZQHSOBEX-UMVBOHGHSA-N 0 3 361.446 0.616 20 30 FCEDHN C[C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)C[C@H]1NCC#Cc1ccc(F)cc1 ZINC001217123319 1224090204 /nfs/dbraw/zinc/09/02/04/1224090204.db2.gz FVMDNLZVWCJPNU-FRFSOERESA-N 0 3 371.412 0.667 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cccc3nnn(C)c32)C[C@H]1C ZINC001217123301 1224090484 /nfs/dbraw/zinc/09/04/84/1224090484.db2.gz FEDSGVCPWPEAMW-DVOMOZLQSA-N 0 3 370.457 0.709 20 30 FCEDHN C=CCn1cc(C(=O)NC[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@H]2C)nn1 ZINC000994023806 1250149758 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C#CCN[C@@H]1CN(C(=O)c2cn(CCOC)nn2)C[C@H]1c1cccc(F)c1 ZINC001079182634 1255467889 /nfs/dbraw/zinc/46/78/89/1255467889.db2.gz SLSDZEZAPIEEMJ-DLBZAZTESA-N 0 3 371.416 0.895 20 30 FCEDHN C=CCN1CCC2(CN(C(=O)C[C@H]3CCN(C)C3=O)[C@@H]3COC[C@@H]32)CC1 ZINC001079247338 1255486678 /nfs/dbraw/zinc/48/66/78/1255486678.db2.gz YWJBLVUACYJHAU-IXDOHACOSA-N 0 3 361.486 0.980 20 30 FCEDHN CC#CCN1CCC2(CN(C(=O)[C@H]3CCC(=O)NC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079250289 1255487844 /nfs/dbraw/zinc/48/78/44/1255487844.db2.gz WPUAZPUYFAVRFV-YESZJQIVSA-N 0 3 359.470 0.475 20 30 FCEDHN CC#CCN1CCC2(CN(C(=O)[C@H]3CCN(C)C3=O)[C@@H]3COC[C@@H]32)CC1 ZINC001079255894 1255490087 /nfs/dbraw/zinc/49/00/87/1255490087.db2.gz RSWJRBFNCLLQCV-YESZJQIVSA-N 0 3 359.470 0.427 20 30 FCEDHN C=CCN1CCC2(CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]3COC[C@@H]32)CC1 ZINC001079260778 1255492134 /nfs/dbraw/zinc/49/21/34/1255492134.db2.gz OWZJJJDSLXBZHB-XUWVNRHRSA-N 0 3 363.458 0.145 20 30 FCEDHN C#CCN1CCC2(CN(C(=O)c3ccc(C(N)=O)[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079260807 1255492154 /nfs/dbraw/zinc/49/21/54/1255492154.db2.gz QSMPFVFZUSDYFF-XJKSGUPXSA-N 0 3 356.426 0.300 20 30 FCEDHN C#CCN1CCC2(CN(C(=O)c3cn(CC=C)nn3)[C@@H]3COC[C@@H]32)CC1 ZINC001079265603 1255493660 /nfs/dbraw/zinc/49/36/60/1255493660.db2.gz RALXHCJHHKBBJJ-DOTOQJQBSA-N 0 3 355.442 0.650 20 30 FCEDHN C=CCN1CCC2(CN(C(=O)c3ccc(C(N)=O)nc3)[C@@H]3COC[C@@H]32)CC1 ZINC001079275392 1255498563 /nfs/dbraw/zinc/49/85/63/1255498563.db2.gz NPERYYFPKNKFDU-DOTOQJQBSA-N 0 3 370.453 0.920 20 30 FCEDHN C#CCN1CCC2(CN(C(=O)[C@H]3CCC(=O)N(C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079274504 1255498736 /nfs/dbraw/zinc/49/87/36/1255498736.db2.gz RUTWKNKSRJDDIL-YESZJQIVSA-N 0 3 359.470 0.427 20 30 FCEDHN C=CCn1cc(C(=O)N[C@@H]2CN(CCCN3CCCC3=O)C[C@H]2C)nn1 ZINC001080578791 1255940724 /nfs/dbraw/zinc/94/07/24/1255940724.db2.gz ABRQZXVKNZZQDL-HUUCEWRRSA-N 0 3 360.462 0.527 20 30 FCEDHN 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FCEDHN Cc1[nH]cnc1CC(=O)N[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@@H]1O ZINC001083998549 1257786695 /nfs/dbraw/zinc/78/66/95/1257786695.db2.gz CDXJVLPXRTYZGU-SJORKVTESA-N 0 3 357.389 0.633 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@H]3CCN(C[C@H](O)Cn4cccn4)C[C@H]32)cn1 ZINC001084784470 1258328462 /nfs/dbraw/zinc/32/84/62/1258328462.db2.gz QJMNGFGEIUSNAS-NZSAHSFTSA-N 0 3 365.437 0.467 20 30 FCEDHN O=C(C#CC1CC1)N1CC[C@H]2CCN(CCCN3C(=O)CNC3=O)[C@H]2C1 ZINC001084937934 1258451280 /nfs/dbraw/zinc/45/12/80/1258451280.db2.gz QZSYBBZFECRUNA-CVEARBPZSA-N 0 3 358.442 0.265 20 30 FCEDHN C=CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)C[C@@H]21 ZINC001084995085 1258503266 /nfs/dbraw/zinc/50/32/66/1258503266.db2.gz JFXAUIQKXDHQDW-YRXWBPOGSA-N 0 3 363.502 0.975 20 30 FCEDHN C#Cc1ccc(C(=O)N2CC[C@H]3CCN(CCn4cncn4)[C@H]3C2)nc1 ZINC001085078238 1258574489 /nfs/dbraw/zinc/57/44/89/1258574489.db2.gz JMCUGGZFZOPFHU-AEFFLSMTSA-N 0 3 350.426 0.891 20 30 FCEDHN C=CCN1CC[C@H](N2CC[C@@H]3CN(C(=O)c4ccc(=O)[nH]c4)C[C@@H]3C2)C1=O ZINC001088189731 1258709982 /nfs/dbraw/zinc/70/99/82/1258709982.db2.gz RICQRUFVFLMEKB-IKGGRYGDSA-N 0 3 370.453 0.968 20 30 FCEDHN C#CCNC(=O)CC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H](NCC#CC)C1 ZINC001100159153 1258906432 /nfs/dbraw/zinc/90/64/32/1258906432.db2.gz XYUIZLWNZYXFSK-RBUKOAKNSA-N 0 3 367.449 0.742 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@H](C)NC(N)=O)C[C@H]1c1ccc(OC)cc1 ZINC001100158799 1258906563 /nfs/dbraw/zinc/90/65/63/1258906563.db2.gz KRCCLIYXWSHXOQ-RRQGHBQHSA-N 0 3 358.442 0.659 20 30 FCEDHN CC[C@]1(C(=O)NC[C@]23CCC[C@H]2N(CC#CCOC)CC3)CCNC1=O ZINC001107441368 1259089274 /nfs/dbraw/zinc/08/92/74/1259089274.db2.gz SUQPSMGBGCNXNA-AHRSYUTCSA-N 0 3 361.486 0.913 20 30 FCEDHN C#CCNC(=O)CN1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CCC[C@@H]12 ZINC001107440903 1259089792 /nfs/dbraw/zinc/08/97/92/1259089792.db2.gz AVGLQYHZWGPIHJ-MXHNKVEKSA-N 0 3 369.469 0.623 20 30 FCEDHN 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ZINC001128935318 1259266972 /nfs/dbraw/zinc/26/69/72/1259266972.db2.gz UTVFZSLXNUNWNC-XYPHTWIQSA-N 0 3 360.462 0.453 20 30 FCEDHN C#CCOCCC(=O)N[C@@H]1CN(CCc2ccccc2)C[C@@H]1n1ccnn1 ZINC001128976290 1259278917 /nfs/dbraw/zinc/27/89/17/1259278917.db2.gz NXQNYAYJDWOBCM-MOPGFXCFSA-N 0 3 367.453 0.902 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)c2cccn3nnnc23)[C@@H](n2ccnn2)C1 ZINC001129014774 1259289341 /nfs/dbraw/zinc/28/93/41/1259289341.db2.gz RLEYDHWUNIXKLB-CABCVRRESA-N 0 3 367.417 0.337 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)CN(C)C(=O)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129025520 1259293201 /nfs/dbraw/zinc/29/32/01/1259293201.db2.gz KYXVHFZVTWACLZ-CVEARBPZSA-N 0 3 362.478 0.700 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)C[C@H]2CCC(=O)NC2)[C@@H](n2ccnn2)C1 ZINC001129043160 1259296709 /nfs/dbraw/zinc/29/67/09/1259296709.db2.gz JYRKEZWUZWSTJT-OAGGEKHMSA-N 0 3 360.462 0.502 20 30 FCEDHN C#CCC1(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]2n2ccnn2)CCC1 ZINC001129048496 1259296973 /nfs/dbraw/zinc/29/69/73/1259296973.db2.gz 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C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccncc2)CCCO1 ZINC001200537834 1259416981 /nfs/dbraw/zinc/41/69/81/1259416981.db2.gz STIIMVUXGLYJBB-FGTMMUONSA-N 0 3 370.453 0.142 20 30 FCEDHN C#CCNC[C@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)CCCO1 ZINC001200721062 1259419474 /nfs/dbraw/zinc/41/94/74/1259419474.db2.gz FWJHDGRAYUWBKF-GVDBMIGSSA-N 0 3 360.458 0.728 20 30 FCEDHN COCC#CCN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1c1ccccc1 ZINC001211709094 1259427436 /nfs/dbraw/zinc/42/74/36/1259427436.db2.gz BQRICCBNFIBVRV-OKZBNKHCSA-N 0 3 355.438 0.499 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)[C@H](OC)C1 ZINC001212281952 1259452384 /nfs/dbraw/zinc/45/23/84/1259452384.db2.gz FLUXEOCKHIJOPA-NUEKZKHPSA-N 0 3 361.446 0.544 20 30 FCEDHN C=CCOCCN1C[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)nc3C2)[C@H](OC)C1 ZINC001212484872 1259522572 /nfs/dbraw/zinc/52/25/72/1259522572.db2.gz GVUAMWUSRFZPCA-BMGDILEWSA-N 0 3 362.474 0.841 20 30 FCEDHN C=CCOCCN1C[C@@H](NC(=O)[C@H]2CCc3nc(C)[nH]c3C2)[C@H](OC)C1 ZINC001212484872 1259522576 /nfs/dbraw/zinc/52/25/76/1259522576.db2.gz GVUAMWUSRFZPCA-BMGDILEWSA-N 0 3 362.474 0.841 20 30 FCEDHN CCCCCCCN1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H](OC)C1 ZINC001212489938 1259523395 /nfs/dbraw/zinc/52/33/95/1259523395.db2.gz ZZKQFDYZHKGPHW-IAGOWNOFSA-N 0 3 368.522 0.546 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ncn(C(C)(C)C)n2)C[C@H]1C ZINC001215536172 1259534656 /nfs/dbraw/zinc/53/46/56/1259534656.db2.gz KSVIDBVHJKWQHK-HZSPNIEDSA-N 0 3 362.478 0.774 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccn3cc(C)nc3c2)C[C@H]1C ZINC001215536109 1259534826 /nfs/dbraw/zinc/53/48/26/1259534826.db2.gz INMQEIRAUZRHSK-UKPHBRMFSA-N 0 3 367.453 0.831 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc3c(c2)CCN3C)C[C@H]1C ZINC001216229384 1259537393 /nfs/dbraw/zinc/53/73/93/1259537393.db2.gz HYGNVFROUQXTOP-RHSMWYFYSA-N 0 3 354.454 0.478 20 30 FCEDHN C=CCCOCC(=O)N1CC[C@H]2CCN(CCN3C(=O)CNC3=O)[C@H]2C1 ZINC001224275377 1259540305 /nfs/dbraw/zinc/54/03/05/1259540305.db2.gz HACQOGUYCSRNOL-CABCVRRESA-N 0 3 364.446 0.054 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]nc1C ZINC001227870748 1259542070 /nfs/dbraw/zinc/54/20/70/1259542070.db2.gz ZDNRSIFHLCWIAH-ZIAGYGMSSA-N 0 3 362.434 0.361 20 30 FCEDHN C=CCN1CCN(C)C2(CCN([C@H]3CC[C@@H](C(=O)OC)NC3)CC2)C1=O ZINC001246743187 1259677513 /nfs/dbraw/zinc/67/75/13/1259677513.db2.gz UBDDUPPBUPFKRH-HOTGVXAUSA-N 0 3 364.490 0.075 20 30 FCEDHN C=CCN(CC=C)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001265921543 1260420752 /nfs/dbraw/zinc/42/07/52/1260420752.db2.gz RHNMUFBVZQZWEN-FWCYYJLNSA-N 0 3 359.470 0.801 20 30 FCEDHN C#CCNC(=O)[C@@H]1CC12CCN(C(=O)CCCN1CCN(C)CC1)CC2 ZINC001272633163 1260468193 /nfs/dbraw/zinc/46/81/93/1260468193.db2.gz RCXFNSVVDUOXGB-KRWDZBQOSA-N 0 3 360.502 0.392 20 30 FCEDHN C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001337994557 1260532422 /nfs/dbraw/zinc/53/24/22/1260532422.db2.gz BZJLGHQZNKNJIW-LSDHHAIUSA-N 0 3 360.462 0.226 20 30 FCEDHN N#CC1(C(=O)N2CC3(C2)CCCN(C[C@H]2CCC(=O)N2)C3)CCOCC1 ZINC001278471921 1260696502 /nfs/dbraw/zinc/69/65/02/1260696502.db2.gz YSTHPYYQLJORBJ-OAHLLOKOSA-N 0 3 360.458 0.510 20 30 FCEDHN C#CCCCN1CCn2c(nnc2C(=O)N2CC3(CC(O)C3)C2)C[C@H]1C ZINC001279749774 1260927666 /nfs/dbraw/zinc/92/76/66/1260927666.db2.gz JUIGLCXPGPLUML-CQSZACIVSA-N 0 3 357.458 0.535 20 30 FCEDHN C=CCN(CCN1CC2(C[C@H]2C(=O)NCc2cnc[nH]2)C1)C(=O)OCC ZINC001280089008 1260996107 /nfs/dbraw/zinc/99/61/07/1260996107.db2.gz MPRRAHYSQKGPHG-HNNXBMFYSA-N 0 3 361.446 0.992 20 30 FCEDHN C=CCCCN1C[C@@H]2C(C(=O)NCc3cn4cccnc4n3)=NO[C@@H]2C1 ZINC001280120557 1261008903 /nfs/dbraw/zinc/00/89/03/1261008903.db2.gz KIOPUFINCVVKOM-LSDHHAIUSA-N 0 3 354.414 0.998 20 30 FCEDHN CC[C@H](C(N)=O)N1CCC2(CCN(C(=O)C3(C#N)CCOCC3)C2)CC1 ZINC001280214465 1261035391 /nfs/dbraw/zinc/03/53/91/1261035391.db2.gz YGKTWUGFOFQGBM-OAHLLOKOSA-N 0 3 362.474 0.885 20 30 FCEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCN(C)C1CC1 ZINC001345360647 1261684202 /nfs/dbraw/zinc/68/42/02/1261684202.db2.gz XADFDRIGGBXRAN-UHFFFAOYSA-N 0 3 358.442 0.744 20 30 FCEDHN NC[C@H](O)C(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001580325932 1278127425 /nfs/dbraw/zinc/12/74/25/1278127425.db2.gz STVLTPVDIBSHTI-ZLUOBGJFSA-N 0 3 356.213 0.935 20 30 FCEDHN C[C@@H](C#N)CNC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC001320036717 1263757710 /nfs/dbraw/zinc/75/77/10/1263757710.db2.gz KLJBBXMFYAXOJO-ZDUSSCGKSA-N 0 3 371.441 0.598 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC001323247220 1264377608 /nfs/dbraw/zinc/37/76/08/1264377608.db2.gz RQPFWQNKNPBSNF-CQSZACIVSA-N 0 3 362.474 0.270 20 30 FCEDHN C#CCOCCNC(=O)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC001323698668 1264489292 /nfs/dbraw/zinc/48/92/92/1264489292.db2.gz KWVJXZRMGRDHRM-UHFFFAOYSA-N 0 3 367.396 0.621 20 30 FCEDHN C#CCn1ccc(CN(CC)C(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)n1 ZINC001324017547 1264560818 /nfs/dbraw/zinc/56/08/18/1264560818.db2.gz UMQXIMPMQCSFQS-OAHLLOKOSA-N 0 3 357.458 0.631 20 30 FCEDHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCC1CCC(C#N)CC1 ZINC001324852456 1264716674 /nfs/dbraw/zinc/71/66/74/1264716674.db2.gz BQEJNIADDZIOFT-UHFFFAOYSA-N 0 3 363.506 0.528 20 30 FCEDHN C=C[C@@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001325100230 1264776394 /nfs/dbraw/zinc/77/63/94/1264776394.db2.gz QVLIVSYRERRHPC-HZPDHXFCSA-N 0 3 362.474 0.319 20 30 FCEDHN C[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001580407945 1278247965 /nfs/dbraw/zinc/24/79/65/1278247965.db2.gz VBNNEPXQBPORIR-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN C=C[C@@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001327203659 1265252377 /nfs/dbraw/zinc/25/23/77/1265252377.db2.gz WRMHPSVETRZXOT-MRXNPFEDSA-N 0 3 362.474 0.320 20 30 FCEDHN COCCn1c(C2CCN(C)CC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001514747692 1265371666 /nfs/dbraw/zinc/37/16/66/1265371666.db2.gz LECTUHKIIQDMSO-KRWDZBQOSA-N 0 3 373.505 0.910 20 30 FCEDHN C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC001333041837 1266527220 /nfs/dbraw/zinc/52/72/20/1266527220.db2.gz QIOYNXRIQQGSKP-DLBZAZTESA-N 0 3 374.485 0.108 20 30 FCEDHN C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1F ZINC001523055822 1266602892 /nfs/dbraw/zinc/60/28/92/1266602892.db2.gz CRHPFRPOJKUSBU-UONOGXRCSA-N 0 3 367.446 0.972 20 30 FCEDHN COCCNC(=O)C(C#N)C(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC001523895730 1266665403 /nfs/dbraw/zinc/66/54/03/1266665403.db2.gz SAFMPTMGISIVGO-CHWSQXEVSA-N 0 3 350.396 0.419 20 30 FCEDHN COCCNC(=O)C(C#N)C(=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC001523895740 1266666291 /nfs/dbraw/zinc/66/62/91/1266666291.db2.gz SAFMPTMGISIVGO-QWHCGFSZSA-N 0 3 350.396 0.419 20 30 FCEDHN C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001338785670 1268093825 /nfs/dbraw/zinc/09/38/25/1268093825.db2.gz NHPXWILZWWEPCG-HUUCEWRRSA-N 0 3 374.489 0.757 20 30 FCEDHN C=CCn1c(C[C@@H](C)O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001338821935 1268101693 /nfs/dbraw/zinc/10/16/93/1268101693.db2.gz OYLYXPVNRRPPCP-HUUCEWRRSA-N 0 3 362.478 0.130 20 30 FCEDHN C=CCn1c(CCCS(N)(=O)=O)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001338853115 1268107347 /nfs/dbraw/zinc/10/73/47/1268107347.db2.gz VNXYVJKXVWBVQM-ZIAGYGMSSA-N 0 3 370.523 0.604 20 30 FCEDHN C=CCn1c([C@@H]2CC=NO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001338920515 1268121342 /nfs/dbraw/zinc/12/13/42/1268121342.db2.gz GCAMZOJBZZABJT-GJZGRUSLSA-N 0 3 373.461 0.654 20 30 FCEDHN C=CCn1c([C@H]2CC=NO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001340416039 1268540698 /nfs/dbraw/zinc/54/06/98/1268540698.db2.gz UJLGRYGJIPCUBI-OAHLLOKOSA-N 0 3 373.461 0.656 20 30 FCEDHN C=CCn1c(-c2c[nH]nn2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 ZINC001340501724 1268568008 /nfs/dbraw/zinc/56/80/08/1268568008.db2.gz MVFRENIAKLRHAY-AWEZNQCLSA-N 0 3 358.450 0.798 20 30 FCEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C)C1=O)C(C)C ZINC001340557508 1268586274 /nfs/dbraw/zinc/58/62/74/1268586274.db2.gz QPIYVDFOYREWQL-CABCVRRESA-N 0 3 350.463 0.148 20 30 FCEDHN C#CCN(C)CCCNC(=O)Nc1cc(S(=O)(=O)NC)ccc1C ZINC001341026020 1268750105 /nfs/dbraw/zinc/75/01/05/1268750105.db2.gz RAAZIYLDWCXDAZ-UHFFFAOYSA-N 0 3 352.460 0.980 20 30 FCEDHN C=CCOCc1nnc(N2CCN(C3CCOCC3)CC2)n1CCOC ZINC001342774989 1269601784 /nfs/dbraw/zinc/60/17/84/1269601784.db2.gz ZRFIMGHGYJCAEB-UHFFFAOYSA-N 0 3 365.478 0.928 20 30 FCEDHN C=CCCC[C@@H](N)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC001343410039 1269900902 /nfs/dbraw/zinc/90/09/02/1269900902.db2.gz UDFCWNBWBAOQBF-MRXNPFEDSA-N 0 3 359.474 0.920 20 30 FCEDHN C=C(C)Cn1c(C2=NO[C@@H](CO)C2)nnc1N1CCN(CC2CC2)CC1 ZINC001343660520 1269976376 /nfs/dbraw/zinc/97/63/76/1269976376.db2.gz WLIKZJISZUCPKJ-OAHLLOKOSA-N 0 3 360.462 0.872 20 30 FCEDHN COCCCNC(=O)C(C#N)C(=O)C1CCN(C(=O)c2cccnc2)CC1 ZINC001343982037 1270067263 /nfs/dbraw/zinc/06/72/63/1270067263.db2.gz CUQHWZIGNNPGAE-INIZCTEOSA-N 0 3 372.425 0.795 20 30 FCEDHN C#CCCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H]2[C@@H](N)CS(=O)(=O)[C@@H]2C1 ZINC001574569719 1271368918 /nfs/dbraw/zinc/36/89/18/1271368918.db2.gz OUULBINABLCKHM-VNHYZAJKSA-N 0 3 374.470 0.247 20 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1271693876 /nfs/dbraw/zinc/69/38/76/1271693876.db2.gz SZUMUIDXDOATJD-HNAYVOBHSA-N 0 3 367.453 0.929 20 30 FCEDHN C=CCCCN1CCO[C@@]2(CCN(C(=O)CCOCc3cn[nH]n3)C2)C1 ZINC001575093111 1271716341 /nfs/dbraw/zinc/71/63/41/1271716341.db2.gz FPTXVJPSFORUNR-SFHVURJKSA-N 0 3 363.462 0.981 20 30 FCEDHN C[C@H](C#N)C(=O)N(Cc1cn[nH]n1)C1CCN([C@H]2CCCN(C)C2=O)CC1 ZINC001575178605 1271766937 /nfs/dbraw/zinc/76/69/37/1271766937.db2.gz PJVBNHKRQLTMPK-CJNGLKHVSA-N 0 3 373.461 0.378 20 30 FCEDHN C[C@@H](OCc1cn[nH]n1)C(=O)N(C)C[C@H](O)CNCC#Cc1ccccc1 ZINC001575720695 1272374336 /nfs/dbraw/zinc/37/43/36/1272374336.db2.gz VIJHIKWRSXFYGM-CRAIPNDOSA-N 0 3 371.441 0.170 20 30 FCEDHN C[C@H]1NCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@H]1C ZINC001576893497 1273891966 /nfs/dbraw/zinc/89/19/66/1273891966.db2.gz LXWRQUKUSMWIRV-OLZOCXBDSA-N 0 3 350.444 0.701 20 30 FCEDHN COCC#CCN(CCNC(=O)c1cncc(-c2cn[nH]n2)c1)C1CC1 ZINC001576952601 1273973527 /nfs/dbraw/zinc/97/35/27/1273973527.db2.gz IMYINFDAGGBURV-UHFFFAOYSA-N 0 3 354.414 0.711 20 30 FCEDHN COCC#CCN1CC[C@H](CCNC(=O)c2ccc(-c3c[nH]nn3)cn2)C1 ZINC001576952750 1273973681 /nfs/dbraw/zinc/97/36/81/1273973681.db2.gz KEXAYNHLSXQADS-HNNXBMFYSA-N 0 3 368.441 0.958 20 30 FCEDHN COCC#CCN1CCC([C@H](C)NC(=O)[C@@H](C)OCc2cn[nH]n2)CC1 ZINC001576954739 1273977578 /nfs/dbraw/zinc/97/75/78/1273977578.db2.gz ZNRKJDVKFVCQRE-LSDHHAIUSA-N 0 3 363.462 0.576 20 30 FCEDHN COc1ccc(C#N)cc1CNCCN(C)C(=O)[C@H](C)OCc1cn[nH]n1 ZINC001577058230 1274123758 /nfs/dbraw/zinc/12/37/58/1274123758.db2.gz UEFJQXCRTPBLJU-ZDUSSCGKSA-N 0 3 372.429 0.838 20 30 FCEDHN CCCN(C)C(=O)[C@H]1CSCN1C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC001577495527 1274452045 /nfs/dbraw/zinc/45/20/45/1274452045.db2.gz NXYJDKZLRXVCEZ-YXXKGXSTSA-N 0 3 350.488 0.896 20 30 FCEDHN CN(Cc1ccccc1)C[C@H](N)C(=O)NCCNc1ccc(C#N)cn1 ZINC001578493698 1275914964 /nfs/dbraw/zinc/91/49/64/1275914964.db2.gz KDEFCQMTAMQKKU-KRWDZBQOSA-N 0 3 352.442 0.941 20 30 FCEDHN N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCCCC2)CCO1 ZINC001712884218 1287252205 /nfs/dbraw/zinc/25/22/05/1287252205.db2.gz IMHMBELRJAVRSJ-GJZGRUSLSA-N 0 3 373.461 0.444 20 30 FCEDHN Cn1cc([C@@H]2C[C@H]2C(=O)N2CCCC[C@H]2CNCC(=O)NCC#N)cn1 ZINC001713266013 1287272788 /nfs/dbraw/zinc/27/27/88/1287272788.db2.gz DIXVWKNBNWJGHD-HRCADAONSA-N 0 3 358.446 0.134 20 30 FCEDHN COCC#CC[NH2+][C@@H]1CCCCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001579618139 1277663872 /nfs/dbraw/zinc/66/38/72/1277663872.db2.gz IQEYHLIAEIMEDX-OAHLLOKOSA-N 0 3 371.445 0.819 20 30 FCEDHN COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C12CCC2 ZINC001579618476 1277664241 /nfs/dbraw/zinc/66/42/41/1277664241.db2.gz KXYOUUKOYKOLPR-LSDHHAIUSA-N 0 3 369.429 0.475 20 30 FCEDHN COCC#CC[NH2+][C@@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C12CCC2 ZINC001579618966 1277666283 /nfs/dbraw/zinc/66/62/83/1277666283.db2.gz NOEVPJFALHQMDI-HUUCEWRRSA-N 0 3 369.429 0.475 20 30 FCEDHN COCC#CC[NH2+][C@@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C12CCC2 ZINC001579618966 1277666289 /nfs/dbraw/zinc/66/62/89/1277666289.db2.gz NOEVPJFALHQMDI-HUUCEWRRSA-N 0 3 369.429 0.475 20 30 FCEDHN Cn1cc([C@@H]2C[C@H]2C(=O)NC[C@@H](O)CNCc2ccc(F)c(C#N)c2)cn1 ZINC001716103065 1287372316 /nfs/dbraw/zinc/37/23/16/1287372316.db2.gz MJMPHATXBRUMFF-YESZJQIVSA-N 0 3 371.416 0.801 20 30 FCEDHN C#CCCCC(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588338893 1282432629 /nfs/dbraw/zinc/43/26/29/1282432629.db2.gz QHLKSRUDGYZYPT-ZDUSSCGKSA-N 0 3 360.393 0.376 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588355332 1282452625 /nfs/dbraw/zinc/45/26/25/1282452625.db2.gz GXQSLKFDZFBNGM-NWDGAFQWSA-N 0 3 360.393 0.638 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588355332 1282452636 /nfs/dbraw/zinc/45/26/36/1282452636.db2.gz GXQSLKFDZFBNGM-NWDGAFQWSA-N 0 3 360.393 0.638 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@@H](C)CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001588356738 1282461765 /nfs/dbraw/zinc/46/17/65/1282461765.db2.gz FQCVNVWCWDPQJO-NWDGAFQWSA-N 0 3 360.393 0.638 20 30 FCEDHN C#CCO[C@H](C)C(=O)NCCC[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001588356901 1282463317 /nfs/dbraw/zinc/46/33/17/1282463317.db2.gz HKGJNCLDNDBRNG-CQSZACIVSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCO[C@H](C)C(=O)NCCC[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001588356901 1282463320 /nfs/dbraw/zinc/46/33/20/1282463320.db2.gz HKGJNCLDNDBRNG-CQSZACIVSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCO[C@H](C)C(=O)NCCC[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001588356901 1282463322 /nfs/dbraw/zinc/46/33/22/1282463322.db2.gz HKGJNCLDNDBRNG-CQSZACIVSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCO[C@H](C)C(=O)NCCC[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001588356901 1282463327 /nfs/dbraw/zinc/46/33/27/1282463327.db2.gz HKGJNCLDNDBRNG-CQSZACIVSA-N 0 3 356.430 0.843 20 30 FCEDHN C=C[C@](C)(O)CC(=O)NC/C=C/C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588505884 1282547825 /nfs/dbraw/zinc/54/78/25/1282547825.db2.gz ZCLGKQUWFLKWKB-DKFQHHCZSA-N 0 3 356.430 0.956 20 30 FCEDHN C=C[C@](C)(O)CC(=O)NC/C=C/C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001588505884 1282547834 /nfs/dbraw/zinc/54/78/34/1282547834.db2.gz ZCLGKQUWFLKWKB-DKFQHHCZSA-N 0 3 356.430 0.956 20 30 FCEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001588508946 1282551140 /nfs/dbraw/zinc/55/11/40/1282551140.db2.gz SKQBGUNFLHILGB-MGTHKWJCSA-N 0 3 368.441 0.740 20 30 FCEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001588508946 1282551147 /nfs/dbraw/zinc/55/11/47/1282551147.db2.gz SKQBGUNFLHILGB-MGTHKWJCSA-N 0 3 368.441 0.740 20 30 FCEDHN C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCO1 ZINC001588600449 1282582006 /nfs/dbraw/zinc/58/20/06/1282582006.db2.gz BLFNHTPNTXRMMN-CQSZACIVSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCO1 ZINC001588600449 1282582015 /nfs/dbraw/zinc/58/20/15/1282582015.db2.gz BLFNHTPNTXRMMN-CQSZACIVSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001588638370 1282603150 /nfs/dbraw/zinc/60/31/50/1282603150.db2.gz AXENGUPOHRUIRQ-CTYIDZIISA-N 0 3 369.429 0.235 20 30 FCEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001588638370 1282603158 /nfs/dbraw/zinc/60/31/58/1282603158.db2.gz AXENGUPOHRUIRQ-CTYIDZIISA-N 0 3 369.429 0.235 20 30 FCEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC001588641468 1282603721 /nfs/dbraw/zinc/60/37/21/1282603721.db2.gz FSZNUSQQNZIVOG-OAHLLOKOSA-N 0 3 357.418 0.553 20 30 FCEDHN C=CCN1CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1=O ZINC001588657842 1282607728 /nfs/dbraw/zinc/60/77/28/1282607728.db2.gz YCAQBMKNADKLJT-YPMHNXCESA-N 0 3 372.433 0.032 20 30 FCEDHN C=CCNC(=O)[C@@H](C)[NH2+][C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001588657433 1282609747 /nfs/dbraw/zinc/60/97/47/1282609747.db2.gz MWGHPLMIRRLTTH-BXUZGUMPSA-N 0 3 374.449 0.230 20 30 FCEDHN C=CCNC(=O)C[NH2+]CC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCC1 ZINC001588658957 1282611564 /nfs/dbraw/zinc/61/15/64/1282611564.db2.gz FYNIVKPTVGNUGK-UHFFFAOYSA-N 0 3 372.433 0.129 20 30 FCEDHN C=CCOCC[N@H+]1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C ZINC001588683447 1282645038 /nfs/dbraw/zinc/64/50/38/1282645038.db2.gz SSAAEQOMJVXXBQ-TZMCWYRMSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C ZINC001588683447 1282645057 /nfs/dbraw/zinc/64/50/57/1282645057.db2.gz SSAAEQOMJVXXBQ-TZMCWYRMSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[N@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C ZINC001588683447 1282645073 /nfs/dbraw/zinc/64/50/73/1282645073.db2.gz SSAAEQOMJVXXBQ-TZMCWYRMSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C ZINC001588683447 1282645090 /nfs/dbraw/zinc/64/50/90/1282645090.db2.gz SSAAEQOMJVXXBQ-TZMCWYRMSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[NH2+][C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC001588682787 1282646037 /nfs/dbraw/zinc/64/60/37/1282646037.db2.gz JONAKRMBYXINFA-OCCSQVGLSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[NH2+][C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC001588682787 1282646050 /nfs/dbraw/zinc/64/60/50/1282646050.db2.gz JONAKRMBYXINFA-OCCSQVGLSA-N 0 3 359.434 0.980 20 30 FCEDHN C[C@@H](C#N)C(=O)N(C)CCOCC[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588926745 1282731023 /nfs/dbraw/zinc/73/10/23/1282731023.db2.gz UDBKGRXIWIYZSA-ZDUSSCGKSA-N 0 3 357.418 0.591 20 30 FCEDHN CCC1([NH2+]CC#CCOC)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001590498304 1283567514 /nfs/dbraw/zinc/56/75/14/1283567514.db2.gz OBQWGALTCPHDIH-UHFFFAOYSA-N 0 3 371.445 0.819 20 30 FCEDHN CCOC(=O)[C@H](C)CNC(=O)C(C#N)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001590749953 1283803822 /nfs/dbraw/zinc/80/38/22/1283803822.db2.gz FCVFMOCVEVTPSS-RISCZKNCSA-N 0 3 356.386 0.864 20 30 FCEDHN C[NH2+]CCCc1[nH]nc(NC(=O)c2cscc2-c2nnn[n-]2)c1C#N ZINC001591216283 1284351845 /nfs/dbraw/zinc/35/18/45/1284351845.db2.gz KPQVMFYDXSCIPC-UHFFFAOYSA-N 0 3 357.403 0.927 20 30 FCEDHN C[NH2+]CCCc1[nH]nc(NC(=O)c2cscc2-c2nn[n-]n2)c1C#N ZINC001591216283 1284351848 /nfs/dbraw/zinc/35/18/48/1284351848.db2.gz KPQVMFYDXSCIPC-UHFFFAOYSA-N 0 3 357.403 0.927 20 30 FCEDHN COCC#CC[NH2+]C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001591361148 1284496086 /nfs/dbraw/zinc/49/60/86/1284496086.db2.gz KAXMPKSNMMIMOQ-CQSZACIVSA-N 0 3 359.434 0.579 20 30 FCEDHN COCC#CC[NH2+]CC[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001591361485 1284497579 /nfs/dbraw/zinc/49/75/79/1284497579.db2.gz MXFOMVJGWPEACQ-ZDUSSCGKSA-N 0 3 357.418 0.286 20 30 FCEDHN COCC#CC[NH2+]CC[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001591361485 1284497582 /nfs/dbraw/zinc/49/75/82/1284497582.db2.gz MXFOMVJGWPEACQ-ZDUSSCGKSA-N 0 3 357.418 0.286 20 30 FCEDHN COCC#CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001591361803 1284498170 /nfs/dbraw/zinc/49/81/70/1284498170.db2.gz NXSFQRIZCSFZJH-ZDUSSCGKSA-N 0 3 357.418 0.239 20 30 FCEDHN COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001591361803 1284498175 /nfs/dbraw/zinc/49/81/75/1284498175.db2.gz NXSFQRIZCSFZJH-ZDUSSCGKSA-N 0 3 357.418 0.239 20 30 FCEDHN COCC#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001591361454 1284498332 /nfs/dbraw/zinc/49/83/32/1284498332.db2.gz MRTJELDNYAIQFI-XJKSGUPXSA-N 0 3 371.445 0.675 20 30 FCEDHN COCC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001591363162 1284499178 /nfs/dbraw/zinc/49/91/78/1284499178.db2.gz ZHDMNJFQIYGFAL-AWEZNQCLSA-N 0 3 371.445 0.819 20 30 FCEDHN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)c1C#N ZINC001609290143 1289058460 /nfs/dbraw/zinc/05/84/60/1289058460.db2.gz PJHMHGKRBDDRNR-UHFFFAOYSA-N 0 3 352.362 0.261 20 30 FCEDHN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)c1C#N ZINC001609290143 1289058465 /nfs/dbraw/zinc/05/84/65/1289058465.db2.gz 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C#CCN1CCC[C@H]1C(=O)N[C@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001602721519 1287078939 /nfs/dbraw/zinc/07/89/39/1287078939.db2.gz MSZZQNKGDJOUCP-CJNGLKHVSA-N 0 3 368.445 0.006 20 30 FCEDHN C=C(C[NH+](C)C)C(=O)Nc1ccccc1-n1ncc(-c2nnn[n-]2)c1N ZINC001602768300 1287109042 /nfs/dbraw/zinc/10/90/42/1287109042.db2.gz WHYCLAXKFRBNFA-UHFFFAOYSA-N 0 3 353.390 0.691 20 30 FCEDHN C=C(C[NH+](C)C)C(=O)Nc1ccccc1-n1ncc(-c2nn[n-]n2)c1N ZINC001602768300 1287109044 /nfs/dbraw/zinc/10/90/44/1287109044.db2.gz WHYCLAXKFRBNFA-UHFFFAOYSA-N 0 3 353.390 0.691 20 30 FCEDHN C#CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1ccc2nonc2c1 ZINC001692084150 1289390070 /nfs/dbraw/zinc/39/00/70/1289390070.db2.gz WEFYVXNASKUJGZ-HIFRSBDPSA-N 0 3 369.425 0.803 20 30 FCEDHN C=CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1nc2ncccn2n1 ZINC001692090416 1289399230 /nfs/dbraw/zinc/39/92/30/1289399230.db2.gz ZHWQRTSWZJQPBF-KGLIPLIRSA-N 0 3 371.445 0.257 20 30 FCEDHN C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)N(C)C ZINC001611478696 1289651159 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COCCN(C)CCN1C[C@@H](NC(=O)c2csc(C#N)c2)CC1=O ZINC001329159501 871854337 /nfs/dbraw/zinc/85/43/37/871854337.db2.gz BRAYTAOGYHSVEF-ZDUSSCGKSA-N 0 3 350.444 0.529 20 30 FCEDHN COCCN1CCC[C@H](NC(=O)CCNC(=O)C2N=CC=CC2=O)C1 ZINC001329293418 871938296 /nfs/dbraw/zinc/93/82/96/871938296.db2.gz XHCFOUBCWIEEQQ-CMTMBAJVSA-N 0 3 350.419 0.130 20 30 FCEDHN C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1cc(C)nc(C)c1 ZINC001330022503 872425833 /nfs/dbraw/zinc/42/58/33/872425833.db2.gz TXJCFTBBDQSBSE-LLVKDONJSA-N 0 3 359.473 0.193 20 30 FCEDHN C=CC(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001573304601 947140587 /nfs/dbraw/zinc/14/05/87/947140587.db2.gz CUQNFWOCTPHHGW-CYBMUJFWSA-N 0 3 374.445 0.654 20 30 FCEDHN C=CC(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001573304601 947140593 /nfs/dbraw/zinc/14/05/93/947140593.db2.gz CUQNFWOCTPHHGW-CYBMUJFWSA-N 0 3 374.445 0.654 20 30 FCEDHN C=CCCC[NH2+]C1CCN(CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573335862 947492556 /nfs/dbraw/zinc/49/25/56/947492556.db2.gz WBMBMFPSYVQRLF-UHFFFAOYSA-N 0 3 372.477 0.945 20 30 FCEDHN C=CCCC[NH2+]C1CCN(CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573335862 947492565 /nfs/dbraw/zinc/49/25/65/947492565.db2.gz WBMBMFPSYVQRLF-UHFFFAOYSA-N 0 3 372.477 0.945 20 30 FCEDHN C=CCOCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21 ZINC001573343016 947550181 /nfs/dbraw/zinc/55/01/81/947550181.db2.gz ICLGGDSMVGZAMQ-OSYLJGHBSA-N 0 3 368.441 0.863 20 30 FCEDHN C=CCOCC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21 ZINC001573343016 947550190 /nfs/dbraw/zinc/55/01/90/947550190.db2.gz ICLGGDSMVGZAMQ-OSYLJGHBSA-N 0 3 368.441 0.863 20 30 FCEDHN C=CCOCC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21 ZINC001573343016 947550200 /nfs/dbraw/zinc/55/02/00/947550200.db2.gz ICLGGDSMVGZAMQ-OSYLJGHBSA-N 0 3 368.441 0.863 20 30 FCEDHN C=CCOCC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21 ZINC001573343016 947550208 /nfs/dbraw/zinc/55/02/08/947550208.db2.gz ICLGGDSMVGZAMQ-OSYLJGHBSA-N 0 3 368.441 0.863 20 30 FCEDHN C=CCOCC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001573343218 947554784 /nfs/dbraw/zinc/55/47/84/947554784.db2.gz KYONCQHAIDSGFK-CALCHBBNSA-N 0 3 368.441 0.960 20 30 FCEDHN C=CCOCC(=O)N1C[C@@H]2C[N@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001573343218 947554789 /nfs/dbraw/zinc/55/47/89/947554789.db2.gz KYONCQHAIDSGFK-CALCHBBNSA-N 0 3 368.441 0.960 20 30 FCEDHN C=CCOCC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001573343218 947554794 /nfs/dbraw/zinc/55/47/94/947554794.db2.gz KYONCQHAIDSGFK-CALCHBBNSA-N 0 3 368.441 0.960 20 30 FCEDHN C=CCOCC(=O)N1C[C@@H]2C[N@H+](Cc3cccc(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001573343218 947554800 /nfs/dbraw/zinc/55/48/00/947554800.db2.gz KYONCQHAIDSGFK-CALCHBBNSA-N 0 3 368.441 0.960 20 30 FCEDHN C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574983314 950215905 /nfs/dbraw/zinc/21/59/05/950215905.db2.gz NBRXHKQCBHINLY-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574983314 950215920 /nfs/dbraw/zinc/21/59/20/950215920.db2.gz NBRXHKQCBHINLY-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574983740 950238685 /nfs/dbraw/zinc/23/86/85/950238685.db2.gz RMRUIGHLCLRCFR-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574983740 950238706 /nfs/dbraw/zinc/23/87/06/950238706.db2.gz RMRUIGHLCLRCFR-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000410434118 529907831 /nfs/dbraw/zinc/90/78/31/529907831.db2.gz NKHJTDUKULVJFR-MRXNPFEDSA-N 0 3 371.441 0.487 20 30 FCEDHN COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000265420334 210130129 /nfs/dbraw/zinc/13/01/29/210130129.db2.gz IQOJMBSTGKDFKX-AWEZNQCLSA-N 0 3 373.457 0.505 20 30 FCEDHN CN1CCC(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)CC1 ZINC000284694856 213200001 /nfs/dbraw/zinc/20/00/01/213200001.db2.gz FEBQYZRUCUGPNQ-UHFFFAOYSA-N 0 3 355.442 0.417 20 30 FCEDHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCc1cccc(C#N)c1 ZINC000283913172 213033436 /nfs/dbraw/zinc/03/34/36/213033436.db2.gz IOQDCZLVMLCNCF-UHFFFAOYSA-N 0 3 357.458 0.270 20 30 FCEDHN COC(=O)CN1CCC(N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000190837397 209279972 /nfs/dbraw/zinc/27/99/72/209279972.db2.gz OUVBEQUULJYEFX-SFHVURJKSA-N 0 3 370.453 0.886 20 30 FCEDHN COC(=O)CN1CCC(N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000190837384 209279411 /nfs/dbraw/zinc/27/94/11/209279411.db2.gz OUVBEQUULJYEFX-GOSISDBHSA-N 0 3 370.453 0.886 20 30 FCEDHN Cn1c(NCc2ccccc2CN2CC[C@H](O)C2)c(C#N)c(=O)n(C)c1=O ZINC000181143943 209109634 /nfs/dbraw/zinc/10/96/34/209109634.db2.gz YINWOSUTYHZRRA-HNNXBMFYSA-N 0 3 369.425 0.134 20 30 FCEDHN N#Cc1cccc([C@H]2CN(C(=O)C(=O)N3CCCC[C@@H]3CN)CCO2)c1 ZINC000423617636 247076850 /nfs/dbraw/zinc/07/68/50/247076850.db2.gz GTIQQXHGEFMUSO-IAGOWNOFSA-N 0 3 356.426 0.798 20 30 FCEDHN COc1cccc(CC(=O)N2CCN(C(=O)[C@@H](N)CCCC#N)CC2)c1 ZINC000424114978 247169964 /nfs/dbraw/zinc/16/99/64/247169964.db2.gz TYMKYBPWKTWLGL-KRWDZBQOSA-N 0 3 358.442 0.930 20 30 FCEDHN CS(=O)(=O)N1CCc2c(cccc2NC(=O)[C@@H](N)CCCC#N)C1 ZINC000424110533 247170298 /nfs/dbraw/zinc/17/02/98/247170298.db2.gz DBKLVBGMPHVPSQ-AWEZNQCLSA-N 0 3 350.444 0.964 20 30 FCEDHN N#CCCC[C@H](N)C(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000424142905 247171282 /nfs/dbraw/zinc/17/12/82/247171282.db2.gz IWXJCAXHSDHZPU-WMZOPIPTSA-N 0 3 360.458 0.592 20 30 FCEDHN N#CCCC[C@@H](N)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000424152666 247173005 /nfs/dbraw/zinc/17/30/05/247173005.db2.gz ITTUAFMCDVSYGM-OAHLLOKOSA-N 0 3 358.446 0.258 20 30 FCEDHN CC1CCN(C[C@@H](O)CNC(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000435656670 248007933 /nfs/dbraw/zinc/00/79/33/248007933.db2.gz SXGNPQLKUHJTHV-HNNXBMFYSA-N 0 3 362.405 0.845 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccccc2OCCC(N)=O)CC1 ZINC000442315950 248284713 /nfs/dbraw/zinc/28/47/13/248284713.db2.gz NRMIWKVDTCNRCK-UHFFFAOYSA-N 0 3 374.441 0.646 20 30 FCEDHN CN(C)CCNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000471079924 250089373 /nfs/dbraw/zinc/08/93/73/250089373.db2.gz TYUGJWXPVSUKSP-UHFFFAOYSA-N 0 3 371.441 0.886 20 30 FCEDHN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)O1 ZINC000471107989 250090712 /nfs/dbraw/zinc/09/07/12/250090712.db2.gz VAZNIMMQJVHEIJ-IKGGRYGDSA-N 0 3 354.410 0.993 20 30 FCEDHN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@](C)(O)CCN(C)C ZINC000473271632 250213889 /nfs/dbraw/zinc/21/38/89/250213889.db2.gz KXMDYOPCEYTUIF-LJQANCHMSA-N 0 3 372.473 0.969 20 30 FCEDHN C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@](C)(O)CCN(C)C)cc1 ZINC000473276427 250214147 /nfs/dbraw/zinc/21/41/47/250214147.db2.gz BYVMUQZEADZEGV-QGZVFWFLSA-N 0 3 369.487 0.583 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCn2cnc(C#N)n2)cc1 ZINC000480973511 250304763 /nfs/dbraw/zinc/30/47/63/250304763.db2.gz UZKMLRPOYBEVAY-LLVKDONJSA-N 0 3 373.398 0.657 20 30 FCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN(C)CCN3CCCC3)CC2)o1 ZINC000089899201 208123371 /nfs/dbraw/zinc/12/33/71/208123371.db2.gz UDNLOXPRWRRAKX-UHFFFAOYSA-N 0 3 360.462 0.531 20 30 FCEDHN N#Cc1ccsc1NC(=O)CN1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000104067775 208181617 /nfs/dbraw/zinc/18/16/17/208181617.db2.gz IEAVRCPDVPIQFJ-AWEZNQCLSA-N 0 3 361.471 0.972 20 30 FCEDHN C[C@@H]1C[C@@H](C)CN(C(C)(C)CNS(=O)(=O)N2CCO[C@H](C#N)C2)C1 ZINC000409561459 230029692 /nfs/dbraw/zinc/02/96/92/230029692.db2.gz LFSQLEVDELRYAI-RBSFLKMASA-N 0 3 358.508 0.802 20 30 FCEDHN COCCN(CCC#N)S(=O)(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000410156966 230063237 /nfs/dbraw/zinc/06/32/37/230063237.db2.gz VRMYSVONDZDKLF-ZDUSSCGKSA-N 0 3 350.510 0.120 20 30 FCEDHN CCOC(=O)CO/N=C(/C(=O)N(C)CCCn1ccnc1)c1cc[nH]n1 ZINC000278446197 488875977 /nfs/dbraw/zinc/87/59/77/488875977.db2.gz FTSLCZLFKYPCLZ-HMMYKYKNSA-N 0 3 362.390 0.439 20 30 FCEDHN C[C@@H]1CN(CCCNC(=O)CNC(=O)c2ccc(C#N)cc2)CCCO1 ZINC000278812236 488897138 /nfs/dbraw/zinc/89/71/38/488897138.db2.gz ZTHGROFXRJQCMY-OAHLLOKOSA-N 0 3 358.442 0.905 20 30 FCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCn1cnc(C#N)n1 ZINC000287796922 488906833 /nfs/dbraw/zinc/90/68/33/488906833.db2.gz IGYAPBLLXPBUIS-UHFFFAOYSA-N 0 3 366.429 0.795 20 30 FCEDHN O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2CCCCNC2=O)CC1 ZINC000328948667 488954106 /nfs/dbraw/zinc/95/41/06/488954106.db2.gz MYFNKXYZOYDGHI-AWEZNQCLSA-N 0 3 351.451 0.649 20 30 FCEDHN CN1CCC2(CCCN2C(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000329041651 488962785 /nfs/dbraw/zinc/96/27/85/488962785.db2.gz DOHRHQTZWRSNFU-UHFFFAOYSA-N 0 3 358.508 0.885 20 30 FCEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cn(CC(=O)N(C)C)nn1)C(C)C ZINC000056969097 488262546 /nfs/dbraw/zinc/26/25/46/488262546.db2.gz FZINAKMPTYZLJL-MRXNPFEDSA-N 0 3 362.478 0.795 20 30 FCEDHN CCN1CCC(NC(=O)CN2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000060481413 488290481 /nfs/dbraw/zinc/29/04/81/488290481.db2.gz NGBYUAKZWSZTHT-UHFFFAOYSA-N 0 3 356.474 0.676 20 30 FCEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCN1C(=O)CCC1=O ZINC000065931043 488323275 /nfs/dbraw/zinc/32/32/75/488323275.db2.gz OHGGZRXAIJRHCL-UHFFFAOYSA-N 0 3 356.426 0.988 20 30 FCEDHN C#CCN1CCC(C(=O)Nc2ccc(CC(=O)NCC(=O)OC)cc2)CC1 ZINC000067165740 488345500 /nfs/dbraw/zinc/34/55/00/488345500.db2.gz MGCMIRDIMDXPJE-UHFFFAOYSA-N 0 3 371.437 0.802 20 30 FCEDHN C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)cc1 ZINC000073989371 488387221 /nfs/dbraw/zinc/38/72/21/488387221.db2.gz ZWVMHOXCKHLZPQ-JKSUJKDBSA-N 0 3 361.467 0.907 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC000183565782 488393042 /nfs/dbraw/zinc/39/30/42/488393042.db2.gz ODQFPWJJLMXOCC-AWEZNQCLSA-N 0 3 358.508 0.702 20 30 FCEDHN CCN1CCN(c2cccc(Nc3c(C#N)c(=O)n(C)c(=O)n3C)c2)CC1 ZINC000184822622 488398185 /nfs/dbraw/zinc/39/81/85/488398185.db2.gz OKJLTIXZQQRMMU-UHFFFAOYSA-N 0 3 368.441 0.841 20 30 FCEDHN C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC2=CC[NH2+]CC2)ccc1F ZINC000186290684 488405274 /nfs/dbraw/zinc/40/52/74/488405274.db2.gz SMPNMSBKVWVURZ-UHFFFAOYSA-N 0 3 353.419 0.940 20 30 FCEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CN1CCC(=O)NC1=O ZINC000214167159 488439894 /nfs/dbraw/zinc/43/98/94/488439894.db2.gz DQLOGKSENNUYJM-UHFFFAOYSA-N 0 3 357.414 0.390 20 30 FCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CN1CCC(=O)NC1=O ZINC000213097087 488439937 /nfs/dbraw/zinc/43/99/37/488439937.db2.gz DBPQEUOJGYANEV-UHFFFAOYSA-N 0 3 357.414 0.390 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)N(C)C[C@H](O)CN2CCOCC2)CC1 ZINC000083720773 488448606 /nfs/dbraw/zinc/44/86/06/488448606.db2.gz IBWXSINQFOVTFZ-KRWDZBQOSA-N 0 3 354.495 0.361 20 30 FCEDHN N#Cc1cccc(NC(=O)CCN2CCC(CS(N)(=O)=O)CC2)c1 ZINC000089991852 488459493 /nfs/dbraw/zinc/45/94/93/488459493.db2.gz YQLGQOOLQRZDDC-UHFFFAOYSA-N 0 3 350.444 0.887 20 30 FCEDHN CCN1CCC[C@@H]1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000248060091 488493467 /nfs/dbraw/zinc/49/34/67/488493467.db2.gz YDEVZRFPZMDRIP-DZGCQCFKSA-N 0 3 364.471 0.826 20 30 FCEDHN C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@](C)(O)CN(C)C)c1 ZINC000269965429 488514824 /nfs/dbraw/zinc/51/48/24/488514824.db2.gz YPUBRJQCYPTYKC-INIZCTEOSA-N 0 3 355.460 0.193 20 30 FCEDHN CN(CCC#N)C[C@@H](O)CN[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000563013756 491207644 /nfs/dbraw/zinc/20/76/44/491207644.db2.gz LUFMYQANMBNCAI-ZWKOTPCHSA-N 0 3 355.442 0.850 20 30 FCEDHN CN(CCC#N)C[C@H](O)CNCc1cccc(C(=O)N2CCOCC2)c1 ZINC000562986726 491206060 /nfs/dbraw/zinc/20/60/60/491206060.db2.gz OFNNKYIKBFTHKQ-GOSISDBHSA-N 0 3 360.458 0.455 20 30 FCEDHN CN(CCc1ccccn1)C(=O)CNC[C@H](O)COc1ccc(C#N)cc1 ZINC000562989080 491206167 /nfs/dbraw/zinc/20/61/67/491206167.db2.gz DWDXVUWNKHMJPQ-SFHVURJKSA-N 0 3 368.437 0.984 20 30 FCEDHN Cn1c2ncn(CCNC3(c4cccc(C#N)c4)CC3)c2c(=O)n(C)c1=O ZINC000272212924 488568299 /nfs/dbraw/zinc/56/82/99/488568299.db2.gz DOUYUTHLSCZSSE-UHFFFAOYSA-N 0 3 364.409 0.584 20 30 FCEDHN C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C2=CCN(C)CC2)c1 ZINC000272767571 488604155 /nfs/dbraw/zinc/60/41/55/488604155.db2.gz QHUZNILDANLLAD-AWEZNQCLSA-N 0 3 361.467 0.978 20 30 FCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cnn(C)c1 ZINC000126462616 488609403 /nfs/dbraw/zinc/60/94/03/488609403.db2.gz MCTMOJIOXRBGIQ-UHFFFAOYSA-N 0 3 354.414 0.821 20 30 FCEDHN N#Cc1ccc(S(=O)(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)cn1 ZINC000127411262 488616913 /nfs/dbraw/zinc/61/69/13/488616913.db2.gz FYQFJXANWCNYAV-IAGOWNOFSA-N 0 3 364.471 0.999 20 30 FCEDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1cccc(C#N)c1 ZINC000263780407 488626147 /nfs/dbraw/zinc/62/61/47/488626147.db2.gz YKAVMTLTEJMGKW-INIZCTEOSA-N 0 3 371.441 0.556 20 30 FCEDHN CN(C)CCN1C[C@@H](C(=O)N2CC(Oc3ccc(C#N)cc3)C2)CC1=O ZINC000130600449 488638929 /nfs/dbraw/zinc/63/89/29/488638929.db2.gz ZFEUDSJPKURJIB-HNNXBMFYSA-N 0 3 356.426 0.558 20 30 FCEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000131531412 488647212 /nfs/dbraw/zinc/64/72/12/488647212.db2.gz XJWAWDUQLYWODI-IDHHARJASA-N 0 3 363.506 0.843 20 30 FCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](C)[C@@H]3CO)CC2)o1 ZINC000132845787 488655437 /nfs/dbraw/zinc/65/54/37/488655437.db2.gz ZYSJDYJHPSKGDY-CJNGLKHVSA-N 0 3 361.446 0.596 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ZINC000531115635 490941167 /nfs/dbraw/zinc/94/11/67/490941167.db2.gz HEVFIMCASMIFLV-OAHLLOKOSA-N 0 3 369.425 0.974 20 30 FCEDHN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H](O)CN(C)C ZINC000518672746 490948256 /nfs/dbraw/zinc/94/82/56/490948256.db2.gz CCUUFIJUWXYSOK-CHWSQXEVSA-N 0 3 364.471 0.916 20 30 FCEDHN CCN1CC[C@H](NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000562717257 491183943 /nfs/dbraw/zinc/18/39/43/491183943.db2.gz JNESUMGTAQDOMO-AWEZNQCLSA-N 0 3 350.444 0.389 20 30 FCEDHN CN(C)[C@H](CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)C1CC1 ZINC000572566916 491379096 /nfs/dbraw/zinc/37/90/96/491379096.db2.gz FVADAWWBFCZPLM-OAHLLOKOSA-N 0 3 367.413 0.534 20 30 FCEDHN CCCCN(C)CCNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000565531172 491382196 /nfs/dbraw/zinc/38/21/96/491382196.db2.gz FVPVGFLDXHVMJW-UHFFFAOYSA-N 0 3 372.473 0.450 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000572785876 491393585 /nfs/dbraw/zinc/39/35/85/491393585.db2.gz CAGXXKDZEIEDGT-GRDNDAEWSA-N 0 3 355.504 0.637 20 30 FCEDHN N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000572832887 491396409 /nfs/dbraw/zinc/39/64/09/491396409.db2.gz HJXBKYWLHURHLJ-UHFFFAOYSA-N 0 3 359.405 0.168 20 30 FCEDHN C=CCc1ccc(OC[C@H](O)CNCC(=O)N2CCOCC2)c(OC)c1 ZINC000565887091 491405430 /nfs/dbraw/zinc/40/54/30/491405430.db2.gz FKHCUCHPOMERLY-MRXNPFEDSA-N 0 3 364.442 0.612 20 30 FCEDHN CN(CCC(=O)Nc1sccc1C#N)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000566597691 491455472 /nfs/dbraw/zinc/45/54/72/491455472.db2.gz QZYJEVBRPDRGGV-GFCCVEGCSA-N 0 3 356.473 0.914 20 30 FCEDHN CN(C)CCn1ccc(NC(=O)N2CCN(c3cnccc3C#N)CC2)n1 ZINC000559438867 491472747 /nfs/dbraw/zinc/47/27/47/491472747.db2.gz ZEEKLVDLNKCZRG-UHFFFAOYSA-N 0 3 368.445 1.065 20 30 FCEDHN CCN1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cccc(C#N)n1 ZINC000567047503 491482392 /nfs/dbraw/zinc/48/23/92/491482392.db2.gz FSZQTVMGCLLOBF-MRXNPFEDSA-N 0 3 372.473 0.766 20 30 FCEDHN N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1Cl ZINC000567407663 491505001 /nfs/dbraw/zinc/50/50/01/491505001.db2.gz DOSOZZKYLKATPS-GWCFXTLKSA-N 0 3 354.819 0.144 20 30 FCEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC(=O)N(C)[C@H](C)C1)C(C)C ZINC000559868222 491506854 /nfs/dbraw/zinc/50/68/54/491506854.db2.gz VAIVYCHRPOILPP-HZPDHXFCSA-N 0 3 364.490 0.490 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000560008099 491513678 /nfs/dbraw/zinc/51/36/78/491513678.db2.gz BGZGGLHQQFHYOL-ZACQAIPSSA-N 0 3 366.506 0.084 20 30 FCEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCN(CC)CC1)C(C)C ZINC000574708150 491515197 /nfs/dbraw/zinc/51/51/97/491515197.db2.gz KIOBQEJAWXJEHZ-QGZVFWFLSA-N 0 3 350.507 0.965 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CCCN(C(C)=O)CC2)CC1 ZINC000567772836 491528730 /nfs/dbraw/zinc/52/87/30/491528730.db2.gz XUGYPKMKXDMLED-UHFFFAOYSA-N 0 3 350.463 0.224 20 30 FCEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC000567966509 491543837 /nfs/dbraw/zinc/54/38/37/491543837.db2.gz MMMQUQQMGWPQMS-KRWDZBQOSA-N 0 3 373.457 0.708 20 30 FCEDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)C(C)C#N)CC1 ZINC000568136209 491555118 /nfs/dbraw/zinc/55/51/18/491555118.db2.gz KMKVDCSYADVXRQ-LBPRGKRZSA-N 0 3 366.399 0.896 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NCCc2c[nH]c3ncccc23)CC1 ZINC000561412552 491605562 /nfs/dbraw/zinc/60/55/62/491605562.db2.gz MLDLWSZGODIUQQ-UHFFFAOYSA-N 0 3 355.442 0.988 20 30 FCEDHN CC(C)CN(CCN(C)C)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000576437003 491614461 /nfs/dbraw/zinc/61/44/61/491614461.db2.gz IORCPLKUADFMIL-UHFFFAOYSA-N 0 3 366.487 0.883 20 30 FCEDHN C=CCCCCNC(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000561740290 491628631 /nfs/dbraw/zinc/62/86/31/491628631.db2.gz RJMGWEKTCYUNLL-UHFFFAOYSA-N 0 3 352.479 0.518 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@@H](CNC(N)=O)C2)CC1 ZINC000577522578 491629394 /nfs/dbraw/zinc/62/93/94/491629394.db2.gz MSSWOQHMQMCWGC-AWEZNQCLSA-N 0 3 365.478 0.050 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000569184704 491640272 /nfs/dbraw/zinc/64/02/72/491640272.db2.gz XMAQONUTPMCJKG-AEFFLSMTSA-N 0 3 364.490 0.917 20 30 FCEDHN N#Cc1ncn(CCNC[C@@H](O)COc2ccc(Br)cc2)n1 ZINC000577723051 491645967 /nfs/dbraw/zinc/64/59/67/491645967.db2.gz BNQIJNXJUXPBRG-GFCCVEGCSA-N 0 3 366.219 0.942 20 30 FCEDHN C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000562023038 491648732 /nfs/dbraw/zinc/64/87/32/491648732.db2.gz SWJXQWIKWXCFRR-RDBSUJKOSA-N 0 3 370.523 0.993 20 30 FCEDHN N#Cc1ccc(S(=O)(=O)NCC(=O)NCCN2CCCCC2)cc1 ZINC000562070805 491651153 /nfs/dbraw/zinc/65/11/53/491651153.db2.gz PFXWCHABMCJUBV-UHFFFAOYSA-N 0 3 350.444 0.439 20 30 FCEDHN CN(C)[C@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)C[C@@H]1O ZINC000577885983 491660422 /nfs/dbraw/zinc/66/04/22/491660422.db2.gz ZHSLXXGRROMPSH-KBPBESRZSA-N 0 3 368.231 0.833 20 30 FCEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000585777712 491727001 /nfs/dbraw/zinc/72/70/01/491727001.db2.gz LPZCGTWYGOUBLH-XHSDSOJGSA-N 0 3 363.506 0.573 20 30 FCEDHN CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)Cn2cnc(C#N)n2)CC1 ZINC000588824620 491750120 /nfs/dbraw/zinc/75/01/20/491750120.db2.gz FAANFFRVXNUGJZ-HNNXBMFYSA-N 0 3 362.478 0.870 20 30 FCEDHN N#CCCC[C@H](N)C(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000581367115 491770068 /nfs/dbraw/zinc/77/00/68/491770068.db2.gz JCVPIRLXSUAUID-INIZCTEOSA-N 0 3 368.445 0.328 20 30 FCEDHN CN1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc(C#N)cn3)CC2)C1 ZINC000590228358 491770949 /nfs/dbraw/zinc/77/09/49/491770949.db2.gz XCKBWDAAOUXULF-HNNXBMFYSA-N 0 3 356.430 0.130 20 30 FCEDHN CC(C)[C@H](CNCCS(=O)(=O)c1ccc(C#N)cn1)N1CCOCC1 ZINC000581394337 491771361 /nfs/dbraw/zinc/77/13/61/491771361.db2.gz FZMYCQCUURJONG-INIZCTEOSA-N 0 3 366.487 0.673 20 30 FCEDHN N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cccc(CN)c3)CC2)c1 ZINC000591272349 491800800 /nfs/dbraw/zinc/80/08/00/491800800.db2.gz PFYYSLPVIQSBJE-UHFFFAOYSA-N 0 3 364.409 0.699 20 30 FCEDHN Cc1cc(NC(=O)NCCn2cnc(C#N)n2)n(C2CCN(C)CC2)n1 ZINC000582717342 491823697 /nfs/dbraw/zinc/82/36/97/491823697.db2.gz OMDHNUMQMYWQNX-UHFFFAOYSA-N 0 3 357.422 0.743 20 30 FCEDHN C[C@H](NC(=O)C(=O)N(CCN(C)C)CCN(C)C)c1ccc(C#N)cc1 ZINC000583743335 491850943 /nfs/dbraw/zinc/85/09/43/491850943.db2.gz HOIDHGKVDIEIIM-HNNXBMFYSA-N 0 3 359.474 0.687 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000611875973 491880294 /nfs/dbraw/zinc/88/02/94/491880294.db2.gz XOXWCACQNTVMKH-OIISXLGYSA-N 0 3 365.474 0.453 20 30 FCEDHN CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)n1 ZINC000595172377 491894762 /nfs/dbraw/zinc/89/47/62/491894762.db2.gz GWNHXMQDZGKDLY-AWEZNQCLSA-N 0 3 360.462 1.511 20 30 FCEDHN Cc1cc(NC(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)nn1CCC#N ZINC000595173070 491895382 /nfs/dbraw/zinc/89/53/82/491895382.db2.gz OGFCXUZGPMOMQT-AWEZNQCLSA-N 0 3 360.462 1.280 20 30 FCEDHN CN(C)CCCS(=O)(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000601289592 491901779 /nfs/dbraw/zinc/90/17/79/491901779.db2.gz PNMMHFMBMBHROE-UHFFFAOYSA-N 0 3 350.488 0.957 20 30 FCEDHN CN(C)CCCS(=O)(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000601401635 491913819 /nfs/dbraw/zinc/91/38/19/491913819.db2.gz ALEUHXCYHXBDSP-INIZCTEOSA-N 0 3 364.471 0.530 20 30 FCEDHN Cc1nsc(N2CCN(S(=O)(=O)CCCN(C)C)CC2)c1C#N ZINC000601416178 491915482 /nfs/dbraw/zinc/91/54/82/491915482.db2.gz NCHXRMZSYDGBPP-UHFFFAOYSA-N 0 3 357.505 0.727 20 30 FCEDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000602039144 491958181 /nfs/dbraw/zinc/95/81/81/491958181.db2.gz VEUFWRJJLRTPCS-ZDUSSCGKSA-N 0 3 361.421 0.778 20 30 FCEDHN C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)n1cc(CNCC#N)nn1 ZINC000603212242 492019647 /nfs/dbraw/zinc/01/96/47/492019647.db2.gz QTQVXUKTNXBSES-WBVHZDCISA-N 0 3 367.457 0.843 20 30 FCEDHN N#Cc1ccc(CNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)c(F)c1 ZINC000597245544 492024388 /nfs/dbraw/zinc/02/43/88/492024388.db2.gz ZRRCJDRXLWWNTH-MRXNPFEDSA-N 0 3 374.416 0.683 20 30 FCEDHN CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C1CCN(C)CC1 ZINC000603476604 492034316 /nfs/dbraw/zinc/03/43/16/492034316.db2.gz LKYZLHYHBXTRIK-UHFFFAOYSA-N 0 3 350.444 0.389 20 30 FCEDHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000597403423 492036596 /nfs/dbraw/zinc/03/65/96/492036596.db2.gz YZVQRSWJVODMAV-MRXNPFEDSA-N 0 3 370.457 0.202 20 30 FCEDHN C=C[C@@](C)(O)C(=O)N(C)CCN(CCN1CCCC1)C(=O)[C@](C)(O)C=C ZINC000614806414 492056672 /nfs/dbraw/zinc/05/66/72/492056672.db2.gz NMFFINVIZSGMGS-RTBURBONSA-N 0 3 367.490 0.243 20 30 FCEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC(n3cc(C(N)=O)nn3)CC2)cc1 ZINC000599576215 492190397 /nfs/dbraw/zinc/19/03/97/492190397.db2.gz LBEHBEBESUNTJL-HNNXBMFYSA-N 0 3 370.413 0.325 20 30 FCEDHN Cc1ccc(C#N)cc1S(=O)(=O)NCCCN1CCC[C@H](C(N)=O)C1 ZINC000609632512 492217338 /nfs/dbraw/zinc/21/73/38/492217338.db2.gz KWZOAOXEAXZBML-HNNXBMFYSA-N 0 3 364.471 0.732 20 30 FCEDHN Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)C(C)C#N)CC2)cc1 ZINC000609921875 492227404 /nfs/dbraw/zinc/22/74/04/492227404.db2.gz PBOFGKFXPCPGLH-HNNXBMFYSA-N 0 3 364.471 0.577 20 30 FCEDHN CN1C(=O)N[C@]2(CCC[C@H]2CN[C@H](C(N)=O)c2ccc(C#N)cc2)C1=O ZINC000610587208 492253068 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FCEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000644844620 492812908 /nfs/dbraw/zinc/81/29/08/492812908.db2.gz ZEHWDDGMVJTPJQ-RDJZCZTQSA-N 0 3 358.442 0.828 20 30 FCEDHN C=CCc1ccc(OC[C@H](O)CN2C[C@@H](O)C[C@]2(C)CO)c(OC)c1 ZINC000639852564 493057414 /nfs/dbraw/zinc/05/74/14/493057414.db2.gz BHVQJKOTXRLUSD-FRQCXROJSA-N 0 3 351.443 0.981 20 30 FCEDHN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C(C)C ZINC000668683155 493396065 /nfs/dbraw/zinc/39/60/65/493396065.db2.gz SIAMMLWXWCVXFM-CVEARBPZSA-N 0 3 372.535 0.717 20 30 FCEDHN C=CCn1cc(CNC(=O)NCC(=O)NCCN2CCCCCC2)nn1 ZINC000425536454 534458530 /nfs/dbraw/zinc/45/85/30/534458530.db2.gz FRFRRVNBXMMJSA-UHFFFAOYSA-N 0 3 363.466 0.256 20 30 FCEDHN C=CCn1cc(CNC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCCN3CC)C2)nn1 ZINC000424908670 534461007 /nfs/dbraw/zinc/46/10/07/534461007.db2.gz PXXDBTVESAGWPV-ZBFHGGJFSA-N 0 3 360.462 0.413 20 30 FCEDHN C[NH+]=C(NCCNC(=O)c1ccc([O-])cc1)N[C@@H]1CCc2nc(C)nn2C1 ZINC000262771630 526359790 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/nfs/dbraw/zinc/09/70/77/1194097077.db2.gz NACJEHZMIQEIHD-VVWQDTPRSA-N 0 3 367.490 0.291 20 30 FCEDHN C=CCCOCC(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC(=O)NC)C2)[C@H]1C(C)C ZINC001105675212 1194097319 /nfs/dbraw/zinc/09/73/19/1194097319.db2.gz NACJEHZMIQEIHD-OHDICMOHSA-N 0 3 367.490 0.291 20 30 FCEDHN C#Cc1ccc(C(=O)N2CC[C@H]3CN([C@@H]4CCC(=O)NC4=O)C[C@H]32)cc1 ZINC001076119187 1194311701 /nfs/dbraw/zinc/31/17/01/1194311701.db2.gz CXJVPIGPXJRCHC-GVDBMIGSSA-N 0 3 351.406 0.619 20 30 FCEDHN C#Cc1cncc(C(=O)N2CC[C@H]3CN(C[C@H](O)Cn4cccn4)C[C@H]32)c1 ZINC001076223081 1194357925 /nfs/dbraw/zinc/35/79/25/1194357925.db2.gz HIIXJHHQHBWZIW-YTQUADARSA-N 0 3 365.437 0.467 20 30 FCEDHN C=CCN1CC[C@@H](N2C[C@@H]3CCN(C(=O)c4ccc(C(N)=O)[nH]4)[C@@H]3C2)C1=O ZINC001076252631 1194375997 /nfs/dbraw/zinc/37/59/97/1194375997.db2.gz LJFMWKNMNRUDIJ-APHBMKBZSA-N 0 3 371.441 0.047 20 30 FCEDHN C=CCn1cc(C(=O)N2CC[C@H]3CN(C[C@@H]4CCc5ncnn54)C[C@H]32)nn1 ZINC001076336289 1194399628 /nfs/dbraw/zinc/39/96/28/1194399628.db2.gz RBIUIQZFXYGELL-OFQRWUPVSA-N 0 3 368.445 0.389 20 30 FCEDHN C=CCN1CC[C@H](N2C[C@@H]3CCN(C(=O)c4cnn5cc[nH]c45)[C@@H]3C2)C1=O ZINC001076502227 1194527919 /nfs/dbraw/zinc/52/79/19/1194527919.db2.gz SLWXODIDRLATEN-CWRNSKLLSA-N 0 3 368.441 0.596 20 30 FCEDHN C#CCN1CCC(C(=O)N2CC[C@H]3CN(Cc4cncn4C)C[C@H]32)CC1 ZINC001076604910 1194593253 /nfs/dbraw/zinc/59/32/53/1194593253.db2.gz XNFJCZSCZWYHOK-PKOBYXMFSA-N 0 3 355.486 0.798 20 30 FCEDHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1c(C#N)cccc1C(F)(F)F ZINC001218951673 1224270950 /nfs/dbraw/zinc/27/09/50/1224270950.db2.gz PQMSDRGYCBVHIA-XVKPBYJWSA-N 0 3 371.319 0.223 20 30 FCEDHN C=CCCCN1C[C@H]2OCCN(C(=O)c3ccc(C(=O)NC)nc3)[C@H]2C1 ZINC001218977009 1224276249 /nfs/dbraw/zinc/27/62/49/1224276249.db2.gz XGYRICSQIKIPCC-DLBZAZTESA-N 0 3 358.442 0.933 20 30 FCEDHN N#Cc1ccc(CN2CCCN(C[C@H](O)C[C@@]3(O)CCOC3)CC2)cc1 ZINC000905900436 1195605556 /nfs/dbraw/zinc/60/55/56/1195605556.db2.gz OWDPYTDKYHDEIG-UXHICEINSA-N 0 3 359.470 0.968 20 30 FCEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)CCCN3C(=O)CNC3=O)[C@H]2C1 ZINC001219028618 1224300341 /nfs/dbraw/zinc/30/03/41/1224300341.db2.gz RRHDDJQEZQOPRZ-LSDHHAIUSA-N 0 3 364.446 0.196 20 30 FCEDHN C=CCn1c(-c2ncon2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000908732592 1195762139 /nfs/dbraw/zinc/76/21/39/1195762139.db2.gz SNAFDOAHGWBLOF-UHFFFAOYSA-N 0 3 372.433 0.259 20 30 FCEDHN N#CCc1ccc(OC[C@H](O)CN[C@H]2CCN(C3CCOCC3)C2=O)cc1 ZINC000591747781 1196527315 /nfs/dbraw/zinc/52/73/15/1196527315.db2.gz HLPRSVAWSHEVKZ-MJGOQNOKSA-N 0 3 373.453 0.862 20 30 FCEDHN C#CCNC(=O)CC(=O)N1C[C@@H](CNCc2ccn(C(C)C)n2)[C@H](C)C1 ZINC001106034468 1196809884 /nfs/dbraw/zinc/80/98/84/1196809884.db2.gz FBOSRBRMTWWUGB-HZPDHXFCSA-N 0 3 359.474 0.788 20 30 FCEDHN Cc1nn(CC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(=O)n1C ZINC000593961337 1196842285 /nfs/dbraw/zinc/84/22/85/1196842285.db2.gz HNDUYPAMFSXNSM-UHFFFAOYSA-N 0 3 356.430 0.352 20 30 FCEDHN CCN(CC)CC(=O)N1C[C@@H](Nc2cncc(C#N)n2)[C@@H](n2ccnn2)C1 ZINC001089089595 1196894437 /nfs/dbraw/zinc/89/44/37/1196894437.db2.gz LWXVXSUUENKJOC-CABCVRRESA-N 0 3 369.433 0.146 20 30 FCEDHN C#CCOCCC(=O)N1C[C@@H](CNCc2cn(CC3CC3)nn2)[C@H](C)C1 ZINC001106115258 1197026985 /nfs/dbraw/zinc/02/69/85/1197026985.db2.gz ROXOJGSPOQPURN-NVXWUHKLSA-N 0 3 359.474 0.912 20 30 FCEDHN C#CCN1CCC(C(=O)N2C[C@H]3CN(C(=O)c4nc[nH]n4)C[C@@]3(C)C2)CC1 ZINC000993019753 1197682912 /nfs/dbraw/zinc/68/29/12/1197682912.db2.gz MTMBVEHYPAZCII-HNAYVOBHSA-N 0 3 370.457 0.070 20 30 FCEDHN COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000735592821 1197867516 /nfs/dbraw/zinc/86/75/16/1197867516.db2.gz GDKPODNFWVXZST-KBPBESRZSA-N 0 3 358.398 0.485 20 30 FCEDHN COCCNC(=O)C(C#N)C(=O)C[C@@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000741430308 1198097892 /nfs/dbraw/zinc/09/78/92/1198097892.db2.gz KBBJBHAKHRSFTQ-LSDHHAIUSA-N 0 3 366.462 0.926 20 30 FCEDHN CCN(CC)CC(=O)N1CCN(Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000766620241 1199054910 /nfs/dbraw/zinc/05/49/10/1199054910.db2.gz RYXQZNWTDIAILI-UHFFFAOYSA-N 0 3 371.485 0.652 20 30 FCEDHN N#Cc1c2c(cn(CN3CCN(C(=O)CN4CCCC4)CC3)c1=O)CCC2 ZINC000766638468 1199057770 /nfs/dbraw/zinc/05/77/70/1199057770.db2.gz UQMKWSXJPOAVOQ-UHFFFAOYSA-N 0 3 369.469 0.406 20 30 FCEDHN C#CCOCCC(=O)N[C@@H]1CN(CCCc2cccc(OC)c2)C[C@@H]1O ZINC001219612045 1224528065 /nfs/dbraw/zinc/52/80/65/1224528065.db2.gz WLWJRPQWEGHREO-MOPGFXCFSA-N 0 3 360.454 0.829 20 30 FCEDHN C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCCNC(C)=O ZINC001109121985 1200063325 /nfs/dbraw/zinc/06/33/25/1200063325.db2.gz QWELSBJZQWTEII-SQNIBIBYSA-N 0 3 367.490 0.843 20 30 FCEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC(=O)N(c3cn[nH]c3)C1)C2 ZINC001109288081 1200145298 /nfs/dbraw/zinc/14/52/98/1200145298.db2.gz PRISWHFVMFGSSO-JHNDHUHGSA-N 0 3 373.457 0.687 20 30 FCEDHN COCC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN3CC4CC3(C4)CO1)C2 ZINC001109538732 1200371509 /nfs/dbraw/zinc/37/15/09/1200371509.db2.gz PQCQKEMJKXKXAK-OWEAFNKSSA-N 0 3 359.470 0.221 20 30 FCEDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCNc1ccc(C#N)cn1 ZINC000770338930 1200433524 /nfs/dbraw/zinc/43/35/24/1200433524.db2.gz FAIDVGKKKRXAKD-HNNXBMFYSA-N 0 3 359.478 0.690 20 30 FCEDHN C#CCC1(C(=O)N[C@@H]2CN(CCCCCn3cncn3)C[C@@H]2O)CCC1 ZINC001219785366 1224612539 /nfs/dbraw/zinc/61/25/39/1224612539.db2.gz MBRYVVHINOQFGF-SJORKVTESA-N 0 3 359.474 0.803 20 30 FCEDHN CCCCCCCN1C[C@@H](NC(=O)[C@H](Cn2cccn2)N(C)C)[C@@H](O)C1 ZINC001219800138 1224619197 /nfs/dbraw/zinc/61/91/97/1224619197.db2.gz HXSHWOYDNPQFNA-SQNIBIBYSA-N 0 3 365.522 0.945 20 30 FCEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@H](Cn2cccn2)N(C)C)[C@@H](O)C1 ZINC001219799901 1224619922 /nfs/dbraw/zinc/61/99/22/1224619922.db2.gz BTNBKNAVYXYKFG-SQNIBIBYSA-N 0 3 363.506 0.721 20 30 FCEDHN C#CCNC(=O)C1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000771755914 1200630323 /nfs/dbraw/zinc/63/03/23/1200630323.db2.gz KGSWSLAKFMPHEK-LJQANCHMSA-N 0 3 370.497 0.867 20 30 FCEDHN C[C@H]1CCCN(CCNC(=O)C(=O)NCCNc2ccc(C#N)cn2)C1 ZINC000787676502 1200896353 /nfs/dbraw/zinc/89/63/53/1200896353.db2.gz NZEKJCMSAJTYIK-AWEZNQCLSA-N 0 3 358.446 0.329 20 30 FCEDHN C[C@@H](NC(=O)C(=O)NCCNc1ncccc1C#N)C1=CCN(C)CC1 ZINC000787775829 1200908537 /nfs/dbraw/zinc/90/85/37/1200908537.db2.gz GFUYLZUSXBNAKW-CYBMUJFWSA-N 0 3 356.430 0.248 20 30 FCEDHN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000792100438 1201173378 /nfs/dbraw/zinc/17/33/78/1201173378.db2.gz NKWUEFSDIPOOQS-CXAGYDPISA-N 0 3 365.393 0.933 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)CNC(=O)c2ccco2)[C@@H](n2ccnn2)C1 ZINC001129418294 1201301364 /nfs/dbraw/zinc/30/13/64/1201301364.db2.gz QOWSKSMYSNRFFT-KGLIPLIRSA-N 0 3 358.402 0.219 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)c2ccc(C(N)=O)nc2)[C@@H](n2ccnn2)C1 ZINC001129485161 1201332102 /nfs/dbraw/zinc/33/21/02/1201332102.db2.gz YIAXPPRAMOKSIM-CVEARBPZSA-N 0 3 369.429 0.394 20 30 FCEDHN C=CCOCC[NH2+][C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1n1ccnn1 ZINC001129582864 1201353948 /nfs/dbraw/zinc/35/39/48/1201353948.db2.gz SEYWRUIKUYPQGU-CVEARBPZSA-N 0 3 357.414 0.842 20 30 FCEDHN O=C(c1ccn[nH]1)N1C[C@@H](NCC#Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129595110 1201355816 /nfs/dbraw/zinc/35/58/16/1201355816.db2.gz XXTHEOPDAKHRFX-MSOLQXFVSA-N 0 3 361.409 0.708 20 30 FCEDHN N#Cc1cc(C(=O)N2C[C@@H](NCCOC3CCC3)[C@@H](n3ccnn3)C2)c[nH]1 ZINC001129762879 1201386599 /nfs/dbraw/zinc/38/65/99/1201386599.db2.gz RTJORADANLQBIC-SJORKVTESA-N 0 3 369.429 0.702 20 30 FCEDHN C#CCCCC(=O)N1C[C@@H](NCc2ccn(C)c(=O)c2)[C@@H](n2ccnn2)C1 ZINC001129795851 1201392213 /nfs/dbraw/zinc/39/22/13/1201392213.db2.gz RIALTLUPWOXAIX-SJORKVTESA-N 0 3 368.441 0.322 20 30 FCEDHN C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC001129797881 1201392629 /nfs/dbraw/zinc/39/26/29/1201392629.db2.gz OABPUDYXOMSHGH-OAGGEKHMSA-N 0 3 364.490 0.564 20 30 FCEDHN C#CCCCCC(=O)N1C[C@@H](NCCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001129777988 1201395052 /nfs/dbraw/zinc/39/50/52/1201395052.db2.gz HSZAZKJBWRIMSZ-CVEARBPZSA-N 0 3 356.434 0.105 20 30 FCEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCCO[C@H]1c1cnn(C)c1 ZINC001129787437 1201396468 /nfs/dbraw/zinc/39/64/68/1201396468.db2.gz NDVUKGUYSGYTGV-IMJJTQAJSA-N 0 3 363.462 0.284 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)[C@@H](OCC)C2CC2)C[C@@H]1n1ccnn1 ZINC001129844535 1201404347 /nfs/dbraw/zinc/40/43/47/1201404347.db2.gz GNPDIPNQXQUFOU-IKGGRYGDSA-N 0 3 363.462 0.637 20 30 FCEDHN O=C(CNCCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)NCC#Cc1ccccc1 ZINC001129891607 1201415254 /nfs/dbraw/zinc/41/52/54/1201415254.db2.gz OQJXTYLXVUNCOC-IAGOWNOFSA-N 0 3 365.437 0.387 20 30 FCEDHN C#CCC1(C(=O)N2C[C@@H](NCCn3cncn3)[C@@H](n3ccnn3)C2)CCC1 ZINC001129894611 1201428312 /nfs/dbraw/zinc/42/83/12/1201428312.db2.gz KYTOEZMVWRXTHX-CVEARBPZSA-N 0 3 368.445 0.105 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)CCc2cncnc2)C[C@@H]1n1ccnn1 ZINC001129932048 1201434599 /nfs/dbraw/zinc/43/45/99/1201434599.db2.gz KQQJISZHQKNWGB-SJORKVTESA-N 0 3 371.445 0.245 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2cn(CC)cn2)C[C@@H]1n1ccnn1 ZINC001130086244 1201494326 /nfs/dbraw/zinc/49/43/26/1201494326.db2.gz RWJKTOWQAODPGQ-ZBFHGGJFSA-N 0 3 359.434 0.352 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H](C)NC(=O)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130079344 1201496124 /nfs/dbraw/zinc/49/61/24/1201496124.db2.gz FYLAWBOVJBTOKI-ZNMIVQPWSA-N 0 3 362.478 0.747 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CCNC(=O)c2ccco2)C[C@@H]1n1ccnn1 ZINC001130115024 1201505820 /nfs/dbraw/zinc/50/58/20/1201505820.db2.gz PNFZBIHTZXTTLU-KGLIPLIRSA-N 0 3 358.402 0.219 20 30 FCEDHN C#CC[C@@H](CC(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1)c1ccccc1 ZINC001130158309 1201519127 /nfs/dbraw/zinc/51/91/27/1201519127.db2.gz BZZGKMCLEDZAQA-OTWHNJEPSA-N 0 3 367.453 0.809 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(F)cc2)[n-]1 ZINC001130181273 1201525348 /nfs/dbraw/zinc/52/53/48/1201525348.db2.gz FITAQFMIMZJOAS-GJZGRUSLSA-N 0 3 357.389 0.969 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccc(=O)[nH]2)[n-]1 ZINC001130198670 1201534797 /nfs/dbraw/zinc/53/47/97/1201534797.db2.gz UNHKXSKSEZIOEP-JSGCOSHPSA-N 0 3 370.413 0.321 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[n-]1 ZINC001130239887 1201549811 /nfs/dbraw/zinc/54/98/11/1201549811.db2.gz BORDNJLBECXKDH-LEOABGAYSA-N 0 3 373.457 0.474 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCC2(F)F)[n-]1 ZINC001130221156 1201550369 /nfs/dbraw/zinc/55/03/69/1201550369.db2.gz XJXSCLWSJTWEDO-XQQFMLRXSA-N 0 3 367.400 0.952 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cn2nc(C)cc2C)[n-]1 ZINC001130222963 1201551959 /nfs/dbraw/zinc/55/19/59/1201551959.db2.gz JWFISTPTGNDUOZ-GJZGRUSLSA-N 0 3 371.445 0.030 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCc2cccnc2)[n-]1 ZINC001130222793 1201552255 /nfs/dbraw/zinc/55/22/55/1201552255.db2.gz GIZVWZMRXLHVIN-HOTGVXAUSA-N 0 3 368.441 0.544 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnc(C)nc2C)[n-]1 ZINC001130244348 1201563771 /nfs/dbraw/zinc/56/37/71/1201563771.db2.gz HUCYYFLFEWBKOM-ZFWWWQNUSA-N 0 3 369.429 0.237 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c(C)n[nH]c2C)[n-]1 ZINC001130244647 1201565509 /nfs/dbraw/zinc/56/55/09/1201565509.db2.gz MRJXQDDPEMWRPE-STQMWFEESA-N 0 3 357.418 0.170 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)CCOC)[n-]1 ZINC001130246420 1201566346 /nfs/dbraw/zinc/56/63/46/1201566346.db2.gz KRUNZTKWPXGORC-KBPBESRZSA-N 0 3 363.462 0.579 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)CCOC)[n-]1 ZINC001130251442 1201570461 /nfs/dbraw/zinc/57/04/61/1201570461.db2.gz UWRAKMGGISITNU-KKUMJFAQSA-N 0 3 363.462 0.579 20 30 FCEDHN C=CCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCCN2CCNC2=O)C1 ZINC001130538252 1202711238 /nfs/dbraw/zinc/71/12/38/1202711238.db2.gz MHVJLYAJMSCHPE-GOEBONIOSA-N 0 3 360.462 0.296 20 30 FCEDHN Cn1cnc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2NCCNC(=O)C2CC2)c1 ZINC001130587560 1202724111 /nfs/dbraw/zinc/72/41/11/1202724111.db2.gz SGUOXUUSACALCR-FUHWJXTLSA-N 0 3 369.469 0.244 20 30 FCEDHN C#CCOCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCc2cnn(C)c2)C1 ZINC001130587635 1202724143 /nfs/dbraw/zinc/72/41/43/1202724143.db2.gz VJGYHBXPPGAISE-FUHWJXTLSA-N 0 3 370.457 0.278 20 30 FCEDHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NCCNc1ccc(C#N)cn1 ZINC000806330024 1202727222 /nfs/dbraw/zinc/72/72/22/1202727222.db2.gz YCXWPWBIROWIIL-OAHLLOKOSA-N 0 3 358.446 0.472 20 30 FCEDHN C#CCC[NH2+][C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1c1cn(C)cn1 ZINC001130652182 1202743216 /nfs/dbraw/zinc/74/32/16/1202743216.db2.gz HYVHFVGTNXYSEQ-DZGCQCFKSA-N 0 3 354.414 0.445 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)CCc2cncn2C)C[C@H]1c1cn(C)cn1 ZINC001130722070 1202767013 /nfs/dbraw/zinc/76/70/13/1202767013.db2.gz YZWHEWNKWRDELL-FUHWJXTLSA-N 0 3 354.458 0.694 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H](CCCC)NC(N)=O)C[C@H]1c1cn(C)cn1 ZINC001130739767 1202770718 /nfs/dbraw/zinc/77/07/18/1202770718.db2.gz NMPCLTRXRYRNST-OFQRWUPVSA-N 0 3 362.478 0.717 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](CCCC)NC(N)=O)C[C@H]1c1cn(C)cn1 ZINC001130739768 1202771121 /nfs/dbraw/zinc/77/11/21/1202771121.db2.gz NMPCLTRXRYRNST-SQWLQELKSA-N 0 3 362.478 0.717 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)n3cccn3)n[n-]2)O1 ZINC001130761606 1202778154 /nfs/dbraw/zinc/77/81/54/1202778154.db2.gz CPCAOEBYMZKMLL-QLFBSQMISA-N 0 3 371.445 0.712 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@@H](C)n3cccn3)n2)O1 ZINC001130761606 1202778156 /nfs/dbraw/zinc/77/81/56/1202778156.db2.gz CPCAOEBYMZKMLL-QLFBSQMISA-N 0 3 371.445 0.712 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[C@@H]3CCCO3)n[n-]2)O1 ZINC001130757919 1202780202 /nfs/dbraw/zinc/78/02/02/1202780202.db2.gz LSUOIRPBPVOLQZ-SOUVJXGZSA-N 0 3 361.446 0.823 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)CC[C@@H]3CCCO3)n2)O1 ZINC001130757919 1202780205 /nfs/dbraw/zinc/78/02/05/1202780205.db2.gz LSUOIRPBPVOLQZ-SOUVJXGZSA-N 0 3 361.446 0.823 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CCCCO3)n[n-]2)O1 ZINC001130775224 1202782735 /nfs/dbraw/zinc/78/27/35/1202782735.db2.gz PQTGIEQGXNRVMZ-ZNMIVQPWSA-N 0 3 361.446 0.823 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@@H]3CCCCO3)n2)O1 ZINC001130775224 1202782737 /nfs/dbraw/zinc/78/27/37/1202782737.db2.gz PQTGIEQGXNRVMZ-ZNMIVQPWSA-N 0 3 361.446 0.823 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCc3ccnn3C)n[n-]2)O1 ZINC001130785456 1202789648 /nfs/dbraw/zinc/78/96/48/1202789648.db2.gz OJMDFWOIFZBYGY-LSDHHAIUSA-N 0 3 371.445 0.230 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)CCc3ccnn3C)n2)O1 ZINC001130785456 1202789653 /nfs/dbraw/zinc/78/96/53/1202789653.db2.gz OJMDFWOIFZBYGY-LSDHHAIUSA-N 0 3 371.445 0.230 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnnc(C)c3)n[n-]2)O1 ZINC001130776974 1202791106 /nfs/dbraw/zinc/79/11/06/1202791106.db2.gz PCYLNTDEENSNQT-LSDHHAIUSA-N 0 3 369.429 0.666 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cnnc(C)c3)n2)O1 ZINC001130776974 1202791107 /nfs/dbraw/zinc/79/11/07/1202791107.db2.gz PCYLNTDEENSNQT-LSDHHAIUSA-N 0 3 369.429 0.666 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cnn(C)c3C)n[n-]2)O1 ZINC001130790019 1202797679 /nfs/dbraw/zinc/79/76/79/1202797679.db2.gz DBKDSLPWQLBMEP-LSDHHAIUSA-N 0 3 371.445 0.148 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)Cc3cnn(C)c3C)n2)O1 ZINC001130790019 1202797680 /nfs/dbraw/zinc/79/76/80/1202797680.db2.gz DBKDSLPWQLBMEP-LSDHHAIUSA-N 0 3 371.445 0.148 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc4n(n3)CCC4)n[n-]2)O1 ZINC001130790135 1202798453 /nfs/dbraw/zinc/79/84/53/1202798453.db2.gz JMKAJNIFPNZSJC-DZGCQCFKSA-N 0 3 369.429 0.320 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cc4n(n3)CCC4)n2)O1 ZINC001130790135 1202798456 /nfs/dbraw/zinc/79/84/56/1202798456.db2.gz JMKAJNIFPNZSJC-DZGCQCFKSA-N 0 3 369.429 0.320 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3(F)CCOCC3)n[n-]2)O1 ZINC001130790266 1202798911 /nfs/dbraw/zinc/79/89/11/1202798911.db2.gz PUJSRJXJWUTWDB-QWHCGFSZSA-N 0 3 365.409 0.383 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)C3(F)CCOCC3)n2)O1 ZINC001130790266 1202798916 /nfs/dbraw/zinc/79/89/16/1202798916.db2.gz PUJSRJXJWUTWDB-QWHCGFSZSA-N 0 3 365.409 0.383 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](OC)C(C)C)n[n-]2)O1 ZINC001130804338 1202800524 /nfs/dbraw/zinc/80/05/24/1202800524.db2.gz DNLXTTBQJLURIZ-SQWLQELKSA-N 0 3 363.462 0.925 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@H](OC)C(C)C)n2)O1 ZINC001130804338 1202800526 /nfs/dbraw/zinc/80/05/26/1202800526.db2.gz DNLXTTBQJLURIZ-SQWLQELKSA-N 0 3 363.462 0.925 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cccnc3C)n[n-]2)O1 ZINC001130809014 1202801552 /nfs/dbraw/zinc/80/15/52/1202801552.db2.gz BZXWACNJIUKXTD-JKSUJKDBSA-N 0 3 368.441 0.810 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cccc(OC)n3)n[n-]2)O1 ZINC001130815887 1202806877 /nfs/dbraw/zinc/80/68/77/1202806877.db2.gz FCKUEEFKRHQZNJ-GXTWGEPZSA-N 0 3 370.413 0.581 20 30 FCEDHN 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ZINC001131117793 1202864962 /nfs/dbraw/zinc/86/49/62/1202864962.db2.gz SDIPVYLBHSZADG-RBSFLKMASA-N 0 3 360.462 0.164 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)C2CCN(C(C)=O)CC2)C[C@H]1c1cncn1C ZINC001131119465 1202865338 /nfs/dbraw/zinc/86/53/38/1202865338.db2.gz DKLXIYIHPGCFTH-QZTJIDSGSA-N 0 3 371.485 0.586 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)C2)C[C@H]1c1cncn1C ZINC001131130518 1202869226 /nfs/dbraw/zinc/86/92/26/1202869226.db2.gz QLWQRVNBOSKVBP-BZUAXINKSA-N 0 3 357.458 0.196 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)C[C@H]1c1cncn1C ZINC001131136311 1202871218 /nfs/dbraw/zinc/87/12/18/1202871218.db2.gz GPQPFLPGUABQAF-BFYDXBDKSA-N 0 3 359.474 0.488 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccccn2)CC1 ZINC001131408836 1202894064 /nfs/dbraw/zinc/89/40/64/1202894064.db2.gz UQAQKRMJTNNFLB-QAPCUYQASA-N 0 3 371.441 0.321 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc[nH]2)CC1 ZINC001131424465 1202894621 /nfs/dbraw/zinc/89/46/21/1202894621.db2.gz KPGWQYWDJDVRIY-PBHICJAKSA-N 0 3 359.430 0.254 20 30 FCEDHN CO[C@@H](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2NCC(=O)NCC#N)CC1 ZINC001131451998 1202898464 /nfs/dbraw/zinc/89/84/64/1202898464.db2.gz ZDFZOWNCXCJADR-JOQOYGCGSA-N 0 3 366.462 0.037 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)C=C2CCC2)CC1 ZINC001131470438 1202900285 /nfs/dbraw/zinc/90/02/85/1202900285.db2.gz CHMAIJVZVNTCAS-XLIONFOSSA-N 0 3 359.470 0.832 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)C=C2CCC2)CC1 ZINC001131470634 1202900645 /nfs/dbraw/zinc/90/06/45/1202900645.db2.gz MFPPFFCEEDFQOY-APWZRJJASA-N 0 3 360.458 0.722 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)C#CC2CC2)CC1 ZINC001131493435 1202903200 /nfs/dbraw/zinc/90/32/00/1202903200.db2.gz BPZVUUHAQXHRAM-XLIONFOSSA-N 0 3 357.454 0.135 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc[nH]c2)CC1 ZINC001131500311 1202904256 /nfs/dbraw/zinc/90/42/56/1202904256.db2.gz RCQPWCBALPVORZ-AEFFLSMTSA-N 0 3 360.458 0.916 20 30 FCEDHN C=CC(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2NCC(=O)NCC#N)CC1 ZINC001131546350 1202912334 /nfs/dbraw/zinc/91/23/34/1202912334.db2.gz YPBAHVUHHHIIOT-WBVHZDCISA-N 0 3 362.474 0.824 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC23CC3)CC1 ZINC001131570432 1202915254 /nfs/dbraw/zinc/91/52/54/1202915254.db2.gz GGWQPMPQTGXHGU-INMHGKMJSA-N 0 3 360.458 0.412 20 30 FCEDHN C#CCN1CCN(C(=O)CN2CCCN3c4ccccc4C[C@@H]3C2)CC1 ZINC000810051945 1202939219 /nfs/dbraw/zinc/93/92/19/1202939219.db2.gz PQPNAVJEEZKTIA-LJQANCHMSA-N 0 3 352.482 0.901 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC001135067983 1203039941 /nfs/dbraw/zinc/03/99/41/1203039941.db2.gz VBZNOZABBGXBPI-KKUMJFAQSA-N 0 3 366.462 0.464 20 30 FCEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCN[C@@H](C)C(=O)NCCCOCC ZINC001135068050 1203040015 /nfs/dbraw/zinc/04/00/15/1203040015.db2.gz YNRJJDPMCDEIDA-ULQDDVLXSA-N 0 3 369.506 0.995 20 30 FCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000815860924 1203055984 /nfs/dbraw/zinc/05/59/84/1203055984.db2.gz IIXIYMCNISADNU-UHFFFAOYSA-N 0 3 354.414 0.336 20 30 FCEDHN C#CCN(C)CCCNC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O ZINC000818599487 1203143323 /nfs/dbraw/zinc/14/33/23/1203143323.db2.gz SYZVOHQNCLRZDU-UHFFFAOYSA-N 0 3 366.462 0.137 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2nnn(C)c2C)C[C@H]1c1ccc(OC)cc1 ZINC001090866993 1203320091 /nfs/dbraw/zinc/32/00/91/1203320091.db2.gz VOYZFTUOKCVYRW-DLBZAZTESA-N 0 3 353.426 0.963 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1c1ccc(OC)cc1 ZINC001090885568 1203331975 /nfs/dbraw/zinc/33/19/75/1203331975.db2.gz WAJRYZONHSECGW-FUHWJXTLSA-N 0 3 366.421 0.953 20 30 FCEDHN CCCN(C)CC(=O)N[C@@H]1CN(c2cc(C#N)nc(CC)n2)C[C@H]1OC ZINC001090907606 1204383662 /nfs/dbraw/zinc/38/36/62/1204383662.db2.gz LLZWYWUJZZDPAX-HUUCEWRRSA-N 0 3 360.462 0.572 20 30 FCEDHN CO[C@@H]1CN(c2cc(C)ncc2C#N)C[C@H]1NC(=O)[C@H](C1CC1)N(C)C ZINC001090922754 1204395313 /nfs/dbraw/zinc/39/53/13/1204395313.db2.gz ODKFARAHZFYVTB-NXHRZFHOSA-N 0 3 357.458 0.922 20 30 FCEDHN CCO[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1CNc1cnc(C#N)cn1 ZINC001091667035 1204812983 /nfs/dbraw/zinc/81/29/83/1204812983.db2.gz DMZUZQRKGZXTGW-GDBMZVCRSA-N 0 3 360.462 0.964 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cn(CCOC)nc2C)C[C@H]1c1cnn(C)c1 ZINC001086979052 1204877446 /nfs/dbraw/zinc/87/74/46/1204877446.db2.gz GMCKCADOXWRTDD-ZWKOTPCHSA-N 0 3 370.457 0.402 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)Cc2cn3ccccc3n2)C[C@H]1c1cnn(C)c1 ZINC001086984667 1204879139 /nfs/dbraw/zinc/87/91/39/1204879139.db2.gz XJNIDJKBZWZZQS-ZWKOTPCHSA-N 0 3 362.437 0.828 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCn3ccnc3C2)C[C@H]1c1cnn(C)c1 ZINC001086984758 1204879398 /nfs/dbraw/zinc/87/93/98/1204879398.db2.gz BXWBSHDIFUOQBY-HYVNUMGLSA-N 0 3 352.442 0.396 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCCn3nccc32)C[C@H]1c1cnn(C)c1 ZINC001086984970 1204879475 /nfs/dbraw/zinc/87/94/75/1204879475.db2.gz MOXVVIDPIDGSLC-IXDOHACOSA-N 0 3 352.442 0.711 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2c(C)[nH]cc2NC(C)=O)C[C@H]1c1cnn(C)c1 ZINC001086985524 1204879851 /nfs/dbraw/zinc/87/98/51/1204879851.db2.gz OQTRASHDODWFAW-DOTOQJQBSA-N 0 3 368.441 0.846 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cnn3c2OCCC3)C[C@H]1c1cnn(C)c1 ZINC001086986098 1204880641 /nfs/dbraw/zinc/88/06/41/1204880641.db2.gz WCTUGFKRRFZTPO-JKSUJKDBSA-N 0 3 354.414 0.230 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cnc3c(c2)ncn3C)C[C@H]1c1cnn(C)c1 ZINC001086991203 1204883253 /nfs/dbraw/zinc/88/32/53/1204883253.db2.gz QJLNOSIFNKZCMI-DOTOQJQBSA-N 0 3 363.425 0.533 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@H]2CCc3cnc(C)n3C2)C[C@H]1c1cnn(C)c1 ZINC001086993731 1204885172 /nfs/dbraw/zinc/88/51/72/1204885172.db2.gz OOMZDUDOYCAZIG-ZYSHUDEJSA-N 0 3 366.469 0.705 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cn3c(n2)CCCC3)C[C@H]1c1cnn(C)c1 ZINC001086981056 1204885755 /nfs/dbraw/zinc/88/57/55/1204885755.db2.gz MHEJOKFIRZWDFN-JKSUJKDBSA-N 0 3 352.442 0.784 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@H]2CCc3ncncc3C2)C[C@H]1c1cnn(C)c1 ZINC001086981981 1204886538 /nfs/dbraw/zinc/88/65/38/1204886538.db2.gz NTLQHQSSLYCQBH-UCLAIMLFSA-N 0 3 364.453 0.532 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2ccnc(N(C)C)c2)C[C@H]1c1cnn(C)c1 ZINC001087000110 1204889288 /nfs/dbraw/zinc/88/92/88/1204889288.db2.gz GWSQEFNODUTCEB-DLBZAZTESA-N 0 3 352.442 0.712 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2ccc(C)nc2OC)C[C@H]1c1cnn(C)c1 ZINC001087000671 1204889581 /nfs/dbraw/zinc/88/95/81/1204889581.db2.gz INEQATULUPUMPO-DLBZAZTESA-N 0 3 353.426 0.963 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cnn(CC3CC3)c2)C[C@H]1c1cnn(C)c1 ZINC001087004926 1204892424 /nfs/dbraw/zinc/89/24/24/1204892424.db2.gz CXNFBEVQHAQHQL-ZWKOTPCHSA-N 0 3 352.442 0.858 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@H]2COc3ccccc3O2)C[C@H]1c1cnn(C)c1 ZINC001087008288 1204896390 /nfs/dbraw/zinc/89/63/90/1204896390.db2.gz XSWJRMHKVMEJSL-FRQCXROJSA-N 0 3 366.421 0.777 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2ncc3n2CCCC3)C[C@H]1c1cnn(C)c1 ZINC001087010273 1204897702 /nfs/dbraw/zinc/89/77/02/1204897702.db2.gz TZCPMJYNQZIJKS-DLBZAZTESA-N 0 3 352.442 0.784 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@H](c2cccnc2)N(C)C)C[C@H]1c1cnn(C)c1 ZINC001087011211 1204898206 /nfs/dbraw/zinc/89/82/06/1204898206.db2.gz KHWUVXSCRWEMTM-OTWHNJEPSA-N 0 3 366.469 0.635 20 30 FCEDHN CCO[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1CNCc1ccccc1C#N ZINC001087090887 1204979822 /nfs/dbraw/zinc/97/98/22/1204979822.db2.gz IWWMRIPKVWLLOS-SJLPKXTDSA-N 0 3 368.441 0.954 20 30 FCEDHN CCO[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1CNCc1ccccc1C#N ZINC001087098017 1205006808 /nfs/dbraw/zinc/00/68/08/1205006808.db2.gz YYYORABPWOILKH-FGTMMUONSA-N 0 3 370.453 0.790 20 30 FCEDHN C=C1CC(C)(C(=O)N2C[C@H]3CN(CCN4C(=O)CNC4=O)C[C@@]3(C)C2)C1 ZINC001091995799 1205097129 /nfs/dbraw/zinc/09/71/29/1205097129.db2.gz KAIOFEMTXIHZMY-KUHUBIRLSA-N 0 3 360.458 0.675 20 30 FCEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)C(=O)NCc2ccc(F)cc2)[C@@H](O)C1 ZINC001220511549 1224896980 /nfs/dbraw/zinc/89/69/80/1224896980.db2.gz CGPMXSZBHAQPOP-XYPHTWIQSA-N 0 3 363.433 0.958 20 30 FCEDHN C=CCN1CC[C@H](N2C[C@@H](CNC(=O)c3ccn(CC)n3)[C@H](C)C2)C1=O ZINC001093024836 1205986667 /nfs/dbraw/zinc/98/66/67/1205986667.db2.gz GHASHIVFARZHRE-INMHGKMJSA-N 0 3 359.474 0.988 20 30 FCEDHN C=CCn1cc(C(=O)NC[C@@H]2CN([C@H]3CCCN(C)C3=O)C[C@H]2C)nn1 ZINC001093034767 1206000611 /nfs/dbraw/zinc/00/06/11/1206000611.db2.gz CNUFTSATQRCOBO-FMKPAKJESA-N 0 3 360.462 0.383 20 30 FCEDHN C#CCOc1ncccc1C(=O)NC[C@@H]1CN([C@@H](CC)C(N)=O)C[C@H]1C ZINC001093138222 1206035347 /nfs/dbraw/zinc/03/53/47/1206035347.db2.gz TZBPSXJSEOVRHB-FMKPAKJESA-N 0 3 358.442 0.655 20 30 FCEDHN C#Cc1ccc(C(=O)NC[C@@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]2C)cn1 ZINC001093142792 1206035879 /nfs/dbraw/zinc/03/58/79/1206035879.db2.gz CMOZKLWMRYUTMC-XNRPHZJLSA-N 0 3 354.410 0.166 20 30 FCEDHN C#CCN1CCC(C(=O)NC[C@@H]2CN(Cc3ccn(C)n3)C[C@H]2C)CC1 ZINC001093224225 1206062773 /nfs/dbraw/zinc/06/27/73/1206062773.db2.gz OEAVVZOKLCFKEY-SJLPKXTDSA-N 0 3 357.502 0.949 20 30 FCEDHN C#CCN1CCC(C(=O)NC[C@@H]2CN(Cc3nnc(C)o3)C[C@H]2C)CC1 ZINC001093224403 1206063157 /nfs/dbraw/zinc/06/31/57/1206063157.db2.gz UXXQBHLIHSMRBJ-RHSMWYFYSA-N 0 3 359.474 0.907 20 30 FCEDHN Cc1nc(CN[C@@H]2C[C@]3(CN(C(=O)C#CC4CC4)[C@@H]3C(C)C)C[C@H]2O)n[nH]1 ZINC001093441888 1206079872 /nfs/dbraw/zinc/07/98/72/1206079872.db2.gz BXPBSESOAJCHIF-XNFNUYLZSA-N 0 3 371.485 0.993 20 30 FCEDHN C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)nc[n-]c3=O)[C@@H]2C(C)C)C[C@H]1O ZINC001093460888 1206083842 /nfs/dbraw/zinc/08/38/42/1206083842.db2.gz ZTVRRYFDOCDNGW-UMHPPVOVSA-N 0 3 358.442 0.704 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@]3(C[C@@H](O)[C@H](NCC(N)=O)C3)[C@@H]2C(C)C)cc1 ZINC001093458109 1206088685 /nfs/dbraw/zinc/08/86/85/1206088685.db2.gz ASSVHUWJSSOFHC-REHHDOPLSA-N 0 3 369.465 0.733 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)N[C@@H](C)CC)CC1 ZINC001110146371 1206091077 /nfs/dbraw/zinc/09/10/77/1206091077.db2.gz XMANRXDXKKWNMO-NQYYFHDYSA-N 0 3 374.529 0.968 20 30 FCEDHN C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1CNCc1cc(F)ccc1C#N ZINC001093627466 1206094437 /nfs/dbraw/zinc/09/44/37/1206094437.db2.gz GDAGBAHMDHOROF-IUODEOHRSA-N 0 3 357.393 0.568 20 30 FCEDHN CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N ZINC001110152244 1206170924 /nfs/dbraw/zinc/17/09/24/1206170924.db2.gz KNUCXQIWBPTCDQ-NJAFHUGGSA-N 0 3 369.469 0.723 20 30 FCEDHN CN(CC(=O)N1CCOCC1)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173429538 1206274475 /nfs/dbraw/zinc/27/44/75/1206274475.db2.gz YTVPBATZGMZTKR-UHFFFAOYSA-N 0 3 370.453 0.953 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2CC)[C@H]1C ZINC001179197223 1206376285 /nfs/dbraw/zinc/37/62/85/1206376285.db2.gz SVZJUARMUNWSKC-XGUBFFRZSA-N 0 3 366.462 0.392 20 30 FCEDHN C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000773945893 1206414773 /nfs/dbraw/zinc/41/47/73/1206414773.db2.gz ZPBNMNXSJIIMPJ-GFCCVEGCSA-N 0 3 358.398 0.575 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@@H]1CCN(C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001184181810 1206465765 /nfs/dbraw/zinc/46/57/65/1206465765.db2.gz QASQHZUARLFXLQ-MDZRGWNJSA-N 0 3 362.474 0.898 20 30 FCEDHN 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C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCc1cn([C@H]2CCN(CCO)C2)nn1 ZINC001000029250 1215998329 /nfs/dbraw/zinc/99/83/29/1215998329.db2.gz HSDZNYBZUSVMFV-ULQDDVLXSA-N 0 3 363.462 0.505 20 30 FCEDHN C=CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)nn2)C1 ZINC001000034596 1215999696 /nfs/dbraw/zinc/99/96/96/1215999696.db2.gz XPNBFUQAPOBCOY-IXDOHACOSA-N 0 3 355.446 0.864 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CC[C@H]2CCN(CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001222675705 1225643334 /nfs/dbraw/zinc/64/33/34/1225643334.db2.gz BVFHTUITHBUAEH-OAGGEKHMSA-N 0 3 361.442 0.097 20 30 FCEDHN C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)c3c[nH]cc4ncnc3-4)C[C@@H]21 ZINC001222714770 1225647449 /nfs/dbraw/zinc/64/74/49/1225647449.db2.gz CPBVBMVGURRYJT-CJNGLKHVSA-N 0 3 366.425 0.244 20 30 FCEDHN N#Cc1ccc(CNC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)CCO2)cc1F ZINC001051828098 1216481655 /nfs/dbraw/zinc/48/16/55/1216481655.db2.gz WTRLKCHGZTZRGG-KFWWJZLASA-N 0 3 360.389 0.136 20 30 FCEDHN N#Cc1cc(CNC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)CCO2)ccc1F ZINC001051826885 1216482219 /nfs/dbraw/zinc/48/22/19/1216482219.db2.gz HEXSLXZBRPVUIR-KFWWJZLASA-N 0 3 360.389 0.136 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N(CCO)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001057733702 1216524824 /nfs/dbraw/zinc/52/48/24/1216524824.db2.gz UBWBMXBCDLMCPZ-ZACQAIPSSA-N 0 3 367.490 0.247 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(CCO)C(=O)C(C)(C)N(C)CC ZINC001057942664 1216606321 /nfs/dbraw/zinc/60/63/21/1216606321.db2.gz PELIMMABAKBRJK-HOTGVXAUSA-N 0 3 369.506 0.635 20 30 FCEDHN C#CCN(CC(=O)NC[C@H](C)N1CCN(CC)CC1)C(=O)OC(C)(C)C ZINC000827500572 1216622467 /nfs/dbraw/zinc/62/24/67/1216622467.db2.gz DEAIVYPZHBODKV-INIZCTEOSA-N 0 3 366.506 0.999 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)C[C@@H]2CCC(=O)NC2)[C@@H](n2ccnn2)C1 ZINC001069945012 1216858194 /nfs/dbraw/zinc/85/81/94/1216858194.db2.gz CQIBAJQJWFTEFJ-XHSDSOJGSA-N 0 3 360.462 0.502 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)Cc2c(C)nn(C)c2C)[C@@H](n2ccnn2)C1 ZINC001069990624 1216886530 /nfs/dbraw/zinc/88/65/30/1216886530.db2.gz YZTNAAJQSYUXFW-SJORKVTESA-N 0 3 357.462 0.789 20 30 FCEDHN C#Cc1cncc(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@@H]2n2ccnn2)c1 ZINC001070022215 1216900568 /nfs/dbraw/zinc/90/05/68/1216900568.db2.gz BWJFHGFEMIRZQT-NXHRZFHOSA-N 0 3 366.425 0.346 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)[C@@H](n2ccnn2)C1 ZINC001070026568 1216905321 /nfs/dbraw/zinc/90/53/21/1216905321.db2.gz CGTDUUUGBDZUEO-QXSJWSMHSA-N 0 3 360.462 0.487 20 30 FCEDHN C=CCNC(=O)CN1CC[C@@H]2CCN(C(=O)[C@@H](C)Cc3cnc[nH]3)C[C@@H]21 ZINC001223652544 1225723996 /nfs/dbraw/zinc/72/39/96/1225723996.db2.gz RZVUEVWCSXFJKE-UXLLHSPISA-N 0 3 359.474 0.813 20 30 FCEDHN CO[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001042869702 1217490758 /nfs/dbraw/zinc/49/07/58/1217490758.db2.gz XVPRLPRCKIYTHI-HZPDHXFCSA-N 0 3 354.414 0.856 20 30 FCEDHN C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1Nc1cncc(C#N)n1 ZINC001043641616 1217687885 /nfs/dbraw/zinc/68/78/85/1217687885.db2.gz VHGLAVIRAADNNF-DBFSDKRGSA-N 0 3 368.441 0.470 20 30 FCEDHN C[C@@H]1CCCN1CC(=O)N1CCO[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]21 ZINC001043790741 1217744527 /nfs/dbraw/zinc/74/45/27/1217744527.db2.gz IRKQEWUWZLNCLY-VNQPRFMTSA-N 0 3 356.430 0.249 20 30 FCEDHN C[C@H]1CCN(CC(=O)N2CCO[C@@H]3CN(c4cnc(C#N)cn4)C[C@@H]32)C1 ZINC001043791483 1217745203 /nfs/dbraw/zinc/74/52/03/1217745203.db2.gz QWTARBRLPKGFBN-CWRNSKLLSA-N 0 3 356.430 0.106 20 30 FCEDHN C[C@H]1CCCN1CC(=O)N1CCO[C@@H]2CN(c3ncccc3C#N)C[C@@H]21 ZINC001043791888 1217745265 /nfs/dbraw/zinc/74/52/65/1217745265.db2.gz VRCDDYCDVHGEMZ-BHYGNILZSA-N 0 3 355.442 0.854 20 30 FCEDHN CN(CC(=O)N1CCO[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21)C1CCC1 ZINC001043812669 1217752418 /nfs/dbraw/zinc/75/24/18/1217752418.db2.gz NQFFJHMBWYVXKQ-JKSUJKDBSA-N 0 3 356.430 0.249 20 30 FCEDHN Cc1ccc(C#N)c(N2C[C@@H](NC(=O)[C@H]3CCCN3C(C)C)[C@@H](O)C2)n1 ZINC001044190480 1217814784 /nfs/dbraw/zinc/81/47/84/1217814784.db2.gz BBAZPBPFROEZMQ-ZACQAIPSSA-N 0 3 357.458 0.800 20 30 FCEDHN C[C@@H](C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O)N1CCCCCC1 ZINC001044198343 1217816802 /nfs/dbraw/zinc/81/68/02/1217816802.db2.gz OGIOURCVUNXQET-ZNMIVQPWSA-N 0 3 358.446 0.278 20 30 FCEDHN CC#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)CC2)C1 ZINC001046046602 1217990815 /nfs/dbraw/zinc/99/08/15/1217990815.db2.gz AWUKUZUOPNGYKO-KZNAEPCWSA-N 0 3 355.486 0.765 20 30 FCEDHN CC#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)CC2)C1 ZINC001046066976 1217996028 /nfs/dbraw/zinc/99/60/28/1217996028.db2.gz LBHJVWLONUDTEW-GBESFXJTSA-N 0 3 355.486 0.765 20 30 FCEDHN O=C(Cn1cnnn1)N[C@@H]1CCCC[C@H]1NCC#Cc1ccc(F)cc1 ZINC001224706126 1225790144 /nfs/dbraw/zinc/79/01/44/1225790144.db2.gz QMCRBOSNYWTVRX-IAGOWNOFSA-N 0 3 356.405 0.881 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCCC(C)=O ZINC001224790108 1225793811 /nfs/dbraw/zinc/79/38/11/1225793811.db2.gz VPALOPNQBDDKHF-HUUCEWRRSA-N 0 3 366.462 0.775 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)OCC ZINC001225167322 1225804478 /nfs/dbraw/zinc/80/44/78/1225804478.db2.gz OCLVUYPHQBBIEO-RBSFLKMASA-N 0 3 368.478 0.830 20 30 FCEDHN C=CCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)N[C@H](C)COC ZINC001225259821 1225805372 /nfs/dbraw/zinc/80/53/72/1225805372.db2.gz QHKOBAPWSDEJFM-RBSFLKMASA-N 0 3 368.478 0.830 20 30 FCEDHN C=CCOCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCc1cccnc1 ZINC001225361633 1225807930 /nfs/dbraw/zinc/80/79/30/1225807930.db2.gz LGFMTZSNLBQWSV-IAGOWNOFSA-N 0 3 360.458 0.917 20 30 FCEDHN NC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#Cc1ccccc1 ZINC001225508268 1225814356 /nfs/dbraw/zinc/81/43/56/1225814356.db2.gz HDGHEQIJSKGQPO-IAGOWNOFSA-N 0 3 370.453 0.047 20 30 FCEDHN C#CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(C(C)C)n1 ZINC001225779631 1225823229 /nfs/dbraw/zinc/82/32/29/1225823229.db2.gz SEZSUTMFWHTOSQ-ZIAGYGMSSA-N 0 3 360.462 0.585 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CCN2CCN1CCNC1=O ZINC001049732942 1218539214 /nfs/dbraw/zinc/53/92/14/1218539214.db2.gz UAAKTGNJJWILCY-VQHPVUNQSA-N 0 3 362.474 0.668 20 30 FCEDHN C#CCOCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC[C@H]1CCOC1 ZINC001226171244 1225835168 /nfs/dbraw/zinc/83/51/68/1225835168.db2.gz YKLPHIVLSDLWSH-BRWVUGGUSA-N 0 3 365.474 0.196 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NC1CC1 ZINC001226187975 1225835669 /nfs/dbraw/zinc/83/56/69/1225835669.db2.gz NXCSHMXHFDCVDU-BPLDGKMQSA-N 0 3 364.446 0.030 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1cnn(C)c1 ZINC001097247975 1218740283 /nfs/dbraw/zinc/74/02/83/1218740283.db2.gz PQOKODQLBSCMIB-YRXWBPOGSA-N 0 3 355.486 0.782 20 30 FCEDHN N#CC(C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC1 ZINC000748482771 1218753640 /nfs/dbraw/zinc/75/36/40/1218753640.db2.gz OFOUDSVHRVBXIQ-ZDUSSCGKSA-N 0 3 359.342 0.381 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC(=O)N(C(C)C)C1 ZINC001226563436 1225846519 /nfs/dbraw/zinc/84/65/19/1225846519.db2.gz AUJGSSUZXFEQQK-ARFHVFGLSA-N 0 3 362.474 0.010 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1(COC)CCOCC1 ZINC001226648793 1225850125 /nfs/dbraw/zinc/85/01/25/1225850125.db2.gz MDWQYGGWWUWNTQ-HZPDHXFCSA-N 0 3 365.474 0.196 20 30 FCEDHN C#CCN1CCC(C(=O)NC[C@@H]2CN(c3nccnc3C#N)C[C@H]2C)CC1 ZINC001052925710 1218868013 /nfs/dbraw/zinc/86/80/13/1218868013.db2.gz YLSAYXGZICKRMI-NVXWUHKLSA-N 0 3 366.469 0.882 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2ncncc2C1 ZINC001226714214 1225852590 /nfs/dbraw/zinc/85/25/90/1225852590.db2.gz RMAUIEYBLGTLAI-BMGDILEWSA-N 0 3 371.485 0.901 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnc2n1CCOC2 ZINC001226886420 1225857079 /nfs/dbraw/zinc/85/70/79/1225857079.db2.gz ZNZQFTOBYISZBN-ZIAGYGMSSA-N 0 3 361.446 0.346 20 30 FCEDHN Cn1cnc2cc(C(=O)N[C@@H]3CCCC[C@H]3NCC(=O)NCC#N)ccc21 ZINC001227165093 1225864728 /nfs/dbraw/zinc/86/47/28/1225864728.db2.gz IZMTWPOEWAZUFJ-HUUCEWRRSA-N 0 3 368.441 0.844 20 30 FCEDHN Cn1cnn(CC(=O)N[C@@H]2CCCC[C@H]2NCC#Cc2ccccc2)c1=O ZINC001227183951 1225865214 /nfs/dbraw/zinc/86/52/14/1225865214.db2.gz COCGHWLRMHTYTC-QZTJIDSGSA-N 0 3 367.453 0.651 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2ccnc2C1 ZINC001227176066 1225865368 /nfs/dbraw/zinc/86/53/68/1225865368.db2.gz RYKBHBRFVHWGKI-RRFJBIMHSA-N 0 3 358.446 0.102 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001227193665 1225865745 /nfs/dbraw/zinc/86/57/45/1225865745.db2.gz UPFASRWTZFHAHU-CHWSQXEVSA-N 0 3 370.413 0.044 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn2c(n1)COCC2 ZINC001227065630 1225863008 /nfs/dbraw/zinc/86/30/08/1225863008.db2.gz KKOAGHOYEUUZQZ-ZIAGYGMSSA-N 0 3 361.446 0.346 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)nnn2C ZINC001227074050 1225863432 /nfs/dbraw/zinc/86/34/32/1225863432.db2.gz YPXRULUUXVSXRN-HUUCEWRRSA-N 0 3 370.457 0.901 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cncn1C ZINC001227310272 1225870072 /nfs/dbraw/zinc/87/00/72/1225870072.db2.gz BULQZPJJAJSMBL-CHWSQXEVSA-N 0 3 362.434 0.063 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H]2CCCC(=O)N2C)[C@@H](n2ccnn2)C1 ZINC001070086895 1219156855 /nfs/dbraw/zinc/15/68/55/1219156855.db2.gz SOFQHFXIBRZPKR-OAGGEKHMSA-N 0 3 360.462 0.597 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccn2ccnc2c1 ZINC001227459946 1225875267 /nfs/dbraw/zinc/87/52/67/1225875267.db2.gz WJSJBLVZMHMYAI-HUUCEWRRSA-N 0 3 354.414 0.605 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)C[C@@H](C)n2ccnc2CC)C[C@@H]1n1ccnn1 ZINC001070196766 1219287599 /nfs/dbraw/zinc/28/75/99/1219287599.db2.gz KORCBVRPEHVKBX-OAGGEKHMSA-N 0 3 355.446 0.663 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)CC)C2)C[C@@H]1n1ccnn1 ZINC001070200404 1219289310 /nfs/dbraw/zinc/28/93/10/1219289310.db2.gz MHCJEFBRCDUEIQ-OAGGEKHMSA-N 0 3 360.462 0.454 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccccn2)C[C@@H]1n1ccnn1 ZINC001070206745 1219293273 /nfs/dbraw/zinc/29/32/73/1219293273.db2.gz RDIGWKBAKOQFPN-CVEARBPZSA-N 0 3 364.413 0.905 20 30 FCEDHN C=CC[NH2+][C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C[C@@H]1n1ccnn1 ZINC001070228319 1219308125 /nfs/dbraw/zinc/30/81/25/1219308125.db2.gz UDRGMMRSIQCABH-SJORKVTESA-N 0 3 364.409 0.961 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cc2ccc3n[nH]cc3c2)C[C@@H]1n1ccnn1 ZINC001070231929 1219309942 /nfs/dbraw/zinc/30/99/42/1219309942.db2.gz WAJSWZWYYLPMAB-SJORKVTESA-N 0 3 351.414 0.925 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cnn(C)c2-n2cccc2)C[C@@H]1n1ccnn1 ZINC001070247220 1219317441 /nfs/dbraw/zinc/31/74/41/1219317441.db2.gz JJXVBPVAEUNDEX-CVEARBPZSA-N 0 3 366.429 0.644 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2CCc3cnn(C)c3C2)C[C@@H]1n1ccnn1 ZINC001070260846 1219331246 /nfs/dbraw/zinc/33/12/46/1219331246.db2.gz UWEBZTKSPZOZHR-LXZKKBNFSA-N 0 3 355.446 0.344 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2CCn3c(C)ncc3C2)C[C@@H]1n1ccnn1 ZINC001070275548 1219342856 /nfs/dbraw/zinc/34/28/56/1219342856.db2.gz RYVIFIJDZACVRF-OIISXLGYSA-N 0 3 355.446 0.573 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cn(C)nc2C(F)(F)F)C[C@@H]1n1ccnn1 ZINC001070284607 1219348734 /nfs/dbraw/zinc/34/87/34/1219348734.db2.gz LPFWLMIXROYIOT-NEPJUHHUSA-N 0 3 369.351 0.872 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1c(C)nn(C)c1C ZINC001227804055 1225886420 /nfs/dbraw/zinc/88/64/20/1225886420.db2.gz JKIAHYWRPKHJHT-IAGOWNOFSA-N 0 3 359.474 0.346 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccnc(-n3cncn3)c2)C[C@@H]1n1ccnn1 ZINC001070337730 1219385695 /nfs/dbraw/zinc/38/56/95/1219385695.db2.gz HUIQTOPJRXSVMQ-CABCVRRESA-N 0 3 365.401 0.095 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)n2cccn2)CC1 ZINC001070365052 1219397674 /nfs/dbraw/zinc/39/76/74/1219397674.db2.gz FIDNCNGUSNYHTP-SUMDDJOVSA-N 0 3 371.485 0.943 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CCCOC2)CC1 ZINC001070366264 1219398007 /nfs/dbraw/zinc/39/80/07/1219398007.db2.gz AAWULNJRHVLGTB-SCTDSRPQSA-N 0 3 361.486 0.912 20 30 FCEDHN C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cnc[n-]c2=O)CC1 ZINC001070374044 1219403306 /nfs/dbraw/zinc/40/33/06/1219403306.db2.gz PKQZNJDUWCFTDX-WBVHZDCISA-N 0 3 371.441 0.295 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2[nH]c(=O)[nH]c2C)CC1 ZINC001070374132 1219403633 /nfs/dbraw/zinc/40/36/33/1219403633.db2.gz UJZNTJRRADMUPK-CJNGLKHVSA-N 0 3 361.446 0.699 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CCN(C)C2=O)CC1 ZINC001070377083 1219404319 /nfs/dbraw/zinc/40/43/19/1219404319.db2.gz DQEDGXFEIUEDFT-UXLLHSPISA-N 0 3 362.474 0.126 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cc2nonc2C)CC1 ZINC001070381874 1219406972 /nfs/dbraw/zinc/40/69/72/1219406972.db2.gz ZVAHLACKOMEMFJ-KDOFPFPSSA-N 0 3 361.446 0.582 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cn2cc(C3CC3)nn2)C[C@H]1c1cn(C)cn1 ZINC001070499460 1219441185 /nfs/dbraw/zinc/44/11/85/1219441185.db2.gz UNOMZBJUNVWQJB-WMLDXEAASA-N 0 3 355.446 0.659 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)C(C)(C)n2cnc(C)c2)C[C@H]1c1cn(C)cn1 ZINC001070504096 1219443052 /nfs/dbraw/zinc/44/30/52/1219443052.db2.gz CDUKIGQNNMYGOH-DOTOQJQBSA-N 0 3 354.458 0.878 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@H]2CCc3cncn3C2)C[C@H]1c1cn(C)cn1 ZINC001070506482 1219444053 /nfs/dbraw/zinc/44/40/53/1219444053.db2.gz CRHANWYKWFVABR-QILLFSRXSA-N 0 3 352.442 0.396 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCn3c(C)ncc3C2)C[C@H]1c1cn(C)cn1 ZINC001070534891 1219457902 /nfs/dbraw/zinc/45/79/02/1219457902.db2.gz SPBYUDXFTHATJU-HHXXYDBFSA-N 0 3 366.469 0.705 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2CCc3nnc(C)n3C2)C[C@H]1c1cn(C)cn1 ZINC001070566552 1219472744 /nfs/dbraw/zinc/47/27/44/1219472744.db2.gz UXTDPZJNKPUMPA-HLLBOEOZSA-N 0 3 369.473 0.653 20 30 FCEDHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001228113880 1225895237 /nfs/dbraw/zinc/89/52/37/1225895237.db2.gz ZLEKYPNJMUBGER-ARFHVFGLSA-N 0 3 364.490 0.564 20 30 FCEDHN C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCO[C@H]2C2CC2)n1 ZINC001070588330 1219480210 /nfs/dbraw/zinc/48/02/10/1219480210.db2.gz WEQRJENQZYUAEB-FMKPAKJESA-N 0 3 359.430 0.243 20 30 FCEDHN C#CCN1CCOC[C@@H]1c1nc(CNC(=O)[C@@H]2CCO[C@H]2C2CC2)n[nH]1 ZINC001070588330 1219480211 /nfs/dbraw/zinc/48/02/11/1219480211.db2.gz WEQRJENQZYUAEB-FMKPAKJESA-N 0 3 359.430 0.243 20 30 FCEDHN C#CCN1CCOC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCO[C@H]2C2CC2)[nH]1 ZINC001070588330 1219480212 /nfs/dbraw/zinc/48/02/12/1219480212.db2.gz WEQRJENQZYUAEB-FMKPAKJESA-N 0 3 359.430 0.243 20 30 FCEDHN C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c(C)nc[n-]c1=O ZINC001228137344 1225897058 /nfs/dbraw/zinc/89/70/58/1225897058.db2.gz HVGIOOIWPTUOIM-BFHYXJOUSA-N 0 3 359.430 0.259 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H](C)Cn2ccc(C)n2)C[C@H]1c1cncn1C ZINC001070652530 1219508741 /nfs/dbraw/zinc/50/87/41/1219508741.db2.gz ZOSPLUFZZPLEPY-USXIJHARSA-N 0 3 354.458 0.779 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)Cn2cc(C3CC3)nn2)C[C@H]1c1cncn1C ZINC001070655694 1219510450 /nfs/dbraw/zinc/51/04/50/1219510450.db2.gz YUGPLZVWFCHJMO-GDBMZVCRSA-N 0 3 353.430 0.106 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)C[C@@H](C)c2cnn(C)c2)C[C@H]1c1cncn1C ZINC001070670517 1219517210 /nfs/dbraw/zinc/51/72/10/1219517210.db2.gz VZLDLEABIZIOEO-DJIMGWMZSA-N 0 3 354.458 0.865 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001228189042 1225899208 /nfs/dbraw/zinc/89/92/08/1225899208.db2.gz IMUBFORWPFNFDN-VXGBXAGGSA-N 0 3 370.413 0.044 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2COc3ccccc3O2)C[C@H]1c1cncn1C ZINC001070714735 1219539069 /nfs/dbraw/zinc/53/90/69/1219539069.db2.gz CVKGKOPPPKIJDF-CLCXKQKWSA-N 0 3 366.421 0.777 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2cccnc21 ZINC001228205738 1225900658 /nfs/dbraw/zinc/90/06/58/1225900658.db2.gz DMMLEYPPTUAMHR-GVDBMIGSSA-N 0 3 354.454 0.878 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(CCc2ccnn2C)CCCO1 ZINC001073774937 1219680380 /nfs/dbraw/zinc/68/03/80/1219680380.db2.gz MGRJZYQEMWUBKT-KURKYZTESA-N 0 3 362.474 0.761 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CCN(C(=O)CN(CC)CC)CC1 ZINC001074594953 1219698608 /nfs/dbraw/zinc/69/86/08/1219698608.db2.gz BTSRZBWPKVJZEL-CVEARBPZSA-N 0 3 367.490 0.389 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@H]2CCN(C)C2=O)CC1 ZINC001098461319 1219787340 /nfs/dbraw/zinc/78/73/40/1219787340.db2.gz WHLDECPTJFCTPZ-BDXSIMOUSA-N 0 3 358.486 0.284 20 30 FCEDHN C#CCCNCc1cn([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)nn1 ZINC001098682712 1219810792 /nfs/dbraw/zinc/81/07/92/1219810792.db2.gz DVMKVOQSIMKERO-BZUAXINKSA-N 0 3 353.430 0.691 20 30 FCEDHN N#Cc1cc(C(=O)N[C@]23CCC[C@H]2CN(CCN2C(=O)CCC2=O)C3)c[nH]1 ZINC001098794401 1219826235 /nfs/dbraw/zinc/82/62/35/1219826235.db2.gz NNZVGKYFUOPZFG-LIRRHRJNSA-N 0 3 369.425 0.620 20 30 FCEDHN N#Cc1cc(CN2CC[C@]3(CCN(C[C@@H]4CCC(=O)N4)C3=O)C2)ccn1 ZINC001277297313 1225920126 /nfs/dbraw/zinc/92/01/26/1225920126.db2.gz OOVCWDNXVRBBJA-KXBFYZLASA-N 0 3 353.426 0.656 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1CN(CCN1CCNC1=O)C2 ZINC001099035798 1219895040 /nfs/dbraw/zinc/89/50/40/1219895040.db2.gz LGBCFJNAFJGLRJ-RCJHGTSTSA-N 0 3 362.474 0.573 20 30 FCEDHN C=CCN1CC[C@H](N2C[C@@H]3CCC[C@]3(NC(=O)c3cnn(C)n3)C2)C1=O ZINC001099077726 1219903100 /nfs/dbraw/zinc/90/31/00/1219903100.db2.gz AWQHCPLLSRCAGD-YEWWUXTCSA-N 0 3 358.446 0.186 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(CC)cn1 ZINC001228680414 1225944373 /nfs/dbraw/zinc/94/43/73/1225944373.db2.gz DXMUXYBBFGKGLS-QZTJIDSGSA-N 0 3 356.470 0.953 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1nccc2[nH]ccc21 ZINC001228661409 1225941746 /nfs/dbraw/zinc/94/17/46/1225941746.db2.gz SDNDCCVWYBSPEB-HUUCEWRRSA-N 0 3 354.414 0.833 20 30 FCEDHN C#CCNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)c3cc(CC)[nH]n3)C[C@]2(C)C1 ZINC001101130417 1220193019 /nfs/dbraw/zinc/19/30/19/1220193019.db2.gz DAVILPYJCIBAMX-KSMMKXTCSA-N 0 3 357.458 0.504 20 30 FCEDHN CN(C)CCN1CC2(CN(Cc3cc(C#N)c(F)cc3F)C2)OCC1=O ZINC001277333520 1225957040 /nfs/dbraw/zinc/95/70/40/1225957040.db2.gz MNLMBYLELKRMMA-UHFFFAOYSA-N 0 3 364.396 0.811 20 30 FCEDHN COCC#CCN1C[C@@H]2CN(C(=O)[C@H]3CCCCN(C)C3=O)C[C@]2(C)C1 ZINC001101428307 1220338614 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C#CCCOc1ccc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)cc1 ZINC001214606765 1223925200 /nfs/dbraw/zinc/92/52/00/1223925200.db2.gz OYZWJFRHDMBNQW-CRAIPNDOSA-N 0 3 368.437 0.779 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(C2CC2)C2CC2)C1 ZINC001214604662 1223925326 /nfs/dbraw/zinc/92/53/26/1223925326.db2.gz JHJWHIMZPYFEAL-CKEIUWERSA-N 0 3 361.486 0.766 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccn3c(C)cnc3c2)C[C@H]1C ZINC001214632882 1223928028 /nfs/dbraw/zinc/92/80/28/1223928028.db2.gz TXWZPHGNNFJDIT-UKPHBRMFSA-N 0 3 367.453 0.831 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccncc2)C[C@H]1C ZINC001214655161 1223929714 /nfs/dbraw/zinc/92/97/14/1223929714.db2.gz BPRLXKDHLJSHNS-MYZZLAAOSA-N 0 3 372.469 0.898 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)C[C@@H](C)n2ccnc2CC)C[C@H]1C ZINC001214662068 1223929904 /nfs/dbraw/zinc/92/99/04/1223929904.db2.gz SISUBOHQICDSKP-BZUAXINKSA-N 0 3 359.474 0.583 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2c(C3CCC3)cnn2C)C[C@H]1C ZINC001214668014 1223930905 /nfs/dbraw/zinc/93/09/05/1223930905.db2.gz MWWISZOCXRHIHE-CKEIUWERSA-N 0 3 371.485 0.876 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccc3cccnc3n2)C[C@H]1C ZINC001214673665 1223931292 /nfs/dbraw/zinc/93/12/92/1223931292.db2.gz IMYZYHGATSUDSZ-JKIFEVAISA-N 0 3 365.437 0.818 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cn(-c3ccccc3)cn2)C[C@H]1C ZINC001214672565 1223931492 /nfs/dbraw/zinc/93/14/92/1223931492.db2.gz NTRBVAANAVZEJZ-NVXWUHKLSA-N 0 3 365.437 0.672 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2c3c(nn2C)CCCC3)C[C@H]1C ZINC001214725708 1223936428 /nfs/dbraw/zinc/93/64/28/1223936428.db2.gz VNFXCBOUJCMBBS-CZUORRHYSA-N 0 3 357.458 0.098 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCc2cnn(C)c2C)C[C@H]1C ZINC001214731602 1223936449 /nfs/dbraw/zinc/93/64/49/1223936449.db2.gz JXLKNXSEUFGLLI-CKEIUWERSA-N 0 3 361.490 0.788 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCc2cnn(C)c2C)C[C@H]1C ZINC001214732440 1223936992 /nfs/dbraw/zinc/93/69/92/1223936992.db2.gz WVSBIPVVDHOMEC-JKIFEVAISA-N 0 3 359.474 0.236 20 30 FCEDHN C[C@@H]1CN(C(=O)c2ccn(C3CCCC3)n2)C[C@H]1NCC(=O)NCC#N ZINC001214739094 1223937597 /nfs/dbraw/zinc/93/75/97/1223937597.db2.gz IUVKWODVAOUFAU-CZUORRHYSA-N 0 3 358.446 0.688 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccn(C(C)(C)C)n2)C[C@H]1C ZINC001214752562 1223938476 /nfs/dbraw/zinc/93/84/76/1223938476.db2.gz MUQVVNCUKVPQHV-IJEWVQPXSA-N 0 3 359.474 0.826 20 30 FCEDHN C[C@@H]1CN(C(=O)c2cccc3c2OCCO3)C[C@H]1NCC(=O)NCC#N ZINC001214777891 1223941681 /nfs/dbraw/zinc/94/16/81/1223941681.db2.gz QCDBORIVXSLUDS-TZMCWYRMSA-N 0 3 358.398 0.148 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2nn3c(c2C)OCCC3)C[C@H]1C ZINC001214794268 1223942795 /nfs/dbraw/zinc/94/27/95/1223942795.db2.gz CIZUZDVPLBRLAS-TZMCWYRMSA-N 0 3 361.446 0.326 20 30 FCEDHN COc1ccc2c(c1)CC[C@H]2C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1 ZINC001214794847 1223943225 /nfs/dbraw/zinc/94/32/25/1223943225.db2.gz PDDHGOJNXLKRPF-FSPWUOQZSA-N 0 3 370.453 0.801 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(NC(C)=O)cn2)C[C@H]1C ZINC001214807354 1223944487 /nfs/dbraw/zinc/94/44/87/1223944487.db2.gz SKZRSVFOPOHWHR-MLGOLLRUSA-N 0 3 359.430 0.392 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCCc2ncc(C)o2)C[C@H]1C ZINC001214822282 1223945633 /nfs/dbraw/zinc/94/56/33/1223945633.db2.gz YJOHYPAUAXWRRY-FVQBIDKESA-N 0 3 360.458 0.880 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2cc(C3CC3)no2)C[C@H]1C ZINC001214837550 1223946429 /nfs/dbraw/zinc/94/64/29/1223946429.db2.gz DXPAZBSZIBVZMP-PBFPGSCMSA-N 0 3 358.442 0.669 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cc(=O)[nH]c(C3CC3)c2)C[C@H]1C ZINC001214836045 1223946563 /nfs/dbraw/zinc/94/65/63/1223946563.db2.gz SMNQTGAVHVTTAC-IIYDPXPESA-N 0 3 370.453 0.853 20 30 FCEDHN C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCCCOC)C1 ZINC001214861251 1223949251 /nfs/dbraw/zinc/94/92/51/1223949251.db2.gz MXYDOHPWZJRQKF-HZPDHXFCSA-N 0 3 362.474 0.877 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)Cc2ccc3c(c2)NC(=O)C3)C[C@H]1C ZINC001214875045 1223950423 /nfs/dbraw/zinc/95/04/23/1223950423.db2.gz JHOYLTQEWBFQGP-CXAGYDPISA-N 0 3 370.453 0.462 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cnn3c2ccc(C)c3C)C[C@H]1C ZINC001214887015 1223952410 /nfs/dbraw/zinc/95/24/10/1223952410.db2.gz NYDCIHPOUSPOOY-RHSMWYFYSA-N 0 3 367.453 0.751 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)COCc2nccn2C)C[C@H]1C ZINC001214927808 1223955786 /nfs/dbraw/zinc/95/57/86/1223955786.db2.gz FVSMHVWVTJTQDK-QLFBSQMISA-N 0 3 363.462 0.064 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2onc(C)c2C)C[C@H]1C ZINC001214925763 1223955939 /nfs/dbraw/zinc/95/59/39/1223955939.db2.gz FWZAIEDQUYIYDH-ZWNOBZJWSA-N 0 3 363.418 0.353 20 30 FCEDHN Cc1nc2cc(C(=O)N3C[C@@H](C)[C@H](NCC(=O)NCC#N)C3)ccc2o1 ZINC001214929794 1223956562 /nfs/dbraw/zinc/95/65/62/1223956562.db2.gz RROIWXRJJVJFMQ-IAQYHMDHSA-N 0 3 355.398 0.826 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)COCc2cc(C)no2)C[C@H]1C ZINC001214946012 1223958168 /nfs/dbraw/zinc/95/81/68/1223958168.db2.gz HVKGVXSMEJDABW-XNRPHZJLSA-N 0 3 362.430 0.074 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)COCc2cc(C)on2)C[C@H]1C ZINC001214946096 1223958208 /nfs/dbraw/zinc/95/82/08/1223958208.db2.gz LZFCHQMWGFCJDT-IVMMDQJWSA-N 0 3 364.446 0.627 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)COC/C=C\c2ccccc2)C[C@H]1C ZINC001214948421 1223958453 /nfs/dbraw/zinc/95/84/53/1223958453.db2.gz OOYSVEFDPCVTMB-OSKOBQJQSA-N 0 3 369.465 0.902 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cn3cc(C)ccc3n2)C[C@H]1C ZINC001214956813 1223959447 /nfs/dbraw/zinc/95/94/47/1223959447.db2.gz HSSUGILUVKTRIW-HUUCEWRRSA-N 0 3 353.426 0.442 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2cn3ccccc3n2)C[C@H]1C ZINC001214976215 1223960919 /nfs/dbraw/zinc/96/09/19/1223960919.db2.gz LFEUUDIJJLDENA-BFYDXBDKSA-N 0 3 367.453 0.451 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C(C)(C)c2cccnc2)C[C@H]1C ZINC001215024706 1223964844 /nfs/dbraw/zinc/96/48/44/1223964844.db2.gz PARWQRJQOWUSLU-HLLBOEOZSA-N 0 3 356.470 0.934 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cc(CN(C)C)on2)C[C@H]1C ZINC001215023972 1223964906 /nfs/dbraw/zinc/96/49/06/1223964906.db2.gz CVSJHEQMPVAIBO-DVOMOZLQSA-N 0 3 363.462 0.477 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cncc3[nH]ccc32)C[C@H]1C ZINC001215062869 1223969332 /nfs/dbraw/zinc/96/93/32/1223969332.db2.gz MMTIJBLWEYBUGB-IIYDPXPESA-N 0 3 353.426 0.751 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cc(CC)[nH]c(=O)c2)C[C@H]1C ZINC001215160235 1223978763 /nfs/dbraw/zinc/97/87/63/1223978763.db2.gz HTJZDIWTVPKRPF-XJKCOSOUSA-N 0 3 358.442 0.538 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc3ccncc3n2)C[C@H]1C ZINC001215167309 1223979365 /nfs/dbraw/zinc/97/93/65/1223979365.db2.gz VXTPSEDBECPZJS-CXAGYDPISA-N 0 3 351.410 0.429 20 30 FCEDHN Cc1cc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)c2nccn2c1 ZINC001215207717 1223982511 /nfs/dbraw/zinc/98/25/11/1223982511.db2.gz NFIBONXMPZYXPZ-UKRRQHHQSA-N 0 3 354.414 0.333 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C2(C3CC3)CCOCC2)C[C@H]1C ZINC001215224109 1223983684 /nfs/dbraw/zinc/98/36/84/1223983684.db2.gz IRGBAHOGZUEMPC-BFYDXBDKSA-N 0 3 361.486 0.768 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccnc3ccncc32)C[C@H]1C ZINC001215230620 1223984329 /nfs/dbraw/zinc/98/43/29/1223984329.db2.gz OJSREMIIUBBMTC-CXAGYDPISA-N 0 3 351.410 0.429 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](OCC)C2CCOCC2)C[C@H]1C ZINC001215245052 1223985858 /nfs/dbraw/zinc/98/58/58/1223985858.db2.gz SUVRXFVEEVQUCC-QGPMSJSTSA-N 0 3 365.474 0.004 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H](OC)C2CCC2)C[C@H]1C ZINC001215249392 1223985874 /nfs/dbraw/zinc/98/58/74/1223985874.db2.gz PEVKULBUBLAKKM-XPKDYRNWSA-N 0 3 366.462 0.250 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(C)nc3onc(C)c32)C[C@H]1C ZINC001215256920 1223986388 /nfs/dbraw/zinc/98/63/88/1223986388.db2.gz CLTPUIVQKPHNKO-IAQYHMDHSA-N 0 3 369.425 0.639 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCNC(=O)C(C)(C)C)C[C@H]1C ZINC001215277292 1223988094 /nfs/dbraw/zinc/98/80/94/1223988094.db2.gz OJXKRGIALQREEY-RBSFLKMASA-N 0 3 366.506 0.666 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCNC(=O)C(C)(C)C)C[C@H]1C ZINC001215277525 1223988240 /nfs/dbraw/zinc/98/82/40/1223988240.db2.gz VDUGCCJSAAUETD-QLFBSQMISA-N 0 3 364.490 0.113 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(=O)NCC=C)C2)cc1 ZINC001215290311 1223989576 /nfs/dbraw/zinc/98/95/76/1223989576.db2.gz LDYXKCJULVMPLQ-RHSMWYFYSA-N 0 3 368.437 0.730 20 30 FCEDHN C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC001215301148 1223991238 /nfs/dbraw/zinc/99/12/38/1223991238.db2.gz KIIZNIAUACUHKD-RBSFLKMASA-N 0 3 366.506 0.618 20 30 FCEDHN C[C@@H]1CN(C(=O)C2CCN(CC(F)F)CC2)C[C@H]1NCC(=O)NCC#N ZINC001215401492 1223997041 /nfs/dbraw/zinc/99/70/41/1223997041.db2.gz PXFVJJDDNWZKKO-TZMCWYRMSA-N 0 3 371.432 0.040 20 30 FCEDHN C=CCCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC(=O)N2CCCC2)C1 ZINC001215427884 1223999045 /nfs/dbraw/zinc/99/90/45/1223999045.db2.gz NUJPDRJUOSOLBL-HZPDHXFCSA-N 0 3 364.490 0.518 20 30 FCEDHN C[C@@H]1CN(C(=O)CCOc2ccc(F)cc2)C[C@H]1NCC(=O)NCC#N ZINC001215447221 1224000072 /nfs/dbraw/zinc/00/00/72/1224000072.db2.gz ZSVDIEZGWSPJSM-CZUORRHYSA-N 0 3 362.405 0.671 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H](CC(C)C)OC)C[C@H]1C ZINC001215487945 1224001712 /nfs/dbraw/zinc/00/17/12/1224001712.db2.gz IBBFGASESQLEHS-RBSFLKMASA-N 0 3 368.478 0.496 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ccnc(-n3cccn3)c2)C[C@H]1C ZINC001215516508 1224003588 /nfs/dbraw/zinc/00/35/88/1224003588.db2.gz JYSQOFLRLQYSGP-GDBMZVCRSA-N 0 3 368.441 0.620 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccc3c(c2)CCO3)C[C@H]1C ZINC001215630881 1224010768 /nfs/dbraw/zinc/01/07/68/1224010768.db2.gz LVXKFOTXURYDCN-JKIFEVAISA-N 0 3 355.438 0.810 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ccc3c(c2)CCO3)C[C@H]1C ZINC001215630879 1224011114 /nfs/dbraw/zinc/01/11/14/1224011114.db2.gz LVXKFOTXURYDCN-CKEIUWERSA-N 0 3 355.438 0.810 20 30 FCEDHN C[C@@H]1CN(C(=O)c2cc(-c3ccco3)n[nH]2)C[C@H]1NCC(=O)NCC#N ZINC001215631601 1224011184 /nfs/dbraw/zinc/01/11/84/1224011184.db2.gz ZEIMLKUIKGYZGX-BXUZGUMPSA-N 0 3 356.386 0.360 20 30 FCEDHN C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC001215696950 1224013376 /nfs/dbraw/zinc/01/33/76/1224013376.db2.gz PLICIZRKUASQFJ-QLFBSQMISA-N 0 3 366.506 0.618 20 30 FCEDHN C[C@@H]1CN(C(=O)[C@@H]2Cc3cc(F)ccc3O2)C[C@H]1NCC(=O)NCC#N ZINC001215728686 1224014273 /nfs/dbraw/zinc/01/42/73/1224014273.db2.gz QLUPAWNFLJNLQL-XFJVYGCCSA-N 0 3 360.389 0.205 20 30 FCEDHN C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NCC(C)C)C2)nn1 ZINC001215832335 1224019613 /nfs/dbraw/zinc/01/96/13/1224019613.db2.gz GIILPOWKGWYHPR-QLFBSQMISA-N 0 3 362.478 0.675 20 30 FCEDHN C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)NCC(C)C)C2)nn1 ZINC001215832336 1224019691 /nfs/dbraw/zinc/01/96/91/1224019691.db2.gz GIILPOWKGWYHPR-RBSFLKMASA-N 0 3 362.478 0.675 20 30 FCEDHN C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N[C@@H](C)CCC)C2)nn1 ZINC001215833040 1224020386 /nfs/dbraw/zinc/02/03/86/1224020386.db2.gz VLZHFGLWCCZVEG-QLFBSQMISA-N 0 3 362.478 0.819 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)Cc2cn3cccc(C)c3n2)C[C@H]1C ZINC001215919995 1224024617 /nfs/dbraw/zinc/02/46/17/1224024617.db2.gz FDFSXRDJACDSCZ-NVXWUHKLSA-N 0 3 369.469 0.924 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)CNC(=O)CC2CCCC2)C[C@H]1C ZINC001215924792 1224024752 /nfs/dbraw/zinc/02/47/52/1224024752.db2.gz COITWIDHAYIYKC-GDBMZVCRSA-N 0 3 364.490 0.422 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C(C)(C)N2CCOCC2)C[C@H]1C ZINC001215934007 1224025281 /nfs/dbraw/zinc/02/52/81/1224025281.db2.gz BELCPCTYPUEXFB-OWCLPIDISA-N 0 3 366.506 0.224 20 30 FCEDHN CCN(CC)C(=O)CCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1 ZINC001215944276 1224026372 /nfs/dbraw/zinc/02/63/72/1224026372.db2.gz FGRRLACVYQKHGI-HUUCEWRRSA-N 0 3 365.478 0.101 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cnn3cc(OC)ccc23)C[C@H]1C ZINC001215953010 1224026655 /nfs/dbraw/zinc/02/66/55/1224026655.db2.gz PVJGKNVPOQTPCJ-CZUORRHYSA-N 0 3 371.441 0.695 20 30 FCEDHN C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1NCC#Cc1ccc(F)cc1 ZINC001216050584 1224031347 /nfs/dbraw/zinc/03/13/47/1224031347.db2.gz WGBHPBYGEJKZML-RHSMWYFYSA-N 0 3 356.405 0.691 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2ncccc2F)C[C@H]1C ZINC001216053500 1224031755 /nfs/dbraw/zinc/03/17/55/1224031755.db2.gz PSQRWABXKPDMRA-DGCLKSJQSA-N 0 3 363.393 0.283 20 30 FCEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1C ZINC001216108759 1224034160 /nfs/dbraw/zinc/03/41/60/1224034160.db2.gz FNVDLQVBOUQUMR-GDBMZVCRSA-N 0 3 362.474 0.150 20 30 FCEDHN C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)CCCn3cncn3)C[C@H]2C)C1=O ZINC001216238355 1224039816 /nfs/dbraw/zinc/03/98/16/1224039816.db2.gz KQCJSSJKXJBYEH-BZUAXINKSA-N 0 3 360.462 0.282 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ccc3nccn3c2)C[C@H]1C ZINC001216336082 1224045656 /nfs/dbraw/zinc/04/56/56/1224045656.db2.gz 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C=CCCCN1C[C@@H](NC(=O)CCc2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001129029692 1259292556 /nfs/dbraw/zinc/29/25/56/1259292556.db2.gz JTQGUODVOKWUHN-SJORKVTESA-N 0 3 357.462 0.952 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)CCc2ccn(C)n2)[C@@H](n2ccnn2)C1 ZINC001129030392 1259294652 /nfs/dbraw/zinc/29/46/52/1259294652.db2.gz YYOPEZJNEALYAI-SJORKVTESA-N 0 3 357.462 0.952 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)CCn2ccccc2=O)[C@@H](n2ccnn2)C1 ZINC001129032311 1259294926 /nfs/dbraw/zinc/29/49/26/1259294926.db2.gz NDDFGWRSFOLSQB-SJORKVTESA-N 0 3 370.457 0.838 20 30 FCEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2c[nH]c(=O)n2C)[C@@H](n2ccnn2)C1 ZINC001129154150 1259332940 /nfs/dbraw/zinc/33/29/40/1259332940.db2.gz LVLDDHXVZZZXEB-NFAWXSAZSA-N 0 3 359.434 0.727 20 30 FCEDHN C=CCCCCCN1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](n2ccnn2)C1 ZINC001129200522 1259343668 /nfs/dbraw/zinc/34/36/68/1259343668.db2.gz ZCIOAFNKRATODC-CVEARBPZSA-N 0 3 371.445 0.763 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2[nH]cnc2C)[n-]1 ZINC001130249358 1259375221 /nfs/dbraw/zinc/37/52/21/1259375221.db2.gz ZLXVOPPWHNOPQP-ZFWWWQNUSA-N 0 3 371.445 0.181 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1c1ccccc1 ZINC001211680112 1259428072 /nfs/dbraw/zinc/42/80/72/1259428072.db2.gz HEDMKKBHRAGUON-ZWKOTPCHSA-N 0 3 367.453 0.839 20 30 FCEDHN CN(C)C(=O)CN1CCO[C@@H]2C[N@H+](Cc3ccc(C#N)cc3[O-])CC[C@@H]2C1 ZINC001233384595 1259550278 /nfs/dbraw/zinc/55/02/78/1259550278.db2.gz AOZCFAHWRVOOGZ-IEBWSBKVSA-N 0 3 372.469 0.875 20 30 FCEDHN CN(C)C(=O)CN1CCO[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3[O-])CC[C@@H]2C1 ZINC001233384595 1259550282 /nfs/dbraw/zinc/55/02/82/1259550282.db2.gz AOZCFAHWRVOOGZ-IEBWSBKVSA-N 0 3 372.469 0.875 20 30 FCEDHN COC(=O)[C@@H]1CNCCN1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001246861468 1259693459 /nfs/dbraw/zinc/69/34/59/1259693459.db2.gz BABJOPLVFCMSAN-KRWDZBQOSA-N 0 3 356.426 0.610 20 30 FCEDHN C#CCOC[C@H](O)CN1CCN2C[C@H](OCc3cccc(C)n3)C[C@H]2C1 ZINC001251839419 1259762382 /nfs/dbraw/zinc/76/23/82/1259762382.db2.gz GDDXZJBYPJHJIN-XUVXKRRUSA-N 0 3 359.470 0.676 20 30 FCEDHN C=CCOC[C@@H](O)CN1CCc2cc(C(=O)OC)c(N(C)C)nc2CC1 ZINC001252462317 1259791042 /nfs/dbraw/zinc/79/10/42/1259791042.db2.gz FKENWFGJCCSZSB-HNNXBMFYSA-N 0 3 363.458 0.898 20 30 FCEDHN C=C[C@@H](O)CNCC(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001253615602 1259845465 /nfs/dbraw/zinc/84/54/65/1259845465.db2.gz LFLHCBTYLLUKIS-GXTWGEPZSA-N 0 3 373.409 0.681 20 30 FCEDHN C=C[C@@H](O)CNCC(=O)NCC(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001253616353 1259846503 /nfs/dbraw/zinc/84/65/03/1259846503.db2.gz SNFVLMGPFVXHHP-CYBMUJFWSA-N 0 3 359.382 0.293 20 30 FCEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001261131186 1260080689 /nfs/dbraw/zinc/08/06/89/1260080689.db2.gz BGJFIDOCEAXJEH-CABCVRRESA-N 0 3 358.442 0.876 20 30 FCEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001261131186 1260080695 /nfs/dbraw/zinc/08/06/95/1260080695.db2.gz BGJFIDOCEAXJEH-CABCVRRESA-N 0 3 358.442 0.876 20 30 FCEDHN N#C[C@@H]1CN(C(=O)C(=O)N2CCCN(C3CCCC3)CC2)CCN1C1CC1 ZINC001261849510 1260197744 /nfs/dbraw/zinc/19/77/44/1260197744.db2.gz IXWKUEQAQVVDBL-GOSISDBHSA-N 0 3 373.501 0.662 20 30 FCEDHN CN(C)CCN1C(=O)COCC12CN(C(=O)Cc1ccccc1C#N)C2 ZINC001272671972 1260475825 /nfs/dbraw/zinc/47/58/25/1260475825.db2.gz HIKURUXSENUPFF-UHFFFAOYSA-N 0 3 356.426 0.102 20 30 FCEDHN N#CC1(C(=O)N2CCO[C@H]3CN(CC4CCOCC4)C[C@@H]32)CCOCC1 ZINC001278464185 1260694485 /nfs/dbraw/zinc/69/44/85/1260694485.db2.gz IXZDRCYVGFHMGC-IRXDYDNUSA-N 0 3 363.458 0.645 20 30 FCEDHN C=CCn1cc(CN2C[C@@H]3CC[C@H](C2)[C@H]3C(=O)NCC(=O)N(C)C)cn1 ZINC001279768337 1260932138 /nfs/dbraw/zinc/93/21/38/1260932138.db2.gz ISCYNPFWEWCLJJ-ALXJQNPVSA-N 0 3 359.474 0.732 20 30 FCEDHN N#CC1(NC(=O)[C@@H]2COCCC23CN(CCN2CCOCC2)C3)CCC1 ZINC001279770266 1260932514 /nfs/dbraw/zinc/93/25/14/1260932514.db2.gz AFAPPTVGESGQRZ-INIZCTEOSA-N 0 3 362.474 0.220 20 30 FCEDHN C=CCCCN1CCn2c(nnc2C(=O)NCCn2ccnn2)C[C@H]1C ZINC001280120094 1261008717 /nfs/dbraw/zinc/00/87/17/1261008717.db2.gz FVGMYZVZHMLCMI-CQSZACIVSA-N 0 3 358.450 0.512 20 30 FCEDHN Cn1cc(CNC(=O)NC[C@@]2(O)CCN(C)C2)c(-c2ccc(C#N)cc2)n1 ZINC001312482471 1263279708 /nfs/dbraw/zinc/27/97/08/1263279708.db2.gz VXPFUPDELSFJGR-IBGZPJMESA-N 0 3 368.441 0.825 20 30 FCEDHN N#CCCNC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC001320923059 1263882007 /nfs/dbraw/zinc/88/20/07/1263882007.db2.gz QRTAHXBFWFDOHB-UHFFFAOYSA-N 0 3 357.414 0.352 20 30 FCEDHN C#CCN(C(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1)C1CCCCC1 ZINC001321661112 1264026064 /nfs/dbraw/zinc/02/60/64/1264026064.db2.gz BWWHAWVRAFIFQI-QGZVFWFLSA-N 0 3 362.518 0.781 20 30 FCEDHN CN1CCN(CCCCNC(=O)C(=O)NCc2ccc(C#N)cc2)CC1 ZINC001325569466 1264931574 /nfs/dbraw/zinc/93/15/74/1264931574.db2.gz RDQWMDFZDLATOL-UHFFFAOYSA-N 0 3 357.458 0.318 20 30 FCEDHN C=CCOCc1[nH]c(=O)n(-c2ccc(Cc3[nH]c(O)nc3O)cc2)c1O ZINC001326167921 1265074087 /nfs/dbraw/zinc/07/40/87/1265074087.db2.gz IBYCIJHTGPSVEH-STQMWFEESA-N 0 3 358.354 0.065 20 30 FCEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@](O)(CC#N)C1)C(C)C ZINC001326389551 1265103146 /nfs/dbraw/zinc/10/31/46/1265103146.db2.gz XFWCLFBDMANGLD-VQIMIIECSA-N 0 3 362.474 0.678 20 30 FCEDHN C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 ZINC001327197728 1265250502 /nfs/dbraw/zinc/25/05/02/1265250502.db2.gz SVUABUOCVCQQKH-RHSMWYFYSA-N 0 3 371.441 0.474 20 30 FCEDHN C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 ZINC001327197726 1265250658 /nfs/dbraw/zinc/25/06/58/1265250658.db2.gz SVUABUOCVCQQKH-PBHICJAKSA-N 0 3 371.441 0.474 20 30 FCEDHN C[C@H]1CN[C@@H](C)[C@H](C)N1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC001522822842 1266585369 /nfs/dbraw/zinc/58/53/69/1266585369.db2.gz AYWGUECGFXQOOD-SRVKXCTJSA-N 0 3 350.444 0.322 20 30 FCEDHN COCCNC(=O)C(C#N)C(=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC001523895744 1266665484 /nfs/dbraw/zinc/66/54/84/1266665484.db2.gz SAFMPTMGISIVGO-STQMWFEESA-N 0 3 350.396 0.419 20 30 FCEDHN C=CCn1c([C@H]2CC=NO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001338920516 1268121126 /nfs/dbraw/zinc/12/11/26/1268121126.db2.gz GCAMZOJBZZABJT-HUUCEWRRSA-N 0 3 373.461 0.654 20 30 FCEDHN Cn1c(-c2cncc(C#N)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001339116643 1268170435 /nfs/dbraw/zinc/17/04/35/1268170435.db2.gz SCRBPBQHKPPSTL-CQSZACIVSA-N 0 3 353.430 0.907 20 30 FCEDHN C=CCn1c(Cn2cnc(C#N)n2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001339219546 1268188144 /nfs/dbraw/zinc/18/81/44/1268188144.db2.gz MTCSAQVJQVSAMW-UHFFFAOYSA-N 0 3 355.450 0.896 20 30 FCEDHN CCN1CCN([C@@H](C)CNC(=O)CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001339395937 1268228757 /nfs/dbraw/zinc/22/87/57/1268228757.db2.gz HKFOCWYEKNZRMO-YWMAMYRUSA-N 0 3 363.462 0.045 20 30 FCEDHN C#CCN1CCC[C@H]1c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1C ZINC001339600995 1268279095 /nfs/dbraw/zinc/27/90/95/1268279095.db2.gz ZBCWFMJXDJIJOE-SJORKVTESA-N 0 3 358.490 0.744 20 30 FCEDHN C=CCn1c(C2CCN(CCO)CC2)nnc1N(C)CCn1cccn1 ZINC001340414295 1268539044 /nfs/dbraw/zinc/53/90/44/1268539044.db2.gz HJNZJNOZCQGPTQ-UHFFFAOYSA-N 0 3 359.478 0.969 20 30 FCEDHN C=CCn1c(-c2cn(CCO)nn2)nnc1N1CCN(CC2CC2)CC1 ZINC001340782854 1268654747 /nfs/dbraw/zinc/65/47/47/1268654747.db2.gz HVHNJWRDVBMBGJ-UHFFFAOYSA-N 0 3 358.450 0.247 20 30 FCEDHN C#CCn1ccc(CN(CC)C(=O)C(=O)N[C@H](CC)CN2CCCC2)n1 ZINC001342176350 1269382228 /nfs/dbraw/zinc/38/22/28/1269382228.db2.gz RYUHGWBZZDECMT-MRXNPFEDSA-N 0 3 359.474 0.855 20 30 FCEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)nnn1C ZINC001343346394 1269869648 /nfs/dbraw/zinc/86/96/48/1269869648.db2.gz BTDHBBCYYRRPTQ-CYBMUJFWSA-N 0 3 354.370 0.787 20 30 FCEDHN N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001343473180 1269918287 /nfs/dbraw/zinc/91/82/87/1269918287.db2.gz LNRCLNWCPMIFGF-FHWLQOOXSA-N 0 3 354.454 0.803 20 30 FCEDHN C#CCCCCn1c(C2CC2)nnc1N1C[C@@H]2[C@@H](N)CS(=O)(=O)[C@H]2C1 ZINC001574545600 1271332727 /nfs/dbraw/zinc/33/27/27/1271332727.db2.gz SUKFULCYVHSGMW-ILXRZTDVSA-N 0 3 363.487 0.520 20 30 FCEDHN C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CC1(N)COC1 ZINC001574631676 1271429454 /nfs/dbraw/zinc/42/94/54/1271429454.db2.gz CEMNWFXGBHBXDH-UHFFFAOYSA-N 0 3 372.473 0.387 20 30 FCEDHN C#CCN(C(=O)[C@H]1CCOC[C@H]1C)C1CCN(CCc2cn[nH]n2)CC1 ZINC001574895647 1271656478 /nfs/dbraw/zinc/65/64/78/1271656478.db2.gz XLCPIBRIWRWRON-QAPCUYQASA-N 0 3 359.474 0.946 20 30 FCEDHN C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H]3CC[NH2+]C[C@H]32)ccc1F ZINC001574942738 1271683060 /nfs/dbraw/zinc/68/30/60/1271683060.db2.gz FETKCINQSXMMDY-TZMCWYRMSA-N 0 3 353.419 0.724 20 30 FCEDHN CC#CCCCC(=O)N1CC[C@H](N(C)[C@H](C)C(=O)NCc2c[nH]nn2)C1 ZINC001575117593 1271732997 /nfs/dbraw/zinc/73/29/97/1271732997.db2.gz OZUGJKYDLBOTBL-ZBFHGGJFSA-N 0 3 360.462 0.536 20 30 FCEDHN CC(C)(C)OC(=O)NC1CCN(CC(=O)N[C@H]2CNC[C@@H]2C#N)CC1 ZINC001575215940 1271795031 /nfs/dbraw/zinc/79/50/31/1271795031.db2.gz MRWHVKHNGVNENF-JSGCOSHPSA-N 0 3 351.451 0.203 20 30 FCEDHN C[C@H](C(=O)NCc1c[nH]nn1)N1CC[C@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001575221125 1271805811 /nfs/dbraw/zinc/80/58/11/1271805811.db2.gz SFROLFPKJVMLQX-ZIAGYGMSSA-N 0 3 360.462 0.297 20 30 FCEDHN COCC#CCN(C)C[C@@H](C)NC(=O)C1CCN(Cc2cn[nH]n2)CC1 ZINC001576953134 1273972830 /nfs/dbraw/zinc/97/28/30/1273972830.db2.gz MKSKIGWWUSXYGP-OAHLLOKOSA-N 0 3 362.478 0.103 20 30 FCEDHN N#Cc1cc(C(=O)N2CCC3(CO[C@H](CNCc4cn[nH]n4)C3)CC2)c[nH]1 ZINC001577712270 1274772939 /nfs/dbraw/zinc/77/29/39/1274772939.db2.gz HIGBJDNHEQRZOI-INIZCTEOSA-N 0 3 369.429 0.806 20 30 FCEDHN N#Cc1cc(C(=O)N2CCC3(CO[C@H](CNCc4c[nH]nn4)C3)CC2)c[nH]1 ZINC001577712270 1274772950 /nfs/dbraw/zinc/77/29/50/1274772950.db2.gz HIGBJDNHEQRZOI-INIZCTEOSA-N 0 3 369.429 0.806 20 30 FCEDHN C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001580276743 1278073393 /nfs/dbraw/zinc/07/33/93/1278073393.db2.gz LHZCZQKOHXGLDI-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)c1ccc(C#N)[nH]1 ZINC001580280037 1278079901 /nfs/dbraw/zinc/07/99/01/1278079901.db2.gz RSNYIMDIBLVIHG-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)c1ccc(C#N)[nH]1 ZINC001580280037 1278079913 /nfs/dbraw/zinc/07/99/13/1278079913.db2.gz RSNYIMDIBLVIHG-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN C#CCN(C(=O)NCc1ccc(-c2nnn[n-]2)cn1)C1CC[NH+](C)CC1 ZINC001588348295 1282441759 /nfs/dbraw/zinc/44/17/59/1282441759.db2.gz PBFAPGWTPSRHIW-UHFFFAOYSA-N 0 3 354.418 0.501 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001588351507 1282445727 /nfs/dbraw/zinc/44/57/27/1282445727.db2.gz XJOUCNNMJKDRIO-KRWDZBQOSA-N 0 3 367.457 0.560 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)NCCN(CC)c1ccncc1-c1nn[nH]n1 ZINC001588351331 1282447985 /nfs/dbraw/zinc/44/79/85/1282447985.db2.gz OQGWDCLTYKZNBN-INIZCTEOSA-N 0 3 368.445 0.302 20 30 FCEDHN C#CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)CC2 ZINC001588353693 1282449744 /nfs/dbraw/zinc/44/97/44/1282449744.db2.gz BUNVUORWIPTGPT-CYBMUJFWSA-N 0 3 369.429 0.429 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588354953 1282451020 /nfs/dbraw/zinc/45/10/20/1282451020.db2.gz CJAIPMITTWRNOA-RHSMWYFYSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588354953 1282451022 /nfs/dbraw/zinc/45/10/22/1282451022.db2.gz CJAIPMITTWRNOA-RHSMWYFYSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588355176 1282453168 /nfs/dbraw/zinc/45/31/68/1282453168.db2.gz FWHIJXKUJUZLDZ-UONOGXRCSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001588355176 1282453173 /nfs/dbraw/zinc/45/31/73/1282453173.db2.gz FWHIJXKUJUZLDZ-UONOGXRCSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588355508 1282454992 /nfs/dbraw/zinc/45/49/92/1282454992.db2.gz JAMLSWCOVOTZPC-BBRMVZONSA-N 0 3 354.414 0.596 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588355501 1282455863 /nfs/dbraw/zinc/45/58/63/1282455863.db2.gz IYYPGJNCEQAARG-JKIFEVAISA-N 0 3 368.441 0.842 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588355501 1282455868 /nfs/dbraw/zinc/45/58/68/1282455868.db2.gz IYYPGJNCEQAARG-JKIFEVAISA-N 0 3 368.441 0.842 20 30 FCEDHN C=C[C@](C)(O)CC(=O)NC[C@H](C)NCc1cc(-c2nn[nH]n2)ccc1OC ZINC001588500854 1282533443 /nfs/dbraw/zinc/53/34/43/1282533443.db2.gz FNXDZIJRTKEIGD-SGTLLEGYSA-N 0 3 374.445 0.797 20 30 FCEDHN C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001588577005 1282574215 /nfs/dbraw/zinc/57/42/15/1282574215.db2.gz AEQCHODGKZCSNG-CHWSQXEVSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001588577005 1282574223 /nfs/dbraw/zinc/57/42/23/1282574223.db2.gz AEQCHODGKZCSNG-CHWSQXEVSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCC[N@@H+](CCO)C1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001588603187 1282582483 /nfs/dbraw/zinc/58/24/83/1282582483.db2.gz GRJVQNIYMWICJZ-UHFFFAOYSA-N 0 3 359.434 0.670 20 30 FCEDHN C=CCC[N@H+](CCO)C1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001588603187 1282582493 /nfs/dbraw/zinc/58/24/93/1282582493.db2.gz GRJVQNIYMWICJZ-UHFFFAOYSA-N 0 3 359.434 0.670 20 30 FCEDHN C=CCC[N@@H+](CCO)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001588603187 1282582502 /nfs/dbraw/zinc/58/25/02/1282582502.db2.gz GRJVQNIYMWICJZ-UHFFFAOYSA-N 0 3 359.434 0.670 20 30 FCEDHN C=CCC[N@H+](CCO)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001588603187 1282582513 /nfs/dbraw/zinc/58/25/13/1282582513.db2.gz GRJVQNIYMWICJZ-UHFFFAOYSA-N 0 3 359.434 0.670 20 30 FCEDHN C=CCN1CC[C@@H]([NH2+][C@@H](C)CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1=O ZINC001588657615 1282608255 /nfs/dbraw/zinc/60/82/55/1282608255.db2.gz RHNATYBZAKZCFB-WCQYABFASA-N 0 3 372.433 0.080 20 30 FCEDHN C=CCN1CC[C@@H]([NH2+][C@@H](C)CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1=O ZINC001588657615 1282608272 /nfs/dbraw/zinc/60/82/72/1282608272.db2.gz RHNATYBZAKZCFB-WCQYABFASA-N 0 3 372.433 0.080 20 30 FCEDHN C=CCN1CC[C@@H]([NH2+][C@H](C)CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1=O ZINC001588657614 1282609167 /nfs/dbraw/zinc/60/91/67/1282609167.db2.gz RHNATYBZAKZCFB-DGCLKSJQSA-N 0 3 372.433 0.080 20 30 FCEDHN C=CCN1CC[C@@H]([NH2+][C@H](C)CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1=O ZINC001588657614 1282609177 /nfs/dbraw/zinc/60/91/77/1282609177.db2.gz RHNATYBZAKZCFB-DGCLKSJQSA-N 0 3 372.433 0.080 20 30 FCEDHN C=CCOCC[NH2+]C[C@@]1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588682499 1282639392 /nfs/dbraw/zinc/63/93/92/1282639392.db2.gz GGHOELKBAOAYNN-QGZVFWFLSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[NH2+]C[C@@]1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588682499 1282639406 /nfs/dbraw/zinc/63/94/06/1282639406.db2.gz GGHOELKBAOAYNN-QGZVFWFLSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588682125 1282642501 /nfs/dbraw/zinc/64/25/01/1282642501.db2.gz BSPNOSQWDDWQFP-QWHCGFSZSA-N 0 3 359.434 0.838 20 30 FCEDHN C=CCOCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588682125 1282642513 /nfs/dbraw/zinc/64/25/13/1282642513.db2.gz BSPNOSQWDDWQFP-QWHCGFSZSA-N 0 3 359.434 0.838 20 30 FCEDHN C=CCOCC[NH2+]C[C@@]1(C)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001588682943 1282645340 /nfs/dbraw/zinc/64/53/40/1282645340.db2.gz LTCOIKRQECXSLW-QGZVFWFLSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[NH2+]C[C@@]1(C)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001588682943 1282645350 /nfs/dbraw/zinc/64/53/50/1282645350.db2.gz LTCOIKRQECXSLW-QGZVFWFLSA-N 0 3 359.434 0.839 20 30 FCEDHN CC(C)C#CC(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001589379759 1282853672 /nfs/dbraw/zinc/85/36/72/1282853672.db2.gz ABJCRXDPNRTUGI-MRXNPFEDSA-N 0 3 356.430 0.435 20 30 FCEDHN CC(C)C#CC(=O)N(C)C[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001589379759 1282853681 /nfs/dbraw/zinc/85/36/81/1282853681.db2.gz ABJCRXDPNRTUGI-MRXNPFEDSA-N 0 3 356.430 0.435 20 30 FCEDHN COCC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001591360533 1284496460 /nfs/dbraw/zinc/49/64/60/1284496460.db2.gz FEUWITMUEOGGGL-OCCSQVGLSA-N 0 3 357.418 0.333 20 30 FCEDHN COCC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001591360533 1284496464 /nfs/dbraw/zinc/49/64/64/1284496464.db2.gz FEUWITMUEOGGGL-OCCSQVGLSA-N 0 3 357.418 0.333 20 30 FCEDHN COCC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001591360267 1284496474 /nfs/dbraw/zinc/49/64/74/1284496474.db2.gz BUEDFSSVWQRHEG-UONOGXRCSA-N 0 3 371.445 0.675 20 30 FCEDHN COCC#CC[NH2+][C@@H](CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001591361843 1284497195 /nfs/dbraw/zinc/49/71/95/1284497195.db2.gz PEKPORWUBICNIO-AWEZNQCLSA-N 0 3 373.461 0.921 20 30 FCEDHN COCC#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001591361452 1284497421 /nfs/dbraw/zinc/49/74/21/1284497421.db2.gz MRTJELDNYAIQFI-CJNGLKHVSA-N 0 3 371.445 0.675 20 30 FCEDHN C#CCC[NH+]1CCC(CCOC)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001602712059 1287071874 /nfs/dbraw/zinc/07/18/74/1287071874.db2.gz COVNOAGOVHZENM-UHFFFAOYSA-N 0 3 371.445 0.819 20 30 FCEDHN C#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001602717955 1287074000 /nfs/dbraw/zinc/07/40/00/1287074000.db2.gz KDNZDHVSVNBZDJ-AEIGPULVSA-N 0 3 351.414 0.610 20 30 FCEDHN C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001602717955 1287074007 /nfs/dbraw/zinc/07/40/07/1287074007.db2.gz KDNZDHVSVNBZDJ-AEIGPULVSA-N 0 3 351.414 0.610 20 30 FCEDHN C#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001602717955 1287074020 /nfs/dbraw/zinc/07/40/20/1287074020.db2.gz KDNZDHVSVNBZDJ-AEIGPULVSA-N 0 3 351.414 0.610 20 30 FCEDHN C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001602717955 1287074026 /nfs/dbraw/zinc/07/40/26/1287074026.db2.gz KDNZDHVSVNBZDJ-AEIGPULVSA-N 0 3 351.414 0.610 20 30 FCEDHN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-c3nnn[n-]3)c(C)n2)c1C#N ZINC001604892093 1287808617 /nfs/dbraw/zinc/80/86/17/1287808617.db2.gz FSIDEKRRXTXXFY-UHFFFAOYSA-N 0 3 366.389 0.569 20 30 FCEDHN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-c3nn[n-]n3)c(C)n2)c1C#N ZINC001604892093 1287808618 /nfs/dbraw/zinc/80/86/18/1287808618.db2.gz FSIDEKRRXTXXFY-UHFFFAOYSA-N 0 3 366.389 0.569 20 30 FCEDHN COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001605036124 1287844644 /nfs/dbraw/zinc/84/46/44/1287844644.db2.gz BTCVIZATDTYXBI-GXTWGEPZSA-N 0 3 357.418 0.333 20 30 FCEDHN COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001605036124 1287844649 /nfs/dbraw/zinc/84/46/49/1287844649.db2.gz BTCVIZATDTYXBI-GXTWGEPZSA-N 0 3 357.418 0.333 20 30 FCEDHN N#CCN1CCC([NH2+]C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001606350236 1288266456 /nfs/dbraw/zinc/26/64/56/1288266456.db2.gz SJSVIYYETSMTQX-OAHLLOKOSA-N 0 3 357.418 0.184 20 30 FCEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC001609055792 1288890701 /nfs/dbraw/zinc/89/07/01/1288890701.db2.gz VVULHYBHAMERBY-OAHLLOKOSA-N 0 3 369.429 0.235 20 30 FCEDHN COCC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCCCN(C)C3=O)C[C@@H]2C1 ZINC001692082477 1289388203 /nfs/dbraw/zinc/38/82/03/1289388203.db2.gz BDSGDKARTKJXHD-SQNIBIBYSA-N 0 3 361.486 0.675 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)Cn2cc(C3CC3)nn2)C[C@H]1c1cnn(C)c1 ZINC001689031880 1294577350 /nfs/dbraw/zinc/57/73/50/1294577350.db2.gz FMLICERLBXROBA-FUHWJXTLSA-N 0 3 367.457 0.497 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C[C@H]1OCC ZINC001689074547 1294595294 /nfs/dbraw/zinc/59/52/94/1294595294.db2.gz HKZDXWBFBJPSJD-CZUORRHYSA-N 0 3 355.394 0.270 20 30 FCEDHN C=CCN1CC[C@H](NC[C@@H]2C[C@H](C)CCN2C(=O)CN(C)C(C)=O)C1=O ZINC001689081223 1294600336 /nfs/dbraw/zinc/60/03/36/1294600336.db2.gz VUWIUXGELDAKCX-PVAVHDDUSA-N 0 3 364.490 0.468 20 30 FCEDHN C=CCNC(=O)[C@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)CN1CCOCC1 ZINC001689085993 1294604426 /nfs/dbraw/zinc/60/44/26/1294604426.db2.gz DTXYWFMLIQPGSL-IKGGRYGDSA-N 0 3 366.506 0.226 20 30 FCEDHN C[C@@H]1CCN(C(=O)c2cnn(CCF)c2)[C@H](CNCC(=O)NCC#N)C1 ZINC001689093128 1294611663 /nfs/dbraw/zinc/61/16/63/1294611663.db2.gz QPTUERUUHOHBLH-HIFRSBDPSA-N 0 3 364.425 0.323 20 30 FCEDHN CCS(=O)(=O)NCCCN1CC[C@@H]2CN(C(=O)C#CC(C)C)C[C@@H]2C1 ZINC001689219472 1294674313 /nfs/dbraw/zinc/67/43/13/1294674313.db2.gz HBLZCBKVZDNSEJ-SJORKVTESA-N 0 3 369.531 0.756 20 30 FCEDHN C#CCNC(=O)[C@@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)c1cnnc(C)c1 ZINC001691804305 1294926297 /nfs/dbraw/zinc/92/62/97/1294926297.db2.gz UBJMNECCCLNFDE-UNEWFSDZSA-N 0 3 357.458 0.753 20 30 FCEDHN C[C@@H]1CCN(C(=O)c2csc(=O)[nH]2)[C@H](CNCC(=O)NCC#N)C1 ZINC001691834859 1294932266 /nfs/dbraw/zinc/93/22/66/1294932266.db2.gz VJTYEZANIQWEEK-MNOVXSKESA-N 0 3 351.432 0.319 20 30 FCEDHN C#CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1cnn(CC2CC2)c1 ZINC001691850911 1294941839 /nfs/dbraw/zinc/94/18/39/1294941839.db2.gz FDCSMQOCYDXXCX-QAPCUYQASA-N 0 3 371.485 0.873 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2CCCS(=O)(=O)C2)C[C@H]1c1cn(C)cn1 ZINC001070541971 837657731 /nfs/dbraw/zinc/65/77/31/837657731.db2.gz LYLKXQKRNUOSGL-OFQRWUPVSA-N 0 3 366.487 0.315 20 30 FCEDHN C=C(Cl)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001071082154 837727900 /nfs/dbraw/zinc/72/79/00/837727900.db2.gz LWVWVDVNLHMNFC-RDBSUJKOSA-N 0 3 356.854 0.406 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2CCc3nnnn3CC2)C[C@H]1C(F)(F)F ZINC001099311195 844017176 /nfs/dbraw/zinc/01/71/76/844017176.db2.gz PKGPBIIPWPBJJB-IJLUTSLNSA-N 0 3 358.368 0.791 20 30 FCEDHN C=CCN1CCC(NC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000749982920 836398408 /nfs/dbraw/zinc/39/84/08/836398408.db2.gz LJJGWNSNCBCMDT-HNNXBMFYSA-N 0 3 350.444 0.483 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC[C@H]1CNC(=O)CN(C)CCC ZINC001061739503 836712810 /nfs/dbraw/zinc/71/28/10/836712810.db2.gz AZAYFWPNMKKERW-OAGGEKHMSA-N 0 3 353.463 0.263 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1COCCN1C(=O)CN(C)C(C)C ZINC001061912011 836722575 /nfs/dbraw/zinc/72/25/75/836722575.db2.gz MVICYFFSEHGQKC-OAGGEKHMSA-N 0 3 353.463 0.261 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1COCCN1C(=O)CN(CC)CC ZINC001061912537 836723448 /nfs/dbraw/zinc/72/34/48/836723448.db2.gz ZSLAQHVEXYMYFX-OAGGEKHMSA-N 0 3 353.463 0.263 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001065257429 836825665 /nfs/dbraw/zinc/82/56/65/836825665.db2.gz UJGBRWFPDXTEJF-XHSDSOJGSA-N 0 3 353.463 0.261 20 30 FCEDHN C=CCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)CNC(=O)CCC)[C@H](C)C1 ZINC001101780504 844261769 /nfs/dbraw/zinc/26/17/69/844261769.db2.gz GJRKMTWHDFSRDR-QLFBSQMISA-N 0 3 352.479 0.278 20 30 FCEDHN C[C@@H](CN1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)[C@H](C)C1)CS(C)(=O)=O ZINC001101850729 844295063 /nfs/dbraw/zinc/29/50/63/844295063.db2.gz OLULNSWFKJJFJL-GZBFAFLISA-N 0 3 366.487 0.865 20 30 FCEDHN COCCCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)C#CC(C)C)[C@H](C)C1 ZINC001101948848 844343582 /nfs/dbraw/zinc/34/35/82/844343582.db2.gz IOVKWSFMYMDGHT-IXDOHACOSA-N 0 3 351.491 0.871 20 30 FCEDHN C#CCOCCC(=O)NC[C@@H]1CN(CCn2c(C)csc2=O)C[C@H]1C ZINC001101960935 844348632 /nfs/dbraw/zinc/34/86/32/844348632.db2.gz RSFYJVNERKFQKO-GDBMZVCRSA-N 0 3 365.499 0.942 20 30 FCEDHN C#CCOCCC(=O)NC[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001101961929 844349106 /nfs/dbraw/zinc/34/91/06/844349106.db2.gz NOPQNZAUBWITBL-OWCLPIDISA-N 0 3 356.488 0.145 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(CCn2c(C)csc2=O)C[C@H]1C ZINC001101964673 844350032 /nfs/dbraw/zinc/35/00/32/844350032.db2.gz VMOPTIFYQHDWEZ-VNQPRFMTSA-N 0 3 365.499 0.941 20 30 FCEDHN C#CCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)c2cc(OC)ns2)[C@H](C)C1 ZINC001101981553 844360433 /nfs/dbraw/zinc/36/04/33/844360433.db2.gz IDNLERDLSSRZKK-FRRDWIJNSA-N 0 3 364.471 0.587 20 30 FCEDHN COCC#CCN1C[C@@H](CNC(=O)C2CC3(C2)CS(=O)(=O)C3)[C@H](C)C1 ZINC001102085793 844407651 /nfs/dbraw/zinc/40/76/51/844407651.db2.gz BIFFSPMUYLGWAO-GDBMZVCRSA-N 0 3 368.499 0.145 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)c2coc(OC)n2)[C@H](C)C1 ZINC001102191316 844439728 /nfs/dbraw/zinc/43/97/28/844439728.db2.gz UPHKPIGPCKPTPC-JHJVBQTASA-N 0 3 350.419 0.672 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H]2COCCN2CC(F)F)[C@H](OC)C1 ZINC001081983953 840131841 /nfs/dbraw/zinc/13/18/41/840131841.db2.gz NZFSWUILLCJTLG-QLFBSQMISA-N 0 3 361.433 0.734 20 30 FCEDHN C=CCN1CC[C@H](N[C@@H]2CN(C(=O)c3nn(C)cc3Cl)C[C@H]2C)C1=O ZINC001082530649 840448934 /nfs/dbraw/zinc/44/89/34/840448934.db2.gz GOCSMUXHOAOXHW-KWCYVHTRSA-N 0 3 365.865 0.911 20 30 FCEDHN C=CCN1CC[C@H](N[C@@H]2CN(C(=O)c3cc(Cl)n(C)n3)C[C@H]2C)C1=O ZINC001082633048 840507010 /nfs/dbraw/zinc/50/70/10/840507010.db2.gz LKXDSWXOPGMJGI-MBNYWOFBSA-N 0 3 365.865 0.911 20 30 FCEDHN C[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1NCc1ccc(C#N)s1 ZINC001082903661 840596806 /nfs/dbraw/zinc/59/68/06/840596806.db2.gz WBXLCUPQGLIKME-IAQYHMDHSA-N 0 3 357.439 0.964 20 30 FCEDHN C[C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)C[C@H]1NCc1ccc(C#N)s1 ZINC001082964080 840623189 /nfs/dbraw/zinc/62/31/89/840623189.db2.gz MSXCTQCABHVMPO-JTNHKYCSSA-N 0 3 360.439 0.609 20 30 FCEDHN C#CCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)Cc2csc(C)n2)[C@H](C)C1 ZINC001102558730 844563810 /nfs/dbraw/zinc/56/38/10/844563810.db2.gz ITSLUCNYMRKMOL-VNHYZAJKSA-N 0 3 362.499 0.816 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)CCc2nccs2)[C@H](C)C1 ZINC001102586590 844581574 /nfs/dbraw/zinc/58/15/74/844581574.db2.gz JHIMBTURTADDLU-RBSFLKMASA-N 0 3 362.499 0.898 20 30 FCEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)C[C@]3(C)CCS(=O)(=O)N3)[C@H]2C1 ZINC001083259079 840841306 /nfs/dbraw/zinc/84/13/06/840841306.db2.gz KIYXDBZHQRVJKS-UXLLHSPISA-N 0 3 371.503 0.336 20 30 FCEDHN C#CCN1CCC(C(=O)N2CCO[C@@H]3CN(C/C=C\Cl)C[C@@H]32)CC1 ZINC001083283552 840866697 /nfs/dbraw/zinc/86/66/97/840866697.db2.gz IBNWSVIKGPUGLW-AGCMFXJMSA-N 0 3 351.878 0.996 20 30 FCEDHN CCC(CC)C(=O)NCC(=O)NC[C@@H]1CN(CC#CCOC)C[C@H]1C ZINC001102623376 844611185 /nfs/dbraw/zinc/61/11/85/844611185.db2.gz BYHGRRFNFUZMFA-NVXWUHKLSA-N 0 3 351.491 0.873 20 30 FCEDHN C=CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2snnc2C)C1 ZINC001102658267 844625135 /nfs/dbraw/zinc/62/51/35/844625135.db2.gz HUSSUOFPBRUFPO-DGCLKSJQSA-N 0 3 351.476 0.837 20 30 FCEDHN C[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1CCNC(=O)CSCC#N ZINC001102685174 844629563 /nfs/dbraw/zinc/62/95/63/844629563.db2.gz XGADPYJNZWEJAO-HUUCEWRRSA-N 0 3 368.503 0.176 20 30 FCEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2Cc3cncn3C(=O)N2)C1 ZINC001086765331 842169212 /nfs/dbraw/zinc/16/92/12/842169212.db2.gz KLZVYRPJWPXMIZ-SCRDCRAPSA-N 0 3 351.838 0.993 20 30 FCEDHN C=C(C)CCN1CC[C@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@H]1CC ZINC001087826599 842440930 /nfs/dbraw/zinc/44/09/30/842440930.db2.gz XFABWEVJDKLKLV-JKSUJKDBSA-N 0 3 357.520 0.652 20 30 FCEDHN CC(C)N(C)CC(=O)N[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1O ZINC001090440460 842811103 /nfs/dbraw/zinc/81/11/03/842811103.db2.gz WXHQQYNOCHQWEO-GHMZBOCLSA-N 0 3 357.867 0.674 20 30 FCEDHN CC(C)N(C)CC(=O)N[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@@H]1O ZINC001091118038 842969467 /nfs/dbraw/zinc/96/94/67/842969467.db2.gz XULVLWHUTKFSSI-ZJUUUORDSA-N 0 3 357.867 0.674 20 30 FCEDHN CN(C)C1(C(=O)N[C@@H]2CN(c3ncc(C#N)cc3Cl)C[C@@H]2O)CCC1 ZINC001091153109 842986239 /nfs/dbraw/zinc/98/62/39/842986239.db2.gz RGOYVGNQNAMJKI-KGLIPLIRSA-N 0 3 363.849 0.757 20 30 FCEDHN CN(C)[C@@H](C(=O)N[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@@H]1O)C1CC1 ZINC001091156303 842987851 /nfs/dbraw/zinc/98/78/51/842987851.db2.gz CJEJSWWNKOCYRV-JFGNBEQYSA-N 0 3 369.878 0.674 20 30 FCEDHN CC#CCN1C[C@@H]2CN(C(=O)CN3CCCCS3(=O)=O)C[C@]2(C)C1 ZINC001091856167 843115523 /nfs/dbraw/zinc/11/55/23/843115523.db2.gz JKZXNZYICOEERV-WBVHZDCISA-N 0 3 353.488 0.216 20 30 FCEDHN C[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001092887912 843331596 /nfs/dbraw/zinc/33/15/96/843331596.db2.gz WGNKEHZETWJVSE-JMSVASOKSA-N 0 3 361.471 0.827 20 30 FCEDHN C=CCN1CCN(C(=O)[C@H]2CCN(C)[C@@H]2CC)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094634419 843620876 /nfs/dbraw/zinc/62/08/76/843620876.db2.gz WTYVADOKSJOMMB-XUWVNRHRSA-N 0 3 355.504 0.213 20 30 FCEDHN CC(C)N1CCC[C@@H]1CC(=O)N1CCN(CC#N)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094637384 843627311 /nfs/dbraw/zinc/62/73/11/843627311.db2.gz YNZDDMCXKIQREX-OWCLPIDISA-N 0 3 368.503 0.083 20 30 FCEDHN COCC#CCN(CCO)C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001098485572 843924714 /nfs/dbraw/zinc/92/47/14/843924714.db2.gz ZEVMSLCZLDEFNW-KURKYZTESA-N 0 3 350.459 0.489 20 30 FCEDHN C=CCCN1C[C@@H]2CCC[C@]2(NC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001099157704 843965750 /nfs/dbraw/zinc/96/57/50/843965750.db2.gz IVPFDUYIMKPKKB-RDJZCZTQSA-N 0 3 355.504 0.264 20 30 FCEDHN C=CCOCC(=O)NCC[C@@H]1CN(CC(=O)NCCOCC)C[C@H]1C ZINC001102774363 844645477 /nfs/dbraw/zinc/64/54/77/844645477.db2.gz FKLPEEPPTBBNPQ-HZPDHXFCSA-N 0 3 355.479 0.416 20 30 FCEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)CCS(=O)(=O)NC)C1 ZINC001102977235 844677114 /nfs/dbraw/zinc/67/71/14/844677114.db2.gz RYLGPWROBZTUIH-DGCLKSJQSA-N 0 3 351.900 0.752 20 30 FCEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001103049934 844690624 /nfs/dbraw/zinc/69/06/24/844690624.db2.gz LWAJTAHLZNESIJ-DGCLKSJQSA-N 0 3 351.900 0.705 20 30 FCEDHN C=CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2csc(=O)[nH]2)C1 ZINC001103346168 844742134 /nfs/dbraw/zinc/74/21/34/844742134.db2.gz GGUDWEIOESWQEI-VXGBXAGGSA-N 0 3 352.460 0.839 20 30 FCEDHN C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC(C)C)OC)C1 ZINC001103409689 844752156 /nfs/dbraw/zinc/75/21/56/844752156.db2.gz NANLWJVFGDABKL-BRWVUGGUSA-N 0 3 351.491 0.871 20 30 FCEDHN C=CCOCCN1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)CS(C)(=O)=O)C1 ZINC001103761325 844818478 /nfs/dbraw/zinc/81/84/78/844818478.db2.gz FQAFOZLRNFFHBG-BZUAXINKSA-N 0 3 360.520 0.944 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1C[C@@]2(CN(C(=O)C(F)F)[C@H]2C(C)C)C[C@H]1O ZINC001105581100 844988013 /nfs/dbraw/zinc/98/80/13/844988013.db2.gz BKFIXRDHHYWSEJ-WOKLECCJSA-N 0 3 359.417 0.520 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1C[C@]2(CN(C(=O)C(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105598237 844996069 /nfs/dbraw/zinc/99/60/69/844996069.db2.gz MSHDGQONVJNRLL-IIHSZXCVSA-N 0 3 351.491 0.911 20 30 FCEDHN C#CCNC(=O)CC(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCCF)C2)[C@H]1C(C)C ZINC001105622507 845002976 /nfs/dbraw/zinc/00/29/76/845002976.db2.gz BXKFJEQZQVEYRL-DTTOXWODSA-N 0 3 353.438 0.062 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1C[C@@H](CNCC(=O)Nc2nncs2)[C@H](C)C1 ZINC001106116876 845103509 /nfs/dbraw/zinc/10/35/09/845103509.db2.gz QYHCNCKPJMOWKY-JHJVBQTASA-N 0 3 365.459 0.199 20 30 FCEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)C2 ZINC001109816152 845740293 /nfs/dbraw/zinc/74/02/93/845740293.db2.gz IBUANYCBCURCFS-UGUYLWEFSA-N 0 3 373.519 0.484 20 30 FCEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCCN1C(N)=O)C2 ZINC001109959453 845768189 /nfs/dbraw/zinc/76/81/89/845768189.db2.gz LOZRDMSTPZHIDH-FXUDXRNXSA-N 0 3 350.463 0.844 20 30 FCEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](NC(N)=O)C(C)(C)C)C2 ZINC001111279329 846076594 /nfs/dbraw/zinc/07/65/94/846076594.db2.gz ZPCMDBBHIXSEFR-APIJFGDWSA-N 0 3 352.479 0.994 20 30 FCEDHN CN(C)S(=O)(=O)CCCN1C[C@@H]2CCC[C@]2(NC(=O)C#CC2CC2)C1 ZINC001111741695 846189068 /nfs/dbraw/zinc/18/90/68/846189068.db2.gz LLUCPBCKHAODGG-WMZOPIPTSA-N 0 3 367.515 0.652 20 30 FCEDHN C=CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCN2CCNC2=O)C1 ZINC001112069848 846346853 /nfs/dbraw/zinc/34/68/53/846346853.db2.gz QEXPCYROFAYDGV-VXGBXAGGSA-N 0 3 364.368 0.193 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)CNC(=O)CC)C[C@H]1C(F)(F)F ZINC001112072214 846350386 /nfs/dbraw/zinc/35/03/86/846350386.db2.gz OETUDKVFTCJWLC-VXGBXAGGSA-N 0 3 351.369 0.694 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1C(F)(F)F ZINC001112166445 846429426 /nfs/dbraw/zinc/42/94/26/846429426.db2.gz VANQIQPTKMOFTP-LALPHHSUSA-N 0 3 363.380 0.694 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)COCc2ncnn2C)C[C@H]1C(F)(F)F ZINC001112188148 846448042 /nfs/dbraw/zinc/44/80/42/846448042.db2.gz VJVZYCCHGREWLJ-VXGBXAGGSA-N 0 3 361.368 0.887 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CCCN2C(=O)CNC2=O)C[C@H]1C(F)(F)F ZINC001112203881 846460602 /nfs/dbraw/zinc/46/06/02/846460602.db2.gz OWAIYTNMCRTVQB-GHMZBOCLSA-N 0 3 362.352 0.483 20 30 FCEDHN C#CCCN[C@@H]1CN(C(=O)c2cccc(C(N)=O)n2)C[C@H]1C(F)(F)F ZINC001112213640 846470617 /nfs/dbraw/zinc/47/06/17/846470617.db2.gz RSTCZITZNOJPBG-ZWNOBZJWSA-N 0 3 354.332 0.796 20 30 FCEDHN C=CCCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCn2cncn2)C1 ZINC001112215347 846471413 /nfs/dbraw/zinc/47/14/13/846471413.db2.gz AZYSDUPHVSMAJL-CHWSQXEVSA-N 0 3 361.368 0.850 20 30 FCEDHN N#CCCC[C@H](N)C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC001118060951 847266078 /nfs/dbraw/zinc/26/60/78/847266078.db2.gz NJYAUKKAMDKSQJ-NSHDSACASA-N 0 3 352.407 0.388 20 30 FCEDHN N#Cc1cccc(NC(=O)CCNCCS(=O)(=O)N2CCOCC2)c1 ZINC001118087516 847274316 /nfs/dbraw/zinc/27/43/16/847274316.db2.gz BAFNIBAYEGPXPG-UHFFFAOYSA-N 0 3 366.443 0.138 20 30 FCEDHN C#CCCNS(=O)(=O)CCCS(=O)(=O)Nc1cc(C)nc(C)c1 ZINC001118411151 847416340 /nfs/dbraw/zinc/41/63/40/847416340.db2.gz RPQGSOYSIZOXER-UHFFFAOYSA-N 0 3 359.473 0.195 20 30 FCEDHN C=CCCC[C@H](N)C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC001122121348 848450655 /nfs/dbraw/zinc/45/06/55/848450655.db2.gz QTGZCSUFWPRBTH-CABCVRRESA-N 0 3 353.463 0.930 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NCCN[C@@H](C)C(=O)NCC(F)(F)F ZINC001127613233 848729158 /nfs/dbraw/zinc/72/91/58/848729158.db2.gz WCOPOTAOOWPEDT-TUAOUCFPSA-N 0 3 351.369 0.740 20 30 FCEDHN N#CCSCC(=O)N1C[C@@H](NCCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001129603842 848868548 /nfs/dbraw/zinc/86/85/48/848868548.db2.gz MGZRKLGCKNAFOE-CABCVRRESA-N 0 3 364.475 0.445 20 30 FCEDHN C=CCCO[C@@H](C)C(=O)N1C[C@@H](NCCOCC)[C@@H](n2ccnn2)C1 ZINC001129655637 848875940 /nfs/dbraw/zinc/87/59/40/848875940.db2.gz CAUPCZBYSZVYPI-XHSDSOJGSA-N 0 3 351.451 0.637 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)[C@@H](CC)OCC)C[C@@H]1n1ccnn1 ZINC001129652158 848876017 /nfs/dbraw/zinc/87/60/17/848876017.db2.gz ZIOLAYMLFUHLKY-OWCLPIDISA-N 0 3 351.451 0.637 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2cnc(C)s2)C[C@@H]1n1ccnn1 ZINC001129659553 848877650 /nfs/dbraw/zinc/87/76/50/848877650.db2.gz KYWKWKKLCXBHKL-KGLIPLIRSA-N 0 3 362.459 0.901 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)N1C[C@@H](NCCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129795723 848895090 /nfs/dbraw/zinc/89/50/90/848895090.db2.gz NHUFYGNNOYUPIW-MBNYWOFBSA-N 0 3 361.368 0.899 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)C2(CCF)CC2)C[C@@H]1n1ccnn1 ZINC001129945935 848919957 /nfs/dbraw/zinc/91/99/57/848919957.db2.gz YSIIGAGOSMLVAD-CABCVRRESA-N 0 3 351.426 0.962 20 30 FCEDHN C=C(C)C[C@@H](C)C(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129976257 848924448 /nfs/dbraw/zinc/92/44/48/848924448.db2.gz KELHMOHVJUEUMI-OAGGEKHMSA-N 0 3 351.451 0.231 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H](C)N(C)CC(F)(F)F)C[C@@H]1n1ccnn1 ZINC001129976155 848924688 /nfs/dbraw/zinc/92/46/88/848924688.db2.gz FWBVLEXHMWOTJD-XQQFMLRXSA-N 0 3 360.384 0.688 20 30 FCEDHN C=C[C@](C)(CC)C(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129995975 848927937 /nfs/dbraw/zinc/92/79/37/848927937.db2.gz VMGZXVJKBBUARU-HLLBOEOZSA-N 0 3 351.451 0.231 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CNC(=O)c2ccsc2)C[C@@H]1n1ccnn1 ZINC001130127982 848948694 /nfs/dbraw/zinc/94/86/94/848948694.db2.gz RIXKNXITOGKLSO-KGLIPLIRSA-N 0 3 360.443 0.297 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2csnn2)[n-]1 ZINC001130224874 848980901 /nfs/dbraw/zinc/98/09/01/848980901.db2.gz GOAOHEXNZUFUCB-JQWIXIFHSA-N 0 3 361.431 0.072 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3scnc3C)n[n-]2)O1 ZINC001130765213 849037516 /nfs/dbraw/zinc/03/75/16/849037516.db2.gz HNCUDKLZBKVAMV-NWDGAFQWSA-N 0 3 360.443 0.943 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3scnc3C)n2)O1 ZINC001130765213 849037522 /nfs/dbraw/zinc/03/75/22/849037522.db2.gz HNCUDKLZBKVAMV-NWDGAFQWSA-N 0 3 360.443 0.943 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3csc(C)n3)n[n-]2)O1 ZINC001130802336 849046590 /nfs/dbraw/zinc/04/65/90/849046590.db2.gz PCJWAOIDNQNLHG-WCQYABFASA-N 0 3 360.443 0.943 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3csc(C)n3)n2)O1 ZINC001130802336 849046601 /nfs/dbraw/zinc/04/66/01/849046601.db2.gz PCJWAOIDNQNLHG-WCQYABFASA-N 0 3 360.443 0.943 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C(C)(C)CS(C)(=O)=O)C[C@H]1c1cncn1C ZINC001131136238 849083261 /nfs/dbraw/zinc/08/32/61/849083261.db2.gz CWVABZKZTYTFJZ-ZIAGYGMSSA-N 0 3 368.503 0.561 20 30 FCEDHN C[C@@H](C#N)C(=O)N1CCC([C@@H]2OCC[C@H]2NCCS(C)(=O)=O)CC1 ZINC001131451283 849107092 /nfs/dbraw/zinc/10/70/92/849107092.db2.gz JRVSLJTYUJYNBU-CFVMTHIKSA-N 0 3 357.476 0.176 20 30 FCEDHN C#CCNCCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133408081 849150290 /nfs/dbraw/zinc/15/02/90/849150290.db2.gz VTNIVZRZIOIONE-JKSUJKDBSA-N 0 3 363.845 0.924 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCCN[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC001134061958 849172027 /nfs/dbraw/zinc/17/20/27/849172027.db2.gz LKQQNQXXMMDFSR-MJBXVCDLSA-N 0 3 354.451 0.154 20 30 FCEDHN C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@H]1c1ccc(C)s1 ZINC001135035314 849188846 /nfs/dbraw/zinc/18/88/46/849188846.db2.gz CTKKDKIDQRNQDW-CHWSQXEVSA-N 0 3 364.471 0.878 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN[C@@H](C)C(=O)NCCCOCC ZINC001135147578 849193431 /nfs/dbraw/zinc/19/34/31/849193431.db2.gz MWGMCNKCNTYKTK-JYJNAYRXSA-N 0 3 355.479 0.605 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN[C@H](C)C(=O)NC(=O)NC1CC1 ZINC001135147605 849193797 /nfs/dbraw/zinc/19/37/97/849193797.db2.gz OGICMGHVQGHYPW-XBFCOCLRSA-N 0 3 352.435 0.050 20 30 FCEDHN C#CCOC[C@@H](O)CN1CCC2(CCC(=O)N([C@@H](C)C(C)=O)C2)CC1 ZINC001277711939 862022117 /nfs/dbraw/zinc/02/21/17/862022117.db2.gz LVPDUJCRITYYFN-RDJZCZTQSA-N 0 3 350.459 0.679 20 30 FCEDHN C#CCOC[C@@H](O)CN1CCOC[C@@]2(CC(=O)N(CC=C(C)C)C2)C1 ZINC001277712479 862025266 /nfs/dbraw/zinc/02/52/66/862025266.db2.gz PZASWNQXHZGMRM-HKUYNNGSSA-N 0 3 350.459 0.514 20 30 FCEDHN C=CCOC[C@@H](O)CN1CC[C@@]2(C1)CN(CCC(F)(F)F)C(=O)CO2 ZINC001277775151 862066852 /nfs/dbraw/zinc/06/68/52/862066852.db2.gz LDUQYZUAAHTWAF-DZGCQCFKSA-N 0 3 366.380 0.806 20 30 FCEDHN CCCCOC[C@H](O)CN1CC[C@@]2(C1)CN(CCCC#N)C(=O)CO2 ZINC001277779271 862075955 /nfs/dbraw/zinc/07/59/55/862075955.db2.gz ZDTWRHHVPKOOFN-SJLPKXTDSA-N 0 3 353.463 0.771 20 30 FCEDHN CC(C)OC[C@H](O)CN1CCOC[C@]2(CC(=O)N(CCCC#N)C2)C1 ZINC001277791794 862091520 /nfs/dbraw/zinc/09/15/20/862091520.db2.gz HEEAYYNCGLPBHZ-SJLPKXTDSA-N 0 3 353.463 0.627 20 30 FCEDHN C#CCCN1CCC[C@@H](N[C@H]2C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C2)C1=O ZINC001173571523 850727518 /nfs/dbraw/zinc/72/75/18/850727518.db2.gz XKECMSQLDFMFOZ-LXTVHRRPSA-N 0 3 350.415 0.331 20 30 FCEDHN C=C(CN1CCCC1)C(=O)N(Cc1noc2c1CNCC2)S(C)(=O)=O ZINC001183042807 851222582 /nfs/dbraw/zinc/22/25/82/851222582.db2.gz FHZVSOVTLJYAQN-UHFFFAOYSA-N 0 3 368.459 0.261 20 30 FCEDHN C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3cc(C(F)F)[nH]n3)[C@@H]2C1 ZINC001189093585 851750195 /nfs/dbraw/zinc/75/01/95/851750195.db2.gz MWZPPAPROCTYBU-GXFFZTMASA-N 0 3 353.373 0.796 20 30 FCEDHN C=CCCOCC(=O)N1CC[C@H]2CN(CCOCCNC(C)=O)C[C@H]21 ZINC001190430687 851905162 /nfs/dbraw/zinc/90/51/62/851905162.db2.gz KYPIKUHDUUFYED-DLBZAZTESA-N 0 3 353.463 0.265 20 30 FCEDHN C#CCOCCC(=O)N[C@@H]1CN(CCCOCC(F)(F)F)C[C@H]1O ZINC001192878305 852304453 /nfs/dbraw/zinc/30/44/53/852304453.db2.gz BTHMXXRZEITEEJ-CHWSQXEVSA-N 0 3 352.353 0.157 20 30 FCEDHN C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cnn(CCOC)c2C)C1 ZINC001192931333 852314248 /nfs/dbraw/zinc/31/42/48/852314248.db2.gz IBDOWYVBPXKUCN-KBRIMQKVSA-N 0 3 350.463 0.968 20 30 FCEDHN COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)C(C)C#N ZINC001193114664 852357535 /nfs/dbraw/zinc/35/75/35/852357535.db2.gz AMXKKORQLWSCHC-GHMZBOCLSA-N 0 3 361.420 0.323 20 30 FCEDHN COC(=O)[C@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)C(C)C#N ZINC001193138098 852370825 /nfs/dbraw/zinc/37/08/25/852370825.db2.gz FRHDYBRPDMPZSG-DZGCQCFKSA-N 0 3 351.428 0.588 20 30 FCEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC001193472721 852432262 /nfs/dbraw/zinc/43/22/62/852432262.db2.gz HAPZRJIDLSAWDJ-RRFJBIMHSA-N 0 3 353.463 0.656 20 30 FCEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)CN(C)C(=O)c2cccs2)C1 ZINC001193473788 852433639 /nfs/dbraw/zinc/43/36/39/852433639.db2.gz WLWFAPHVGLFZOB-ZIAGYGMSSA-N 0 3 351.472 0.948 20 30 FCEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CN2CCOCC2)C1 ZINC001198698854 853303426 /nfs/dbraw/zinc/30/34/26/853303426.db2.gz GSZMKJTYZXTCCD-RCCFBDPRSA-N 0 3 353.507 0.862 20 30 FCEDHN COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001199097156 853369171 /nfs/dbraw/zinc/36/91/71/853369171.db2.gz WKIPTNWCCWCRLX-KZNAEPCWSA-N 0 3 351.491 0.308 20 30 FCEDHN C=CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CCCO1 ZINC001201448069 853529477 /nfs/dbraw/zinc/52/94/77/853529477.db2.gz QUFILBOCTAQDKC-FPCVCCKLSA-N 0 3 351.447 0.063 20 30 FCEDHN C=CCOCCCC(=O)N[C@@H]1CN(CCOCCNC(C)=O)C[C@H]1C ZINC001206782693 853720701 /nfs/dbraw/zinc/72/07/01/853720701.db2.gz UCFRXPGCRAKOMK-NVXWUHKLSA-N 0 3 355.479 0.558 20 30 FCEDHN C#CCCCCC(=O)N[C@@H]1CN(C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1C ZINC001206884751 853734522 /nfs/dbraw/zinc/73/45/22/853734522.db2.gz CXLSBAWINPSUFZ-BRWVUGGUSA-N 0 3 369.531 0.898 20 30 FCEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001207263522 853795175 /nfs/dbraw/zinc/79/51/75/853795175.db2.gz VEPGKNRSSKIMGC-OWCLPIDISA-N 0 3 353.463 0.120 20 30 FCEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1 ZINC001208129503 853898899 /nfs/dbraw/zinc/89/88/99/853898899.db2.gz XDKURZZIQXSSPQ-XLNGHYISSA-N 0 3 353.463 0.261 20 30 FCEDHN C[C@@H](C#N)S(=O)(=O)N1CCC[C@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001278842189 862525580 /nfs/dbraw/zinc/52/55/80/862525580.db2.gz QRKFGLHDUQLLCF-HOCLYGCPSA-N 0 3 356.492 0.494 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2OCC[C@H]2C)C1 ZINC001209700370 854046603 /nfs/dbraw/zinc/04/66/03/854046603.db2.gz URFYONXXNMERLK-NFAWXSAZSA-N 0 3 352.435 0.004 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1c1ccccc1 ZINC001211661560 854224501 /nfs/dbraw/zinc/22/45/01/854224501.db2.gz CMJBAFIRXPCTNW-DLBZAZTESA-N 0 3 363.483 0.663 20 30 FCEDHN CCCCCCCN1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](OC)C1 ZINC001212491407 854500392 /nfs/dbraw/zinc/50/03/92/854500392.db2.gz FWZFTDUOOKUYNV-HUUCEWRRSA-N 0 3 353.467 0.368 20 30 FCEDHN CCCCCCCN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H](OC)C1 ZINC001213437632 854615899 /nfs/dbraw/zinc/61/58/99/854615899.db2.gz FFYNHHAEABJIDE-QKPAOTATSA-N 0 3 355.479 0.805 20 30 FCEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@H](OC)C1 ZINC001213491041 854638214 /nfs/dbraw/zinc/63/82/14/854638214.db2.gz GYPVDZBXALDMMY-RRFJBIMHSA-N 0 3 361.508 0.486 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)[C@H](OC)C1 ZINC001213547327 854660360 /nfs/dbraw/zinc/66/03/60/854660360.db2.gz OKYAOGJSPOMQGI-KFWWJZLASA-N 0 3 361.508 0.342 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H](NC(=O)COC)C(C)C)[C@H](OC)C1 ZINC001213549939 854660722 /nfs/dbraw/zinc/66/07/22/854660722.db2.gz SWTQCRFJGOKUBE-INMHGKMJSA-N 0 3 355.479 0.555 20 30 FCEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1C ZINC001214080110 854880069 /nfs/dbraw/zinc/88/00/69/854880069.db2.gz HPCCXDWJUACCME-HUUCEWRRSA-N 0 3 351.447 0.736 20 30 FCEDHN C=CCCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NCC)C1 ZINC001214282054 854918629 /nfs/dbraw/zinc/91/86/29/854918629.db2.gz AJCFJIPQJQICEC-MGPQQGTHSA-N 0 3 354.451 0.250 20 30 FCEDHN C=CCCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCOCC2)C1 ZINC001214282236 854919014 /nfs/dbraw/zinc/91/90/14/854919014.db2.gz DKJZZWHVGFGZSC-OWCLPIDISA-N 0 3 353.463 0.263 20 30 FCEDHN C=CCOCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCCCOC(C)C)C1 ZINC001214329743 854925953 /nfs/dbraw/zinc/92/59/53/854925953.db2.gz LRLSUXPQFZGXJL-HZPDHXFCSA-N 0 3 355.479 0.557 20 30 FCEDHN 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XCYOSZSPZTYAFM-XDNAFOTISA-N 0 3 353.507 0.933 20 30 FCEDHN CCCCCCCN1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC001275282600 861011134 /nfs/dbraw/zinc/01/11/34/861011134.db2.gz UJSZJOUPFVSFIU-XSLAGTTESA-N 0 3 353.507 0.933 20 30 FCEDHN COCCOCN1CCN(CCCCC#N)C[C@@]2(CCCC(=O)N2)C1 ZINC001280186548 863316674 /nfs/dbraw/zinc/31/66/74/863316674.db2.gz SRBLLNYPJLXCHK-SFHVURJKSA-N 0 3 352.479 0.957 20 30 FCEDHN CC(C)[C@H](C(=O)N1C[C@@H]2CCN(C(=O)CSCC#N)[C@@H]2C1)N(C)C ZINC001288912648 864810714 /nfs/dbraw/zinc/81/07/14/864810714.db2.gz PEULCHLWDXYTKZ-SQWLQELKSA-N 0 3 352.504 0.889 20 30 FCEDHN C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1 ZINC001356157659 867946861 /nfs/dbraw/zinc/94/68/61/867946861.db2.gz XJIFMSRPASFHJA-ZDUSSCGKSA-N 0 3 370.523 0.995 20 30 FCEDHN COCCN1CCC[C@@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC001356531651 868019878 /nfs/dbraw/zinc/01/98/78/868019878.db2.gz DSZHXCWNWNKKTI-OAHLLOKOSA-N 0 3 352.460 0.427 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NC[C@H](C)C(=O)OC(C)(C)C)CC1 ZINC001327737691 871048117 /nfs/dbraw/zinc/04/81/17/871048117.db2.gz XMBTYXKGZHUSQU-ZDUSSCGKSA-N 0 3 353.463 0.847 20 30 FCEDHN C=CCN(C(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1)[C@@H](C)COC ZINC001328292975 871339993 /nfs/dbraw/zinc/33/99/93/871339993.db2.gz KKUGLJZVYGORCB-CVEARBPZSA-N 0 3 354.495 0.036 20 30 FCEDHN N#Cc1ccc(OCC[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000822833840 946199009 /nfs/dbraw/zinc/19/90/09/946199009.db2.gz XCRDBKPRFLTBCF-CYBMUJFWSA-N 0 3 365.401 0.645 20 30 FCEDHN N#Cc1ccc(OCC[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000822833840 946199014 /nfs/dbraw/zinc/19/90/14/946199014.db2.gz XCRDBKPRFLTBCF-CYBMUJFWSA-N 0 3 365.401 0.645 20 30 FCEDHN C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1 ZINC001573283608 946719501 /nfs/dbraw/zinc/71/95/01/946719501.db2.gz VZSBCDPZJNVMKS-CQSZACIVSA-N 0 3 368.445 0.050 20 30 FCEDHN C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1 ZINC001573283608 946719510 /nfs/dbraw/zinc/71/95/10/946719510.db2.gz VZSBCDPZJNVMKS-CQSZACIVSA-N 0 3 368.445 0.050 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C(F)(F)F ZINC001573285224 946769947 /nfs/dbraw/zinc/76/99/47/946769947.db2.gz FJMFJBGHEHHEFA-ZJUUUORDSA-N 0 3 367.335 0.668 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NCC[N@@H+](CC)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573286644 946813500 /nfs/dbraw/zinc/81/35/00/946813500.db2.gz GWCAXOZBFGHEJB-ZDUSSCGKSA-N 0 3 374.420 0.982 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NCC[N@H+](CC)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573286644 946813515 /nfs/dbraw/zinc/81/35/15/946813515.db2.gz GWCAXOZBFGHEJB-ZDUSSCGKSA-N 0 3 374.420 0.982 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@H](CC)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573286757 946818428 /nfs/dbraw/zinc/81/84/28/946818428.db2.gz IGKJXBAEVFEJNW-ZFWWWQNUSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@H](CC)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573286757 946818436 /nfs/dbraw/zinc/81/84/36/946818436.db2.gz IGKJXBAEVFEJNW-ZFWWWQNUSA-N 0 3 356.430 0.889 20 30 FCEDHN C[C@H](C#N)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573560635 946956058 /nfs/dbraw/zinc/95/60/58/946956058.db2.gz DXDZGYALRKPSSX-ZYHUDNBSSA-N 0 3 361.381 0.074 20 30 FCEDHN C=C(C)CCC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573299531 947096569 /nfs/dbraw/zinc/09/65/69/947096569.db2.gz JYAQASZNGAFUIG-CYBMUJFWSA-N 0 3 362.409 0.929 20 30 FCEDHN C[C@@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573571016 947098288 /nfs/dbraw/zinc/09/82/88/947098288.db2.gz WVIRDPFUTMJFOK-WCQYABFASA-N 0 3 373.392 0.482 20 30 FCEDHN C=CC(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573304766 947143685 /nfs/dbraw/zinc/14/36/85/947143685.db2.gz GUGSFJFBNFOFCP-GFCCVEGCSA-N 0 3 362.409 0.785 20 30 FCEDHN C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573335508 947479146 /nfs/dbraw/zinc/47/91/46/947479146.db2.gz PZJBGTCVCVINJL-ZDUSSCGKSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573335508 947479152 /nfs/dbraw/zinc/47/91/52/947479152.db2.gz PZJBGTCVCVINJL-ZDUSSCGKSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573335508 947479158 /nfs/dbraw/zinc/47/91/58/947479158.db2.gz PZJBGTCVCVINJL-ZDUSSCGKSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573335508 947479166 /nfs/dbraw/zinc/47/91/66/947479166.db2.gz PZJBGTCVCVINJL-ZDUSSCGKSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001573347388 947573658 /nfs/dbraw/zinc/57/36/58/947573658.db2.gz DCCSFGNEZFNPNM-HIFRSBDPSA-N 0 3 371.445 0.791 20 30 FCEDHN C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001573347388 947573666 /nfs/dbraw/zinc/57/36/66/947573666.db2.gz DCCSFGNEZFNPNM-HIFRSBDPSA-N 0 3 371.445 0.791 20 30 FCEDHN CN1CCC[C@@H]1C(=O)N1CCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000162495851 530055907 /nfs/dbraw/zinc/05/59/07/530055907.db2.gz CGPMBTQNEBYRCH-MRXNPFEDSA-N 0 3 361.490 0.567 20 30 FCEDHN N#Cc1cccc(NC(=O)C2CCN(C[C@@H](O)CN3CCOCC3)CC2)c1 ZINC000331505150 215007108 /nfs/dbraw/zinc/00/71/08/215007108.db2.gz BQMKPBYYHPYLAL-LJQANCHMSA-N 0 3 372.469 0.902 20 30 FCEDHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)c2cccnc2C#N)CC1 ZINC000276942442 212310529 /nfs/dbraw/zinc/31/05/29/212310529.db2.gz AWTWGVDWEGVOPR-AWEZNQCLSA-N 0 3 351.476 0.505 20 30 FCEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000185420660 209176629 /nfs/dbraw/zinc/17/66/29/209176629.db2.gz YAMDUUFXNXCPEC-BBRMVZONSA-N 0 3 353.426 0.888 20 30 FCEDHN C[C@@]1(C2CCN(C[C@@H](O)COc3ccc(C#N)cc3)CC2)NC(=O)NC1=O ZINC000374105115 217096225 /nfs/dbraw/zinc/09/62/25/217096225.db2.gz HHYDPWDABVLYBR-BEFAXECRSA-N 0 3 372.425 0.608 20 30 FCEDHN N#Cc1ccccc1-c1ccc(CNC(=O)C(=O)N(CCN)CCO)cc1 ZINC000419651815 246230786 /nfs/dbraw/zinc/23/07/86/246230786.db2.gz VCVQSVJEPBSOSU-UHFFFAOYSA-N 0 3 366.421 0.621 20 30 FCEDHN N#Cc1cccnc1OC1CCC(NC(=O)C(=O)N[C@@H](CN)C2CC2)CC1 ZINC000419722437 246269461 /nfs/dbraw/zinc/26/94/61/246269461.db2.gz BLLZHARRMWNHBO-GPANFISMSA-N 0 3 371.441 0.613 20 30 FCEDHN N#CCCC[C@H](N)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000424092336 247168257 /nfs/dbraw/zinc/16/82/57/247168257.db2.gz PVKYEQAHRUIZLI-INIZCTEOSA-N 0 3 362.405 0.896 20 30 FCEDHN N#CCCC[C@@H](N)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000424092339 247168564 /nfs/dbraw/zinc/16/85/64/247168564.db2.gz PVKYEQAHRUIZLI-MRXNPFEDSA-N 0 3 362.405 0.896 20 30 FCEDHN COC(=O)c1ccsc1N1CC[C@H](NC(=O)[C@@H](N)CCCC#N)C1=O ZINC000424134018 247171177 /nfs/dbraw/zinc/17/11/77/247171177.db2.gz AJZSYFRNGDLDIG-RYUDHWBXSA-N 0 3 364.427 0.777 20 30 FCEDHN Cn1ccc(=O)n(CCCNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1=O ZINC000425277926 247313944 /nfs/dbraw/zinc/31/39/44/247313944.db2.gz JHXYCKXBXMGDBQ-INIZCTEOSA-N 0 3 365.393 0.307 20 30 FCEDHN CC1CCN(C[C@H](O)CNC(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000435656674 248007958 /nfs/dbraw/zinc/00/79/58/248007958.db2.gz SXGNPQLKUHJTHV-OAHLLOKOSA-N 0 3 362.405 0.845 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(C(=O)NC)ccc2OC)CC1 ZINC000442295404 248284047 /nfs/dbraw/zinc/28/40/47/248284047.db2.gz RCVQZNLPFUKCAN-UHFFFAOYSA-N 0 3 374.441 0.760 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccnc2N2CCOCC2)CC1 ZINC000442298622 248284838 /nfs/dbraw/zinc/28/48/38/248284838.db2.gz FJDNFXUKTHPYNT-UHFFFAOYSA-N 0 3 373.457 0.623 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000442307480 248285222 /nfs/dbraw/zinc/28/52/22/248285222.db2.gz RWDOUYZYPPGFKS-UHFFFAOYSA-N 0 3 358.398 0.837 20 30 FCEDHN CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000443158354 248309211 /nfs/dbraw/zinc/30/92/11/248309211.db2.gz YUUAPFBLNPYZIV-NSHDSACASA-N 0 3 374.319 0.434 20 30 FCEDHN C[C@@H](CNC(=O)C(=O)N1CCc2ccc(C#N)cc21)CN1CCN(C)CC1 ZINC000270263366 211176787 /nfs/dbraw/zinc/17/67/87/211176787.db2.gz ZMUTVUDJAVEOKG-HNNXBMFYSA-N 0 3 369.469 0.447 20 30 FCEDHN CS(=O)(=O)N1CC[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000471047977 250088041 /nfs/dbraw/zinc/08/80/41/250088041.db2.gz MYTQJGUPNNKECF-HZPDHXFCSA-N 0 3 360.439 0.638 20 30 FCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000471440564 250101927 /nfs/dbraw/zinc/10/19/27/250101927.db2.gz CANAKVNXWQSYLO-IRXDYDNUSA-N 0 3 373.457 0.664 20 30 FCEDHN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000481154461 250319959 /nfs/dbraw/zinc/31/99/59/250319959.db2.gz GWJZBANIOUYPGB-GXTWGEPZSA-N 0 3 362.455 0.578 20 30 FCEDHN N#Cc1ccc(NC(=O)CCN2CCC(CS(N)(=O)=O)CC2)cc1 ZINC000089992999 208127851 /nfs/dbraw/zinc/12/78/51/208127851.db2.gz CSMNBINBANOSEZ-UHFFFAOYSA-N 0 3 350.444 0.887 20 30 FCEDHN CCN1CCN(CCNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 ZINC000088768733 208120617 /nfs/dbraw/zinc/12/06/17/208120617.db2.gz LUSGIQNZSXYQNP-UHFFFAOYSA-N 0 3 363.849 0.904 20 30 FCEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCN(C)CCCOC ZINC000266647246 210374201 /nfs/dbraw/zinc/37/42/01/210374201.db2.gz KDXYNQKWAZPIOV-UHFFFAOYSA-N 0 3 362.430 0.980 20 30 FCEDHN C[C@@H](C#N)CN(C)C(=O)C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000411019129 533131533 /nfs/dbraw/zinc/13/15/33/533131533.db2.gz MBSZFYRKJNEPIL-OXJNMPFZSA-N 0 3 372.469 0.700 20 30 FCEDHN NC(=NOCc1nc(N)nc(N)n1)c1cccc(CN2CCCCC2)c1 ZINC000263739881 229318762 /nfs/dbraw/zinc/31/87/62/229318762.db2.gz RFPPXKJLARCWGE-UHFFFAOYSA-N 0 3 356.434 0.859 20 30 FCEDHN CN(C)CCN1C[C@@H](C(=O)N2CCC(C#N)(c3ccccn3)CC2)CC1=O ZINC000374359114 229977126 /nfs/dbraw/zinc/97/71/26/229977126.db2.gz IGZCEOMRNVRRQW-INIZCTEOSA-N 0 3 369.469 0.875 20 30 FCEDHN CN(C)[C@]1(CNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)CCSC1 ZINC000328780665 488937480 /nfs/dbraw/zinc/93/74/80/488937480.db2.gz HBOBRIQJPRFDIV-OCCSQVGLSA-N 0 3 364.537 0.351 20 30 FCEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 ZINC000279448162 488943013 /nfs/dbraw/zinc/94/30/13/488943013.db2.gz BSQQGVOKUKENGJ-QGZVFWFLSA-N 0 3 365.437 0.663 20 30 FCEDHN C[C@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)N1CCc2ccccc2C1 ZINC000026730117 487684555 /nfs/dbraw/zinc/68/45/55/487684555.db2.gz QGHGTESIYFTHEJ-CYBMUJFWSA-N 0 3 353.426 0.814 20 30 FCEDHN Cc1cc(C(C#N)C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)nc(C)n1 ZINC000041560960 487829548 /nfs/dbraw/zinc/82/95/48/487829548.db2.gz PDMVWEWKNFPAQM-CYBMUJFWSA-N 0 3 364.365 0.529 20 30 FCEDHN CN1CCC2(CCCN2C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000329080692 488967128 /nfs/dbraw/zinc/96/71/28/488967128.db2.gz RMTLRJFGUUUIRV-CQSZACIVSA-N 0 3 358.508 0.885 20 30 FCEDHN COC(=O)c1cc(C#N)c(=O)n(C[C@@H](O)CN(C)Cc2ccccc2)c1 ZINC000060343648 488288667 /nfs/dbraw/zinc/28/86/67/488288667.db2.gz RUDKHACVJGVFAZ-KRWDZBQOSA-N 0 3 355.394 0.999 20 30 FCEDHN C[C@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)N(C)C1CC1 ZINC000068217051 488362612 /nfs/dbraw/zinc/36/26/12/488362612.db2.gz AVLPJXOAVPKGRR-CYBMUJFWSA-N 0 3 364.471 0.778 20 30 FCEDHN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000187386162 488409881 /nfs/dbraw/zinc/40/98/81/488409881.db2.gz AQGDCMMNBHZKCU-CQSZACIVSA-N 0 3 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C[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)n1cc(CNCC#N)nn1 ZINC000603212241 492019490 /nfs/dbraw/zinc/01/94/90/492019490.db2.gz QTQVXUKTNXBSES-RDJZCZTQSA-N 0 3 367.457 0.843 20 30 FCEDHN CC(C)C[C@H](NS(=O)(=O)CCCC#N)C(=O)N1CC[C@H](N(C)C)C1 ZINC000603377961 492029917 /nfs/dbraw/zinc/02/99/17/492029917.db2.gz UEIKBJXPUBIOJH-GJZGRUSLSA-N 0 3 358.508 0.787 20 30 FCEDHN CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000597404621 492036550 /nfs/dbraw/zinc/03/65/50/492036550.db2.gz LLRUASHSIATGHA-SFHVURJKSA-N 0 3 370.453 0.886 20 30 FCEDHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000597653825 492056648 /nfs/dbraw/zinc/05/66/48/492056648.db2.gz NCGRQKUFTQIRNX-OLZOCXBDSA-N 0 3 364.833 0.603 20 30 FCEDHN CCN1CCC[C@@H]1CNC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000615989595 492113591 /nfs/dbraw/zinc/11/35/91/492113591.db2.gz XNGAUQQEQYOHGP-OAHLLOKOSA-N 0 3 359.478 0.916 20 30 FCEDHN CC[C@@H]1CN(C)CCCN1C(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000598697659 492114329 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C=CCn1c(COCCOC)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000634339238 492338964 /nfs/dbraw/zinc/33/89/64/492338964.db2.gz BAUPVZURYMOTFF-MRXNPFEDSA-N 0 3 365.478 0.786 20 30 FCEDHN O=C1c2ccccc2C(=O)N1CC#CCN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000625135436 492728773 /nfs/dbraw/zinc/72/87/73/492728773.db2.gz LYBMOEARWPAQHR-RBUKOAKNSA-N 0 3 367.449 0.817 20 30 FCEDHN CC#CCNCc1cn(CC(=O)NC[C@H](c2ccccc2)N(C)C)nn1 ZINC000640837535 493135325 /nfs/dbraw/zinc/13/53/25/493135325.db2.gz UHFWNMYHNJWASI-GOSISDBHSA-N 0 3 354.458 0.810 20 30 FCEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CN(C)C(=O)[C@@H]1C)C(C)C ZINC000646989205 493141649 /nfs/dbraw/zinc/14/16/49/493141649.db2.gz RMEMZPFZLRTOPY-GJZGRUSLSA-N 0 3 350.463 0.448 20 30 FCEDHN C=CC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000668581928 493378777 /nfs/dbraw/zinc/37/87/77/493378777.db2.gz NXUSDFJNSQXODR-IAGOWNOFSA-N 0 3 350.507 0.801 20 30 FCEDHN C=CCN1CC[C@H](N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)C1=O ZINC000661176359 493415163 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FCEDHN C=C(C)[C@H](NC(=O)C(=O)NC[C@@H]1CNCCO1)c1ccc(F)c(F)c1 ZINC000419682088 534336294 /nfs/dbraw/zinc/33/62/94/534336294.db2.gz SLCDRYNKORJDHO-WFASDCNBSA-N 0 3 353.369 0.803 20 30 FCEDHN N#Cc1cnn(-c2ccc(C(=O)NC[C@@H](O)CN3CCCCC3)cc2)c1N ZINC000160545192 534828450 /nfs/dbraw/zinc/82/84/50/534828450.db2.gz ZIPGMAZSZXLLST-QGZVFWFLSA-N 0 3 368.441 0.903 20 30 FCEDHN CC#CCNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000190535109 526365667 /nfs/dbraw/zinc/36/56/67/526365667.db2.gz WTWLNUJAVJTBHZ-KRWDZBQOSA-N 0 3 370.453 0.931 20 30 FCEDHN C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(CN(C)C)cc2F)C1=O ZINC000412555600 526401633 /nfs/dbraw/zinc/40/16/33/526401633.db2.gz CDIYKDJYMXYOHA-UHFFFAOYSA-N 0 3 362.361 0.803 20 30 FCEDHN C=CCN1CCC(NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 ZINC000266304176 526447886 /nfs/dbraw/zinc/44/78/86/526447886.db2.gz DINJUKSBBZJMKM-UHFFFAOYSA-N 0 3 365.455 0.326 20 30 FCEDHN C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)C1=O ZINC000286335391 526489632 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FCEDHN C#CCN(C)CCCNC(=O)NCC(C)(C)[C@@H]1COCC12OCCO2 ZINC000838621954 667946375 /nfs/dbraw/zinc/94/63/75/667946375.db2.gz JLSPGXPJXGRLFS-HNNXBMFYSA-N 0 3 353.463 0.656 20 30 FCEDHN C#C[C@@H](NC(=O)N1CCN(C(=O)CN(CC)CC)CC1)[C@@H]1CCCO1 ZINC000776230448 668252396 /nfs/dbraw/zinc/25/23/96/668252396.db2.gz LGVRSKSBSFKPFM-CVEARBPZSA-N 0 3 350.463 0.363 20 30 FCEDHN C[C@H](CC(=O)OCCC[NH+](C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000791970503 668897341 /nfs/dbraw/zinc/89/73/41/668897341.db2.gz JNNOEWGLQAYVMT-GFCCVEGCSA-N 0 3 353.444 0.999 20 30 FCEDHN C=CCN(CCOC)CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000792406340 668903556 /nfs/dbraw/zinc/90/35/56/668903556.db2.gz IPTQCDQIZLZKGU-UHFFFAOYSA-N 0 3 352.435 0.797 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 ZINC000804270090 669372408 /nfs/dbraw/zinc/37/24/08/669372408.db2.gz KBWHBHACIYKAQD-LBPRGKRZSA-N 0 3 369.409 0.270 20 30 FCEDHN CCOCCCNC(=O)C(C#N)C(=O)Cc1ccccc1S(C)(=O)=O ZINC000810527190 669686986 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ZTXMNDGDNDMJTB-PKOBYXMFSA-N 0 3 370.501 0.676 20 30 FCEDHN C#CCNC(=O)CC(=O)N[C@@H]1CN(CCCc2cccc(C)c2)C[C@H]1OC ZINC001212150073 1196478889 /nfs/dbraw/zinc/47/88/89/1196478889.db2.gz NWPOAGIVFGFGEX-RTBURBONSA-N 0 3 371.481 0.883 20 30 FCEDHN N#Cc1cnn(-c2ccc(C(=O)NC[C@]3(O)CN4CCC3CC4)cc2)c1N ZINC000594357857 1196715078 /nfs/dbraw/zinc/71/50/78/1196715078.db2.gz POTKWKLCUXRTNM-IBGZPJMESA-N 0 3 366.425 0.513 20 30 FCEDHN C#Cc1ccc(C(=O)N[C@H]2CCN(C[C@@H](O)Cn3cccn3)[C@@H]2C)nc1 ZINC001088990918 1196858906 /nfs/dbraw/zinc/85/89/06/1196858906.db2.gz XKZGSMXHLGIVEM-OIISXLGYSA-N 0 3 353.426 0.513 20 30 FCEDHN C#CCN1CCC(C(=O)NC2CC(CNC(=O)[C@]34C[C@H]3COC4)C2)CC1 ZINC000992176133 1197000120 /nfs/dbraw/zinc/00/01/20/1197000120.db2.gz SKBAIMUOTSRIRW-VQEPCJJFSA-N 0 3 359.470 0.379 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1C[C@@H](CNCc2cn(CC3CC3)nn2)[C@H](C)C1 ZINC001106112190 1197022698 /nfs/dbraw/zinc/02/26/98/1197022698.db2.gz XORUTTXMKICARB-BFYDXBDKSA-N 0 3 359.474 0.911 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)CCn2cnccc2=O)[C@@H](n2ccnn2)C1 ZINC001129360266 1199115684 /nfs/dbraw/zinc/11/56/84/1199115684.db2.gz XTLDPZBIXVLSCQ-CVEARBPZSA-N 0 3 371.445 0.233 20 30 FCEDHN CCN(CC)C[C@H](F)C(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@@H]1O ZINC001219732603 1224584540 /nfs/dbraw/zinc/58/45/40/1224584540.db2.gz ZSEQRKMRZWMESX-KSZLIROESA-N 0 3 362.449 0.899 20 30 FCEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COCCN1CC(F)F)C2 ZINC001109560619 1200384588 /nfs/dbraw/zinc/38/45/88/1200384588.db2.gz JIOOJBNGJCYGGL-UGUYLWEFSA-N 0 3 373.444 0.876 20 30 FCEDHN CCN1CCN(C[C@H](C)CNC(=O)NCCNc2ccc(C#N)cn2)CC1 ZINC000745529060 1200443774 /nfs/dbraw/zinc/44/37/74/1200443774.db2.gz LXMQNIVJPQPCTI-MRXNPFEDSA-N 0 3 373.505 0.938 20 30 FCEDHN C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3[nH]cnc31)C2 ZINC001109704761 1200468475 /nfs/dbraw/zinc/46/84/75/1200468475.db2.gz BQKJTNLROTUSDY-VDERGJSUSA-N 0 3 355.442 0.301 20 30 FCEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3nnnn3CC1)C2 ZINC001109740450 1200497797 /nfs/dbraw/zinc/49/77/97/1200497797.db2.gz RNHYZDRLIMTRSX-WCVJEAGWSA-N 0 3 360.462 0.550 20 30 FCEDHN CCN(CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N(CC)CCC#N ZINC001109864718 1200574888 /nfs/dbraw/zinc/57/48/88/1200574888.db2.gz QIARPHTULHHYFD-IKGGRYGDSA-N 0 3 363.506 0.812 20 30 FCEDHN CCCCCCCN1C[C@@H](NC(=O)[C@@H](Cn2cccn2)N(C)C)[C@@H](O)C1 ZINC001219800137 1224620192 /nfs/dbraw/zinc/62/01/92/1224620192.db2.gz HXSHWOYDNPQFNA-KURKYZTESA-N 0 3 365.522 0.945 20 30 FCEDHN CN(C)[C@H](C(=O)N[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@@H]1O)C1CC1 ZINC001219804352 1224624890 /nfs/dbraw/zinc/62/48/90/1224624890.db2.gz TWELWSLVFMDZOJ-QYZOEREBSA-N 0 3 359.445 0.679 20 30 FCEDHN CC(C)[C@H](C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O)N1CCCC1 ZINC001090432399 1200697403 /nfs/dbraw/zinc/69/74/03/1200697403.db2.gz DDJKMPCGAKQAQX-BZUAXINKSA-N 0 3 358.446 0.134 20 30 FCEDHN N#Cc1cccnc1NCCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000787754845 1200901909 /nfs/dbraw/zinc/90/19/09/1200901909.db2.gz HMXJZBALDORPOB-OAHLLOKOSA-N 0 3 356.430 0.082 20 30 FCEDHN N#Cc1cccnc1NCCNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000787756471 1200903516 /nfs/dbraw/zinc/90/35/16/1200903516.db2.gz ZKKNVSUITQKRSL-HNNXBMFYSA-N 0 3 356.430 0.178 20 30 FCEDHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCCNc1ncccc1C#N ZINC000787757623 1200903561 /nfs/dbraw/zinc/90/35/61/1200903561.db2.gz VCBHEEQYXGFNRZ-MRXNPFEDSA-N 0 3 372.473 0.862 20 30 FCEDHN N#CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001086600527 1201151802 /nfs/dbraw/zinc/15/18/02/1201151802.db2.gz YUINYMMPNUCFJW-AWUNBKGKSA-N 0 3 366.465 0.957 20 30 FCEDHN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000792100447 1201173910 /nfs/dbraw/zinc/17/39/10/1201173910.db2.gz NKWUEFSDIPOOQS-DYVFJYSZSA-N 0 3 365.393 0.933 20 30 FCEDHN Cn1nccc1COCC(=O)C(C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000793278728 1201233470 /nfs/dbraw/zinc/23/34/70/1201233470.db2.gz GDYINMCIDCDIAM-OAHLLOKOSA-N 0 3 371.353 0.870 20 30 FCEDHN Cn1nccc1COCC(=O)C(C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000793278726 1201233841 /nfs/dbraw/zinc/23/38/41/1201233841.db2.gz GDYINMCIDCDIAM-HNNXBMFYSA-N 0 3 371.353 0.870 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)[C@H]2CCc3nncn3C2)[C@@H](n2ccnn2)C1 ZINC001129448846 1201310940 /nfs/dbraw/zinc/31/09/40/1201310940.db2.gz AZZAOYHTMRMUOX-XHSDSOJGSA-N 0 3 370.461 0.440 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)CCc2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001129470431 1201320527 /nfs/dbraw/zinc/32/05/27/1201320527.db2.gz IUOKKMXEIAUCII-SJORKVTESA-N 0 3 357.462 0.952 20 30 FCEDHN C=CCCOCC(=O)N[C@@H]1CN(CC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001129476636 1201322871 /nfs/dbraw/zinc/32/28/71/1201322871.db2.gz MCLJIXVBBICXKQ-SJORKVTESA-N 0 3 363.462 0.639 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)CCCCC(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129481506 1201323819 /nfs/dbraw/zinc/32/38/19/1201323819.db2.gz MHYSVRBQLWDTSG-CVEARBPZSA-N 0 3 362.478 0.892 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129503029 1201328898 /nfs/dbraw/zinc/32/88/98/1201328898.db2.gz JOHGPORLSCCHBJ-ILXRZTDVSA-N 0 3 361.450 0.129 20 30 FCEDHN C=CCOCC(=O)N1C[C@@H](NCCOCC2CCC2)[C@@H](n2ccnn2)C1 ZINC001129681781 1201370392 /nfs/dbraw/zinc/37/03/92/1201370392.db2.gz ZBSNUGRQGJHMKZ-SJORKVTESA-N 0 3 363.462 0.639 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)CC[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129724442 1201378743 /nfs/dbraw/zinc/37/87/43/1201378743.db2.gz VBZPLWCWIPQOOV-BBWFWOEESA-N 0 3 363.462 0.639 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)[C@H](C)n2cccc2)C[C@@H]1n1ccnn1 ZINC001129748250 1201388056 /nfs/dbraw/zinc/38/80/56/1201388056.db2.gz UEUJRWJYOOSCCL-BBWFWOEESA-N 0 3 358.446 0.885 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2nccc(C)n2)C[C@@H]1n1ccnn1 ZINC001129791396 1201390079 /nfs/dbraw/zinc/39/00/79/1201390079.db2.gz CCVFSVZANYBYSD-CABCVRRESA-N 0 3 357.418 0.234 20 30 FCEDHN C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCCO[C@H]1c1nccn1C ZINC001129802140 1201403759 /nfs/dbraw/zinc/40/37/59/1201403759.db2.gz APCCIOSIFVOMEX-RBSFLKMASA-N 0 3 363.462 0.284 20 30 FCEDHN C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@@H]1n1ccnn1 ZINC001129972997 1201459199 /nfs/dbraw/zinc/45/91/99/1201459199.db2.gz VWKVQJBUHKYLOP-KGLIPLIRSA-N 0 3 357.418 0.704 20 30 FCEDHN C=C[C@H](CC)CC(=O)N1C[C@@H](NCCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001129978068 1201460257 /nfs/dbraw/zinc/46/02/57/1201460257.db2.gz PLIGCUPHQJVIRW-OAGGEKHMSA-N 0 3 358.450 0.514 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2occc2CN(C)C)C[C@@H]1n1ccnn1 ZINC001129982290 1201461956 /nfs/dbraw/zinc/46/19/56/1201461956.db2.gz CTJKRQJDQYANMT-CVEARBPZSA-N 0 3 356.430 0.611 20 30 FCEDHN C=C1CC(C)(C(=O)N2C[C@@H](NCCOCCOC)[C@@H](n3ccnn3)C2)C1 ZINC001129997268 1201466039 /nfs/dbraw/zinc/46/60/39/1201466039.db2.gz GSXRUCDLEBVNBP-CVEARBPZSA-N 0 3 363.462 0.639 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)[C@H](CC(C)C)OC)C[C@@H]1n1ccnn1 ZINC001130000774 1201467374 /nfs/dbraw/zinc/46/73/74/1201467374.db2.gz NXSAGNMMQOFBDG-IKGGRYGDSA-N 0 3 365.478 0.883 20 30 FCEDHN C=CCCCC(=O)N1C[C@@H](NCCNC(=O)C2CC2)[C@@H](n2ccnn2)C1 ZINC001129986707 1201468208 /nfs/dbraw/zinc/46/82/08/1201468208.db2.gz JNRWCNOQAZQXEV-CVEARBPZSA-N 0 3 360.462 0.502 20 30 FCEDHN C=CCCCC(=O)N1C[C@@H](NCCN2CCCC2=O)[C@@H](n2ccnn2)C1 ZINC001129987071 1201469005 /nfs/dbraw/zinc/46/90/05/1201469005.db2.gz WQHIQFODICXYRM-CVEARBPZSA-N 0 3 360.462 0.598 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)CC1 ZINC000804893118 1201469043 /nfs/dbraw/zinc/46/90/43/1201469043.db2.gz MPJYTZVVISBYPF-UHFFFAOYSA-N 0 3 356.430 0.248 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CCCCN2CCOCC2)C[C@@H]1n1ccnn1 ZINC001130038181 1201482921 /nfs/dbraw/zinc/48/29/21/1201482921.db2.gz QJIVFAIAUWIZPO-SJORKVTESA-N 0 3 362.478 0.308 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cnn(CCCOC)c2)C[C@@H]1n1ccnn1 ZINC001130077414 1201495242 /nfs/dbraw/zinc/49/52/42/1201495242.db2.gz HPROGMZKWSEGAS-CVEARBPZSA-N 0 3 359.434 0.352 20 30 FCEDHN C#CCCN[C@@H]1CN(C(=O)C(=O)Nc2ccc(C)cc2)C[C@@H]1n1ccnn1 ZINC001130118749 1201509906 /nfs/dbraw/zinc/50/99/06/1201509906.db2.gz LWUUVKQHCAUHOK-SJORKVTESA-N 0 3 366.425 0.590 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnc(C)[nH]2)[n-]1 ZINC001130193405 1201531146 /nfs/dbraw/zinc/53/11/46/1201531146.db2.gz WHANHDAOBDLFML-JSGCOSHPSA-N 0 3 357.418 0.252 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)[n-]1 ZINC001130196140 1201532657 /nfs/dbraw/zinc/53/26/57/1201532657.db2.gz UFTYTCLVKRQHNY-CEEVZKBLSA-N 0 3 357.458 0.952 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccoc2CC)[n-]1 ZINC001130209597 1201542702 /nfs/dbraw/zinc/54/27/02/1201542702.db2.gz GUNOERMQRRHAFA-WFASDCNBSA-N 0 3 357.414 0.985 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2cnccc2C)[n-]1 ZINC001130216454 1201547987 /nfs/dbraw/zinc/54/79/87/1201547987.db2.gz XSLSASKAZGHHOO-HOTGVXAUSA-N 0 3 368.441 0.462 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccn(C)c2)[n-]1 ZINC001130202936 1201549500 /nfs/dbraw/zinc/54/95/00/1201549500.db2.gz OQRNMCHZWMYYBZ-GJZGRUSLSA-N 0 3 356.430 0.559 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@](C)(O)C2CC2)[n-]1 ZINC001130203017 1201549665 /nfs/dbraw/zinc/54/96/65/1201549665.db2.gz PNEOTPKQHVOUMU-SUNYJGFJSA-N 0 3 361.446 0.067 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)[n-]1 ZINC001130225091 1201553794 /nfs/dbraw/zinc/55/37/94/1201553794.db2.gz RWVOTQVICWDOSX-WNZSCWOMSA-N 0 3 373.457 0.331 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cn2nccc2C)[n-]1 ZINC001130242148 1201562738 /nfs/dbraw/zinc/56/27/38/1201562738.db2.gz IOUQCHHBQMBQRR-GJZGRUSLSA-N 0 3 371.445 0.111 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnn(C(C)C)c2)[n-]1 ZINC001130245981 1201564894 /nfs/dbraw/zinc/56/48/94/1201564894.db2.gz ANNSHDLARUYAOS-GJZGRUSLSA-N 0 3 371.445 0.607 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)NC(=O)CC)CC1 ZINC001130290610 1201578092 /nfs/dbraw/zinc/57/80/92/1201578092.db2.gz HBIWMTQXKJWEFF-JOQOYGCGSA-N 0 3 364.490 0.563 20 30 FCEDHN CCN(C)C(C)(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(CC#N)CC1 ZINC001130292844 1201578637 /nfs/dbraw/zinc/57/86/37/1201578637.db2.gz DTMYRAHYMFERCP-WBVHZDCISA-N 0 3 363.506 0.716 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2cncc3nc[nH]c32)C[C@H]1c1cn(C)cn1 ZINC001130596488 1202727955 /nfs/dbraw/zinc/72/79/55/1202727955.db2.gz DXFJKAQBKOFBHU-WMLDXEAASA-N 0 3 363.425 0.913 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cccnc3)n[n-]2)O1 ZINC001130744307 1202773204 /nfs/dbraw/zinc/77/32/04/1202773204.db2.gz DEEYLPGEKLYQLL-LSDHHAIUSA-N 0 3 354.414 0.963 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cccnc3)n2)O1 ZINC001130744307 1202773208 /nfs/dbraw/zinc/77/32/08/1202773208.db2.gz DEEYLPGEKLYQLL-LSDHHAIUSA-N 0 3 354.414 0.963 20 30 FCEDHN C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC)n[n-]2)O1 ZINC001130754983 1202773251 /nfs/dbraw/zinc/77/32/51/1202773251.db2.gz SCXDQGOHUKLHQR-FRRDWIJNSA-N 0 3 364.450 0.331 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3=COCCO3)n[n-]2)O1 ZINC001130753190 1202776735 /nfs/dbraw/zinc/77/67/35/1202776735.db2.gz VVCMCKUIFIPQHJ-QWHCGFSZSA-N 0 3 361.402 0.142 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)C3=COCCO3)n2)O1 ZINC001130753190 1202776737 /nfs/dbraw/zinc/77/67/37/1202776737.db2.gz VVCMCKUIFIPQHJ-QWHCGFSZSA-N 0 3 361.402 0.142 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3CCOCC3)n[n-]2)O1 ZINC001130754262 1202777175 /nfs/dbraw/zinc/77/71/75/1202777175.db2.gz BHRPTHQUJFCONH-LSDHHAIUSA-N 0 3 361.446 0.681 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)C3CCOCC3)n2)O1 ZINC001130754262 1202777179 /nfs/dbraw/zinc/77/71/79/1202777179.db2.gz BHRPTHQUJFCONH-LSDHHAIUSA-N 0 3 361.446 0.681 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCCOCC=C)n[n-]2)O1 ZINC001130777011 1202790859 /nfs/dbraw/zinc/79/08/59/1202790859.db2.gz RNTBDWYSHLGNLF-LSDHHAIUSA-N 0 3 361.446 0.847 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)CCCOCC=C)n2)O1 ZINC001130777011 1202790862 /nfs/dbraw/zinc/79/08/62/1202790862.db2.gz RNTBDWYSHLGNLF-LSDHHAIUSA-N 0 3 361.446 0.847 20 30 FCEDHN C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ncccc3[O-])n[nH]2)O1 ZINC001130778056 1202791518 /nfs/dbraw/zinc/79/15/18/1202791518.db2.gz COSFUMWROFCXSH-GXTWGEPZSA-N 0 3 370.413 0.668 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(F)cn3)n[n-]2)O1 ZINC001130778459 1202792374 /nfs/dbraw/zinc/79/23/74/1202792374.db2.gz ZCRUIBZGDUBTNO-GXTWGEPZSA-N 0 3 358.377 0.712 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3ccc(F)cn3)n2)O1 ZINC001130778459 1202792375 /nfs/dbraw/zinc/79/23/75/1202792375.db2.gz ZCRUIBZGDUBTNO-GXTWGEPZSA-N 0 3 358.377 0.712 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](OC)C3CC3)n[n-]2)O1 ZINC001130782942 1202793833 /nfs/dbraw/zinc/79/38/33/1202793833.db2.gz GWCLSXKMNHYQEA-SQWLQELKSA-N 0 3 361.446 0.679 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@H](OC)C3CC3)n2)O1 ZINC001130782942 1202793837 /nfs/dbraw/zinc/79/38/37/1202793837.db2.gz GWCLSXKMNHYQEA-SQWLQELKSA-N 0 3 361.446 0.679 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(OC)ccn3)n[n-]2)O1 ZINC001130793976 1202795438 /nfs/dbraw/zinc/79/54/38/1202795438.db2.gz FSMGVLKJEPFITR-DZGCQCFKSA-N 0 3 370.413 0.581 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cc(OC)ccn3)n2)O1 ZINC001130793976 1202795440 /nfs/dbraw/zinc/79/54/40/1202795440.db2.gz FSMGVLKJEPFITR-DZGCQCFKSA-N 0 3 370.413 0.581 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C)nnc3C)n[n-]2)O1 ZINC001130787282 1202797221 /nfs/dbraw/zinc/79/72/21/1202797221.db2.gz IVHCNEKIOWORET-DZGCQCFKSA-N 0 3 369.429 0.584 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cc(C)nnc3C)n2)O1 ZINC001130787282 1202797225 /nfs/dbraw/zinc/79/72/25/1202797225.db2.gz IVHCNEKIOWORET-DZGCQCFKSA-N 0 3 369.429 0.584 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnc(C)n3C)n[n-]2)O1 ZINC001130804579 1202800919 /nfs/dbraw/zinc/80/09/19/1202800919.db2.gz MCTVHVBXYIFDDZ-DZGCQCFKSA-N 0 3 371.445 0.610 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)n[n-]2)O1 ZINC001130807215 1202801593 /nfs/dbraw/zinc/80/15/93/1202801593.db2.gz UFZUTVPQCFILHP-QKGCVVFFSA-N 0 3 359.430 0.431 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)n2)O1 ZINC001130807215 1202801597 /nfs/dbraw/zinc/80/15/97/1202801597.db2.gz UFZUTVPQCFILHP-QKGCVVFFSA-N 0 3 359.430 0.431 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cn3ccc(C)n3)n[n-]2)O1 ZINC001130809440 1202802120 /nfs/dbraw/zinc/80/21/20/1202802120.db2.gz YMVCBNFSRHHTDJ-UONOGXRCSA-N 0 3 357.418 0.069 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)Cn3ccc(C)n3)n2)O1 ZINC001130809440 1202802122 /nfs/dbraw/zinc/80/21/22/1202802122.db2.gz YMVCBNFSRHHTDJ-UONOGXRCSA-N 0 3 357.418 0.069 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccn(C(C)C)n3)n[n-]2)O1 ZINC001130809289 1202802172 /nfs/dbraw/zinc/80/21/72/1202802172.db2.gz PWVCADZYYWULQF-DZGCQCFKSA-N 0 3 371.445 0.955 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3ccn(C(C)C)n3)n2)O1 ZINC001130809289 1202802175 /nfs/dbraw/zinc/80/21/75/1202802175.db2.gz PWVCADZYYWULQF-DZGCQCFKSA-N 0 3 371.445 0.955 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3[nH]c(C)nc3C)n[n-]2)O1 ZINC001130809204 1202802204 /nfs/dbraw/zinc/80/22/04/1202802204.db2.gz MDBRHDKCDDMWKK-UONOGXRCSA-N 0 3 371.445 0.908 20 30 FCEDHN C=CCO[C@H](C)C(=O)NCc1n[n-]c([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n1 ZINC001130823313 1202804264 /nfs/dbraw/zinc/80/42/64/1202804264.db2.gz PTAXPIIXFZPIPM-QLFBSQMISA-N 0 3 361.446 0.845 20 30 FCEDHN C=CCO[C@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n[n-]1 ZINC001130823313 1202804265 /nfs/dbraw/zinc/80/42/65/1202804265.db2.gz PTAXPIIXFZPIPM-QLFBSQMISA-N 0 3 361.446 0.845 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccnc(C)c3)n[n-]2)O1 ZINC001130811668 1202804469 /nfs/dbraw/zinc/80/44/69/1202804469.db2.gz DAHJXQAXQPXAJS-LSDHHAIUSA-N 0 3 354.414 0.881 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3ccnc(C)c3)n2)O1 ZINC001130811668 1202804471 /nfs/dbraw/zinc/80/44/71/1202804471.db2.gz DAHJXQAXQPXAJS-LSDHHAIUSA-N 0 3 354.414 0.881 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@H](C)n3cccn3)n[n-]2)O1 ZINC001130816003 1202806916 /nfs/dbraw/zinc/80/69/16/1202806916.db2.gz JKGVIWBWKJFHOK-SOUVJXGZSA-N 0 3 371.445 0.712 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)C[C@H](C)n3cccn3)n2)O1 ZINC001130816003 1202806917 /nfs/dbraw/zinc/80/69/17/1202806917.db2.gz JKGVIWBWKJFHOK-SOUVJXGZSA-N 0 3 371.445 0.712 20 30 FCEDHN CCCC[C@@H](N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cncn1C)C(N)=O ZINC001130985709 1202839695 /nfs/dbraw/zinc/83/96/95/1202839695.db2.gz MEWGFQOJHKDPQF-BRWVUGGUSA-N 0 3 371.485 0.762 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)Cc2cnn(C)c2C)C[C@H]1c1cncn1C ZINC001131006316 1202841535 /nfs/dbraw/zinc/84/15/35/1202841535.db2.gz YHBADKBUUFMVBM-IAGOWNOFSA-N 0 3 354.458 0.612 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2cn(C)nc2COC)C[C@H]1c1cncn1C ZINC001131017613 1202843389 /nfs/dbraw/zinc/84/33/89/1202843389.db2.gz CSMJEZALTFAORY-GDBMZVCRSA-N 0 3 370.457 0.521 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2cn(C)nc2OC)C[C@H]1c1cncn1C ZINC001131040002 1202850005 /nfs/dbraw/zinc/85/00/05/1202850005.db2.gz GREQYECDVFXPJR-UKRRQHHQSA-N 0 3 356.430 0.383 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2c(C)nn(C)c2C)C[C@H]1c1cncn1C ZINC001131040513 1202850036 /nfs/dbraw/zinc/85/00/36/1202850036.db2.gz XPFYVTRYRALBPK-HZPDHXFCSA-N 0 3 354.458 0.992 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)CCCn2ccnc2C)C[C@H]1c1cncn1C ZINC001131089392 1202861090 /nfs/dbraw/zinc/86/10/90/1202861090.db2.gz FCWITZMGMBLZQB-IAGOWNOFSA-N 0 3 354.458 0.923 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)CNC(=O)[C@@H](C)CC)C[C@H]1c1cncn1C ZINC001131125962 1202866756 /nfs/dbraw/zinc/86/67/56/1202866756.db2.gz PRLYMKXLKPOKOR-ARFHVFGLSA-N 0 3 359.474 0.490 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H](CCCC)NC(N)=O)C[C@H]1c1cncn1C ZINC001131132760 1202869846 /nfs/dbraw/zinc/86/98/46/1202869846.db2.gz PUNQRKXLOXMGIM-RBSFLKMASA-N 0 3 360.462 0.164 20 30 FCEDHN C=CCCCN1CCNC(=O)CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001131367635 1202889438 /nfs/dbraw/zinc/88/94/38/1202889438.db2.gz WRLLJXPOJDDEOG-IAGOWNOFSA-N 0 3 366.506 0.322 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C)COC)CC1 ZINC001131445301 1202899175 /nfs/dbraw/zinc/89/91/75/1202899175.db2.gz RADIRDCTYHOYHF-LESCRADOSA-N 0 3 367.490 0.557 20 30 FCEDHN C[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2NCC(=O)NCC#N)CC1)C1CC1 ZINC001131464273 1202899901 /nfs/dbraw/zinc/89/99/01/1202899901.db2.gz KKUBJUHNUNWKJZ-XCRHUMRWSA-N 0 3 362.474 0.658 20 30 FCEDHN C#C[C@@H](NC(=O)C(=O)N(CCc1ccccc1)CCN(C)C)[C@H]1CCCO1 ZINC000809309864 1202924829 /nfs/dbraw/zinc/92/48/29/1202924829.db2.gz HLBFDVNUVJZUCV-RTBURBONSA-N 0 3 371.481 0.916 20 30 FCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(N2CCOC2=O)c1C ZINC000815861740 1203055546 /nfs/dbraw/zinc/05/55/46/1203055546.db2.gz XJYKWIXCWTWILY-UHFFFAOYSA-N 0 3 372.425 0.961 20 30 FCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccn(-c2ncccc2F)n1 ZINC000815860951 1203055581 /nfs/dbraw/zinc/05/55/81/1203055581.db2.gz JSJHSCIFXQJLAH-UHFFFAOYSA-N 0 3 358.377 0.416 20 30 FCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(N2CCNC2=O)c1C ZINC000815860401 1203055592 /nfs/dbraw/zinc/05/55/92/1203055592.db2.gz JRLBQYGGYRHQBJ-UHFFFAOYSA-N 0 3 371.441 0.534 20 30 FCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000815860639 1203055661 /nfs/dbraw/zinc/05/56/61/1203055661.db2.gz UXKHOYOVXSCALM-UHFFFAOYSA-N 0 3 358.398 0.653 20 30 FCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2C ZINC000815861261 1203055947 /nfs/dbraw/zinc/05/59/47/1203055947.db2.gz ZBRXUJZHFFECQG-UHFFFAOYSA-N 0 3 356.426 0.605 20 30 FCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(F)c(-n2nnnc2C)c1 ZINC000815860404 1203055996 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ZINC001223903618 1225744893 /nfs/dbraw/zinc/74/48/93/1225744893.db2.gz GXZWJJVASSCHAH-RKVPGOIHSA-N 0 3 357.458 0.482 20 30 FCEDHN C[C@@H]1CCN(CC(=O)N2CCO[C@@H]3CN(c4nccnc4C#N)C[C@@H]32)C1 ZINC001043790217 1217744148 /nfs/dbraw/zinc/74/41/48/1217744148.db2.gz DGHLKEGKQLPFBI-VNQPRFMTSA-N 0 3 356.430 0.106 20 30 FCEDHN C[C@H]1CCCN1CC(=O)N1CCO[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 ZINC001043792062 1217745170 /nfs/dbraw/zinc/74/51/70/1217745170.db2.gz YUNYBTPSZLGNDJ-SOUVJXGZSA-N 0 3 356.430 0.249 20 30 FCEDHN CN(CC(=O)N1CCO[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]21)C1CCC1 ZINC001043812545 1217752239 /nfs/dbraw/zinc/75/22/39/1217752239.db2.gz NAOWAXRAFWWXRP-ZWKOTPCHSA-N 0 3 355.442 0.854 20 30 FCEDHN CN(C)Cc1cccc(C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]2O)c1 ZINC001043989418 1217787515 /nfs/dbraw/zinc/78/75/15/1217787515.db2.gz SQKCVXLSNXMHNR-SJORKVTESA-N 0 3 366.425 0.389 20 30 FCEDHN CN(C)Cc1ccccc1C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O ZINC001043991630 1217787782 /nfs/dbraw/zinc/78/77/82/1217787782.db2.gz CVBTXGGBEUAQGO-MSOLQXFVSA-N 0 3 365.437 0.994 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(c3cc(C)ncc3C#N)C[C@@H]2O)CC1 ZINC001043989172 1217787887 /nfs/dbraw/zinc/78/78/87/1217787887.db2.gz NYONIKHMODLJQV-MJGOQNOKSA-N 0 3 367.453 0.273 20 30 FCEDHN C[C@@H](C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O)N1CCCCCC1 ZINC001044197903 1217816558 /nfs/dbraw/zinc/81/65/58/1217816558.db2.gz DYBOJONYJGEDBP-LESCRADOSA-N 0 3 357.458 0.883 20 30 FCEDHN C[C@H](C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1O)N1CCCCCC1 ZINC001044198536 1217816771 /nfs/dbraw/zinc/81/67/71/1217816771.db2.gz SCJYSWPLIXUODL-OIISXLGYSA-N 0 3 357.458 0.883 20 30 FCEDHN Cc1nc(N2C[C@@H](NC(=O)[C@H](C3CC3)N3CCCC3)[C@@H](O)C2)ccc1C#N ZINC001044333489 1217835974 /nfs/dbraw/zinc/83/59/74/1217835974.db2.gz JIHRHLDLGUANFQ-AOIWGVFYSA-N 0 3 369.469 0.802 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CCN(CCN2C(=O)CCC2=O)CC1 ZINC001045563272 1217941749 /nfs/dbraw/zinc/94/17/49/1217941749.db2.gz DOWZXNVMLSXYED-CABCVRRESA-N 0 3 363.458 0.697 20 30 FCEDHN CCO[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1CNc1ccncc1C#N ZINC001047873862 1218193206 /nfs/dbraw/zinc/19/32/06/1218193206.db2.gz RRHHYRWHPLFJSY-KBAYOESNSA-N 0 3 359.474 0.991 20 30 FCEDHN CCO[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1CNc1ccncc1C#N ZINC001047938603 1218203987 /nfs/dbraw/zinc/20/39/87/1218203987.db2.gz JTAFRPZIBJYIFU-SZVBFZGTSA-N 0 3 371.485 0.992 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnc(C)[nH]1 ZINC001225336988 1225807606 /nfs/dbraw/zinc/80/76/06/1225807606.db2.gz OBVGSEJCTGLSJQ-CHWSQXEVSA-N 0 3 362.434 0.361 20 30 FCEDHN C[C@@H]1CCN(CC(=O)N2C[C@H]3CCN(c4ccc(C#N)nn4)C[C@H]3C2)C1 ZINC001049684472 1218519977 /nfs/dbraw/zinc/51/99/77/1218519977.db2.gz DWFCAIRVVHCTHA-OAGGEKHMSA-N 0 3 354.458 0.975 20 30 FCEDHN C#CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N[C@H](C)C(C)C ZINC001225779161 1225822869 /nfs/dbraw/zinc/82/28/69/1225822869.db2.gz KGBNOTMLQKLFOZ-BZUAXINKSA-N 0 3 364.490 0.304 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)Nc1cnccn1 ZINC001225947618 1225829700 /nfs/dbraw/zinc/82/97/00/1225829700.db2.gz ZANNSBPCGFIIEV-HBUWYVDXSA-N 0 3 361.446 0.759 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2nc(C)no2)CC1 ZINC001096608293 1218575348 /nfs/dbraw/zinc/57/53/48/1218575348.db2.gz USUURSFZAMEEOL-IKGGRYGDSA-N 0 3 357.458 0.945 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@@H]2CCN(CC)C2=O)CC1 ZINC001096608489 1218576873 /nfs/dbraw/zinc/57/68/73/1218576873.db2.gz XTGSUSMZCGMGTF-YDZRNGNQSA-N 0 3 372.513 0.674 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@H]2CCCNC2=O)CC1 ZINC001096607712 1218576976 /nfs/dbraw/zinc/57/69/76/1218576976.db2.gz IVMKYZINYJGERI-OWSLCNJRSA-N 0 3 358.486 0.332 20 30 FCEDHN C=CCN1CC[C@@H](N2CCC3(CN(C(=O)[C@]45C[C@H]4COC5)C3)CC2)C1=O ZINC001050526226 1218648629 /nfs/dbraw/zinc/64/86/29/1218648629.db2.gz ZXIWDAGYNSXCEG-YRNRMSPPSA-N 0 3 359.470 0.734 20 30 FCEDHN Cn1ccc(N2CC[C@@H](N[C@@H]3CCCC[C@H]3NC(=O)C#CC3CC3)C2=O)n1 ZINC001226126150 1225834044 /nfs/dbraw/zinc/83/40/44/1225834044.db2.gz GMSIFYSIXGFECF-BRWVUGGUSA-N 0 3 369.469 0.956 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cccc2c1OCCO2 ZINC001226605014 1225848727 /nfs/dbraw/zinc/84/87/27/1225848727.db2.gz CNJYYULJWZNMRA-HZPDHXFCSA-N 0 3 371.437 0.838 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCn1ccccc1=O ZINC001226614453 1225848920 /nfs/dbraw/zinc/84/89/20/1225848920.db2.gz PCDUKESNYYKAPF-HZPDHXFCSA-N 0 3 360.458 0.558 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1nc(C)c(C)[nH]c1=O ZINC001227005147 1225860647 /nfs/dbraw/zinc/86/06/47/1225860647.db2.gz LIAKZPDNMSVTFW-ZIAGYGMSSA-N 0 3 361.446 0.320 20 30 FCEDHN C=CC[C@H](NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccncc1 ZINC000804060484 1219116373 /nfs/dbraw/zinc/11/63/73/1219116373.db2.gz SEUGPACJULJIEN-BBWFWOEESA-N 0 3 358.442 0.794 20 30 FCEDHN Cc1cc(=O)oc(C)c1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N ZINC001227389767 1225872357 /nfs/dbraw/zinc/87/23/57/1225872357.db2.gz OQPOPIDYDYHIID-ZIAGYGMSSA-N 0 3 360.414 0.527 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](n2ccnn2)C1 ZINC001070064606 1219128655 /nfs/dbraw/zinc/12/86/55/1219128655.db2.gz ZIUCJTYRLCPNBI-CABCVRRESA-N 0 3 357.418 0.327 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cncc2[nH]ccc21 ZINC001227282002 1225869801 /nfs/dbraw/zinc/86/98/01/1225869801.db2.gz QMAIUZPQPOGGBI-HUUCEWRRSA-N 0 3 354.414 0.833 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H]2CCN(C(C)=O)C2)[C@@H](n2ccnn2)C1 ZINC001070085900 1219156379 /nfs/dbraw/zinc/15/63/79/1219156379.db2.gz YBNHTGVFQIXAMT-ZACQAIPSSA-N 0 3 360.462 0.454 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cc2c(CC)nn(C)c2CC)C[C@@H]1n1ccnn1 ZINC001070211470 1219296007 /nfs/dbraw/zinc/29/60/07/1219296007.db2.gz JCNAOYGPRRQVOA-AEFFLSMTSA-N 0 3 371.489 0.907 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)Cn2cnc3c2CCCC3)C[C@@H]1n1ccnn1 ZINC001070234905 1219311090 /nfs/dbraw/zinc/31/10/90/1219311090.db2.gz NIMWNWJGNUNANU-WBVHZDCISA-N 0 3 353.430 0.028 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cn(C)nc2[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001070242595 1219313447 /nfs/dbraw/zinc/31/34/47/1219313447.db2.gz JHKCMODRLPXJMA-IMJJTQAJSA-N 0 3 371.445 0.357 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2CCCc3nn(C)cc32)C[C@@H]1n1ccnn1 ZINC001070259174 1219328748 /nfs/dbraw/zinc/32/87/48/1219328748.db2.gz ANAGESDKACXRGX-XYPHTWIQSA-N 0 3 355.446 0.659 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cnn(-c3nccs3)c2)C[C@@H]1n1ccnn1 ZINC001070309212 1219366988 /nfs/dbraw/zinc/36/69/88/1219366988.db2.gz WJTWBQSRVLGWOH-KGLIPLIRSA-N 0 3 370.442 0.762 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cccc(C(=O)N(C)C)c2)C[C@@H]1n1ccnn1 ZINC001070312557 1219369589 /nfs/dbraw/zinc/36/95/89/1219369589.db2.gz XTYHVTSERLPUDQ-SJORKVTESA-N 0 3 368.441 0.821 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc(NC(N)=O)cc2)C[C@@H]1n1ccnn1 ZINC001070322287 1219374407 /nfs/dbraw/zinc/37/44/07/1219374407.db2.gz YBCNECMEQMSLEC-CABCVRRESA-N 0 3 355.402 0.610 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](C(C)C)N2CCCC2=O)C[C@@H]1n1ccnn1 ZINC001070336950 1219385048 /nfs/dbraw/zinc/38/50/48/1219385048.db2.gz CVUZDKLKTRADBL-HLLBOEOZSA-N 0 3 360.462 0.453 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cn2cc(C)cn2)CC1 ZINC001070365096 1219397334 /nfs/dbraw/zinc/39/73/34/1219397334.db2.gz HWTCUGAPPDOIDV-APWZRJJASA-N 0 3 359.474 0.853 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnc2c(c1)ncn2C ZINC001227892994 1225889756 /nfs/dbraw/zinc/88/97/56/1225889756.db2.gz CIFQIEXRCZMYHS-HUUCEWRRSA-N 0 3 370.457 0.901 20 30 FCEDHN Cc1ccn([C@@H](C)CC(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)n1 ZINC001227925907 1225890862 /nfs/dbraw/zinc/89/08/62/1225890862.db2.gz ULOAOQIMLZNBKI-ARFHVFGLSA-N 0 3 360.462 0.799 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc3n[nH]nc3n2)C[C@H]1c1cn(C)cn1 ZINC001070499254 1219440567 /nfs/dbraw/zinc/44/05/67/1219440567.db2.gz JWYKVRKQAHCFHW-XHDPSFHLSA-N 0 3 352.402 0.470 20 30 FCEDHN C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N[C@@H](C)C(=O)N(C)C ZINC001227967817 1225892266 /nfs/dbraw/zinc/89/22/66/1225892266.db2.gz VEVGQGUDOQKWEE-RRFJBIMHSA-N 0 3 366.506 0.809 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cn(C)c(C)cc2=O)C[C@H]1c1cn(C)cn1 ZINC001070504052 1219442745 /nfs/dbraw/zinc/44/27/45/1219442745.db2.gz ZQFNOZIAJIAWRD-WMLDXEAASA-N 0 3 355.442 0.811 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cn3c(n2)COCC3)C[C@H]1c1cn(C)cn1 ZINC001070506045 1219443826 /nfs/dbraw/zinc/44/38/26/1219443826.db2.gz VKSQBFKHXLKXAM-DZGCQCFKSA-N 0 3 356.430 0.531 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cn3cccnc3n2)C[C@H]1c1cn(C)cn1 ZINC001070507722 1219444995 /nfs/dbraw/zinc/44/49/95/1219444995.db2.gz LLWSRMWTKNYSJV-DZGCQCFKSA-N 0 3 351.414 0.847 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2nnn(CC)c2CC)C[C@H]1c1cn(C)cn1 ZINC001070533601 1219457516 /nfs/dbraw/zinc/45/75/16/1219457516.db2.gz GRNGCCIMDPJCAL-DZGCQCFKSA-N 0 3 357.462 0.978 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc(=O)n(CCC)n2)C[C@H]1c1cn(C)cn1 ZINC001070561575 1219470181 /nfs/dbraw/zinc/47/01/81/1219470181.db2.gz AULGLLBPVGYDOL-WMLDXEAASA-N 0 3 370.457 0.771 20 30 FCEDHN 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FCEDHN C=CCn1cc(CNC(=O)C(=O)N(CCN(C)C)Cc2ccco2)nn1 ZINC001325986186 1265038571 /nfs/dbraw/zinc/03/85/71/1265038571.db2.gz HGVFFHJNKLJOCK-UHFFFAOYSA-N 0 3 360.418 0.264 20 30 FCEDHN C=CCn1cc(CNC(=O)C(=O)Nc2ccc3c(c2)CNCCO3)nn1 ZINC001326142083 1265065382 /nfs/dbraw/zinc/06/53/82/1265065382.db2.gz LULXILVGYLKMBB-UHFFFAOYSA-N 0 3 356.386 0.201 20 30 FCEDHN C=CCn1c(C[C@@H](C)O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001338821934 1268102030 /nfs/dbraw/zinc/10/20/30/1268102030.db2.gz OYLYXPVNRRPPCP-CABCVRRESA-N 0 3 362.478 0.130 20 30 FCEDHN C=CCn1c(Cc2cnn(C)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001339710804 1268307218 /nfs/dbraw/zinc/30/72/18/1268307218.db2.gz UHUMVIJQTWDTAT-INIZCTEOSA-N 0 3 371.489 0.947 20 30 FCEDHN C=CCn1c([C@@H]2CC=NO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001340416037 1268540356 /nfs/dbraw/zinc/54/03/56/1268540356.db2.gz UJLGRYGJIPCUBI-HNNXBMFYSA-N 0 3 373.461 0.656 20 30 FCEDHN C=CCn1c(-c2ncc[nH]2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001340526285 1268576855 /nfs/dbraw/zinc/57/68/55/1268576855.db2.gz HAUJXZBQIIPCSR-CQSZACIVSA-N 0 3 370.461 0.597 20 30 FCEDHN C=CCn1c(N2CCN(C[C@H]3CCOC3)CC2)nnc1[C@@]1(O)CCOC1 ZINC001340770536 1268650274 /nfs/dbraw/zinc/65/02/74/1268650274.db2.gz CPHJCMTUAKDZHD-CRAIPNDOSA-N 0 3 363.462 0.231 20 30 FCEDHN C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001341317011 1268935235 /nfs/dbraw/zinc/93/52/35/1268935235.db2.gz XHPKBCDZPHPESL-MRXNPFEDSA-N 0 3 374.489 0.616 20 30 FCEDHN C=C[C@@H](COC)NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001341461777 1269013045 /nfs/dbraw/zinc/01/30/45/1269013045.db2.gz YUNHMKMNZTWIMH-DOTOQJQBSA-N 0 3 362.474 0.789 20 30 FCEDHN C=C(C)Cn1c([C@H](C)O)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001342094815 1269343483 /nfs/dbraw/zinc/34/34/83/1269343483.db2.gz CZGHCWWWGMSADH-HNNXBMFYSA-N 0 3 362.478 0.652 20 30 FCEDHN C=C(C)Cn1c(C2CCN(CCO)CC2)nnc1N1CCN(C)C(=O)C1 ZINC001342120958 1269358316 /nfs/dbraw/zinc/35/83/16/1269358316.db2.gz GXCRVJVQKXZLPE-UHFFFAOYSA-N 0 3 362.478 0.304 20 30 FCEDHN C=C(C)Cn1c(C2=NO[C@H](CO)C2)nnc1N1CCN(CCOC)CC1 ZINC001343749346 1269998716 /nfs/dbraw/zinc/99/87/16/1269998716.db2.gz UCLRUMWVRFERKW-AWEZNQCLSA-N 0 3 364.450 0.108 20 30 FCEDHN Cn1ncc2c1nc(CCC(=O)C(C#N)C(=O)NC1CCCC1)[nH]c2=O ZINC001343983157 1270067125 /nfs/dbraw/zinc/06/71/25/1270067125.db2.gz QBKKWFGLHNOZJW-NSHDSACASA-N 0 3 356.386 0.769 20 30 FCEDHN C=C(C)Cn1c(C2CCC2)nnc1N1C[C@@H]2[C@@H](N)CS(=O)(=O)[C@H]2C1 ZINC001574845497 1271593333 /nfs/dbraw/zinc/59/33/33/1271593333.db2.gz YQEGZTFPEFJOAO-RDBSUJKOSA-N 0 3 351.476 0.682 20 30 FCEDHN C#CCCCC(=O)N1CCCC[C@@H]1CN(C)[C@@H](C)C(=O)NCc1c[nH]nn1 ZINC001574850130 1271599785 /nfs/dbraw/zinc/59/97/85/1271599785.db2.gz NHHIYSSMHLMQNG-DOTOQJQBSA-N 0 3 374.489 0.926 20 30 FCEDHN C#CCN1CCC(N(Cc2c[nH]nn2)C(=O)c2coc(C(N)=O)c2)CC1 ZINC001574986271 1271688264 /nfs/dbraw/zinc/68/82/64/1271688264.db2.gz YFFICJMVVDUZQW-UHFFFAOYSA-N 0 3 356.386 0.237 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2ccc(-c3c[nH]nn3)cc2)C1 ZINC001575004602 1271690546 /nfs/dbraw/zinc/69/05/46/1271690546.db2.gz GRVMRKZQUKYBLZ-XJKSGUPXSA-N 0 3 366.425 0.414 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@@H]1Cc2ccccc2CN1CCc1c[nH]nn1 ZINC001575013751 1271694235 /nfs/dbraw/zinc/69/42/35/1271694235.db2.gz SZUMUIDXDOATJD-BEFAXECRSA-N 0 3 367.453 0.929 20 30 FCEDHN C=C(Br)CN[C@H]1C[C@H](NC(=O)CCOCc2cn[nH]n2)C1 ZINC001575032332 1271698864 /nfs/dbraw/zinc/69/88/64/1271698864.db2.gz AEKPMECZSHPTII-XYPYZODXSA-N 0 3 358.240 0.857 20 30 FCEDHN C[C@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)N1CCNCC1=O ZINC001575047418 1271700291 /nfs/dbraw/zinc/70/02/91/1271700291.db2.gz AIULDNZHKQXOBO-OAHLLOKOSA-N 0 3 357.458 0.269 20 30 FCEDHN C[C@@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)N1CCNCC1=O ZINC001575047417 1271700944 /nfs/dbraw/zinc/70/09/44/1271700944.db2.gz AIULDNZHKQXOBO-HNNXBMFYSA-N 0 3 357.458 0.269 20 30 FCEDHN C=CCCC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1CC(=O)NCc1c[nH]nn1 ZINC001575085517 1271715321 /nfs/dbraw/zinc/71/53/21/1271715321.db2.gz LENRTUSVUVZHSQ-LLLHUVSDSA-N 0 3 372.473 0.556 20 30 FCEDHN C=CCCN1CCC(N(Cc2cn[nH]n2)C(=O)[C@H](C)S(C)(=O)=O)CC1 ZINC001575097782 1271715994 /nfs/dbraw/zinc/71/59/94/1271715994.db2.gz QPZDKZJUGSDRLW-ZDUSSCGKSA-N 0 3 369.491 0.607 20 30 FCEDHN C=CCN1CC[C@H](N2CCC[C@H]2CNC(=O)CCCc2cn[nH]n2)C1=O ZINC001575103418 1271719713 /nfs/dbraw/zinc/71/97/13/1271719713.db2.gz BSECRUJLULSMCZ-HOTGVXAUSA-N 0 3 360.462 0.495 20 30 FCEDHN C=CCN1CC[C@H](N2CCC[C@H]2CNC(=O)CCCc2c[nH]nn2)C1=O ZINC001575103418 1271719718 /nfs/dbraw/zinc/71/97/18/1271719718.db2.gz BSECRUJLULSMCZ-HOTGVXAUSA-N 0 3 360.462 0.495 20 30 FCEDHN C=CCNC(=O)CN1CCC[C@H]([C@H](C)NC(=O)CCCc2cn[nH]n2)C1 ZINC001575104296 1271721852 /nfs/dbraw/zinc/72/18/52/1271721852.db2.gz OYELEZRDZTXOOB-GJZGRUSLSA-N 0 3 362.478 0.646 20 30 FCEDHN C=CCNC(=O)CN1CCC[C@H]([C@H](C)NC(=O)CCCc2c[nH]nn2)C1 ZINC001575104296 1271721858 /nfs/dbraw/zinc/72/18/58/1271721858.db2.gz OYELEZRDZTXOOB-GJZGRUSLSA-N 0 3 362.478 0.646 20 30 FCEDHN C=CCn1cc(C(=O)N2CC3(C2)CCCN(CCc2cn[nH]n2)C3)nn1 ZINC001575111273 1271724523 /nfs/dbraw/zinc/72/45/23/1271724523.db2.gz BJWAHNBACPVQEK-UHFFFAOYSA-N 0 3 356.434 0.363 20 30 FCEDHN CC#CCCCC(=O)N1CC[C@@H](N(C)[C@H](C)C(=O)NCc2c[nH]nn2)C1 ZINC001575117590 1271731975 /nfs/dbraw/zinc/73/19/75/1271731975.db2.gz OZUGJKYDLBOTBL-GDBMZVCRSA-N 0 3 360.462 0.536 20 30 FCEDHN CC(C)(C)OC(=O)NC1CCN(CC(=O)N[C@@H]2CNC[C@@H]2C#N)CC1 ZINC001575215939 1271794091 /nfs/dbraw/zinc/79/40/91/1271794091.db2.gz MRWHVKHNGVNENF-GXTWGEPZSA-N 0 3 351.451 0.203 20 30 FCEDHN CC(C)C#CC(=O)N[C@H](C)C1CCN([C@@H](C)C(=O)NCc2c[nH]nn2)CC1 ZINC001575318426 1271917813 /nfs/dbraw/zinc/91/78/13/1271917813.db2.gz JLCKHAOXNQXCSJ-CABCVRRESA-N 0 3 374.489 0.686 20 30 FCEDHN CC(C)C#CC(=O)N[C@H](C)C1CCN([C@H](C)C(=O)NCc2c[nH]nn2)CC1 ZINC001575318430 1271919933 /nfs/dbraw/zinc/91/99/33/1271919933.db2.gz JLCKHAOXNQXCSJ-HUUCEWRRSA-N 0 3 374.489 0.686 20 30 FCEDHN COCC#CCN1CCC(N(Cc2c[nH]nn2)C(=O)[C@@H](C)COC)CC1 ZINC001576952715 1273973577 /nfs/dbraw/zinc/97/35/77/1273973577.db2.gz JUGGRIQFVOGIRR-HNNXBMFYSA-N 0 3 363.462 0.530 20 30 FCEDHN N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCCCC2)CCO1 ZINC001712884217 1287252429 /nfs/dbraw/zinc/25/24/29/1287252429.db2.gz IMHMBELRJAVRSJ-CABCVRRESA-N 0 3 373.461 0.444 20 30 FCEDHN N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCCCC2)CCO1 ZINC001712884219 1287252435 /nfs/dbraw/zinc/25/24/35/1287252435.db2.gz IMHMBELRJAVRSJ-HUUCEWRRSA-N 0 3 373.461 0.444 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CNCC(=O)NC(=O)NCC ZINC001717358906 1287420291 /nfs/dbraw/zinc/42/02/91/1287420291.db2.gz XQFDASJSOXSWEU-ZNMIVQPWSA-N 0 3 366.462 0.394 20 30 FCEDHN N#CC1(C[C@@H](O)C[N@@H+]2CC[C@H](Oc3ccc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001581856947 1280609434 /nfs/dbraw/zinc/60/94/34/1280609434.db2.gz KLAUHHLAFVNFTG-KGLIPLIRSA-N 0 3 355.402 0.770 20 30 FCEDHN N#CC1(C[C@@H](O)C[N@H+]2CC[C@H](Oc3ccc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001581856947 1280609436 /nfs/dbraw/zinc/60/94/36/1280609436.db2.gz KLAUHHLAFVNFTG-KGLIPLIRSA-N 0 3 355.402 0.770 20 30 FCEDHN C#C[C@H]([NH2+]C[C@H](O)COc1ccccc1-c1nnn[n-]1)C1CCOCC1 ZINC001588328565 1282422233 /nfs/dbraw/zinc/42/22/33/1282422233.db2.gz KPNONDGZIUIXQI-HOCLYGCPSA-N 0 3 357.414 0.624 20 30 FCEDHN C#C[C@H]([NH2+]C[C@H](O)COc1ccccc1-c1nn[n-]n1)C1CCOCC1 ZINC001588328565 1282422239 /nfs/dbraw/zinc/42/22/39/1282422239.db2.gz KPNONDGZIUIXQI-HOCLYGCPSA-N 0 3 357.414 0.624 20 30 FCEDHN C#CCCCC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588340422 1282437015 /nfs/dbraw/zinc/43/70/15/1282437015.db2.gz PETVVQVQKNGDMB-LJQANCHMSA-N 0 3 368.441 0.723 20 30 FCEDHN C#CCCCC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588340422 1282437021 /nfs/dbraw/zinc/43/70/21/1282437021.db2.gz PETVVQVQKNGDMB-LJQANCHMSA-N 0 3 368.441 0.723 20 30 FCEDHN C#CCCCC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001588340422 1282437026 /nfs/dbraw/zinc/43/70/26/1282437026.db2.gz PETVVQVQKNGDMB-LJQANCHMSA-N 0 3 368.441 0.723 20 30 FCEDHN C#CCCCC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001588340422 1282437031 /nfs/dbraw/zinc/43/70/31/1282437031.db2.gz PETVVQVQKNGDMB-LJQANCHMSA-N 0 3 368.441 0.723 20 30 FCEDHN C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001588349213 1282442374 /nfs/dbraw/zinc/44/23/74/1282442374.db2.gz IFYQLSAPVILFLW-KRWDZBQOSA-N 0 3 367.457 0.907 20 30 FCEDHN C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001588349213 1282442378 /nfs/dbraw/zinc/44/23/78/1282442378.db2.gz IFYQLSAPVILFLW-KRWDZBQOSA-N 0 3 367.457 0.907 20 30 FCEDHN C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001588349719 1282445300 /nfs/dbraw/zinc/44/53/00/1282445300.db2.gz WOLZRLYBSFBMCZ-UHFFFAOYSA-N 0 3 352.395 0.239 20 30 FCEDHN C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001588349719 1282445305 /nfs/dbraw/zinc/44/53/05/1282445305.db2.gz WOLZRLYBSFBMCZ-UHFFFAOYSA-N 0 3 352.395 0.239 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)NC[C@H](C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001588351071 1282446999 /nfs/dbraw/zinc/44/69/99/1282446999.db2.gz DRAWSWCGGDWGFZ-BBRMVZONSA-N 0 3 368.445 0.300 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588355020 1282451099 /nfs/dbraw/zinc/45/10/99/1282451099.db2.gz DFOVLQLWSIIDJS-STQMWFEESA-N 0 3 374.420 0.886 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588355020 1282451104 /nfs/dbraw/zinc/45/11/04/1282451104.db2.gz DFOVLQLWSIIDJS-STQMWFEESA-N 0 3 374.420 0.886 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N(CC)CC[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001588358447 1282469423 /nfs/dbraw/zinc/46/94/23/1282469423.db2.gz SHPMUFCPVGQGDL-AWEZNQCLSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N(CC)CC[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001588358447 1282469428 /nfs/dbraw/zinc/46/94/28/1282469428.db2.gz SHPMUFCPVGQGDL-AWEZNQCLSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N(CC)CC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588358668 1282470659 /nfs/dbraw/zinc/47/06/59/1282470659.db2.gz UQHBDHNOWVIGNK-AWEZNQCLSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588358515 1282470963 /nfs/dbraw/zinc/47/09/63/1282470963.db2.gz YMSYATWIZXWZHU-LSDHHAIUSA-N 0 3 368.441 0.843 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588358515 1282470966 /nfs/dbraw/zinc/47/09/66/1282470966.db2.gz YMSYATWIZXWZHU-LSDHHAIUSA-N 0 3 368.441 0.843 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001588358515 1282470972 /nfs/dbraw/zinc/47/09/72/1282470972.db2.gz YMSYATWIZXWZHU-LSDHHAIUSA-N 0 3 368.441 0.843 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001588358515 1282470981 /nfs/dbraw/zinc/47/09/81/1282470981.db2.gz YMSYATWIZXWZHU-LSDHHAIUSA-N 0 3 368.441 0.843 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001588359141 1282472147 /nfs/dbraw/zinc/47/21/47/1282472147.db2.gz YUZNZMWXUBUMRL-JSGCOSHPSA-N 0 3 372.404 0.735 20 30 FCEDHN C#CCOCCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001588359065 1282472270 /nfs/dbraw/zinc/47/22/70/1282472270.db2.gz GNXSTVYMRWOTHE-UONOGXRCSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCOCCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001588359065 1282472277 /nfs/dbraw/zinc/47/22/77/1282472277.db2.gz GNXSTVYMRWOTHE-UONOGXRCSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCOCCC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588359133 1282472374 /nfs/dbraw/zinc/47/23/74/1282472374.db2.gz HVAAOFHJEMBLEH-INIZCTEOSA-N 0 3 368.441 0.987 20 30 FCEDHN C#CCOCCC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001588359133 1282472378 /nfs/dbraw/zinc/47/23/78/1282472378.db2.gz HVAAOFHJEMBLEH-INIZCTEOSA-N 0 3 368.441 0.987 20 30 FCEDHN C#CCOCCC(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588359257 1282474379 /nfs/dbraw/zinc/47/43/79/1282474379.db2.gz JEGJPQPDSOHNCK-LJQANCHMSA-N 0 3 368.441 0.987 20 30 FCEDHN C#CCOCCC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588359257 1282474387 /nfs/dbraw/zinc/47/43/87/1282474387.db2.gz JEGJPQPDSOHNCK-LJQANCHMSA-N 0 3 368.441 0.987 20 30 FCEDHN C#CCOCCC(=O)NC[C@@H]1CC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588361043 1282480491 /nfs/dbraw/zinc/48/04/91/1282480491.db2.gz BXQUUAVNSYSJLP-INIZCTEOSA-N 0 3 368.441 0.845 20 30 FCEDHN C#CCOCCC(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588361043 1282480495 /nfs/dbraw/zinc/48/04/95/1282480495.db2.gz BXQUUAVNSYSJLP-INIZCTEOSA-N 0 3 368.441 0.845 20 30 FCEDHN C#CCOCCC(=O)NC[C@@H]1CC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001588361043 1282480500 /nfs/dbraw/zinc/48/05/00/1282480500.db2.gz BXQUUAVNSYSJLP-INIZCTEOSA-N 0 3 368.441 0.845 20 30 FCEDHN C#CCOCCC(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001588361043 1282480505 /nfs/dbraw/zinc/48/05/05/1282480505.db2.gz BXQUUAVNSYSJLP-INIZCTEOSA-N 0 3 368.441 0.845 20 30 FCEDHN C#CCOCCC(=O)NCC1CC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588362308 1282487622 /nfs/dbraw/zinc/48/76/22/1282487622.db2.gz ZPSUSYJHYKTHQJ-UHFFFAOYSA-N 0 3 368.441 0.891 20 30 FCEDHN C#CCOCCC(=O)NCC1CC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001588362308 1282487629 /nfs/dbraw/zinc/48/76/29/1282487629.db2.gz ZPSUSYJHYKTHQJ-UHFFFAOYSA-N 0 3 368.441 0.891 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)N[C@@H](C)CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001588503638 1282542698 /nfs/dbraw/zinc/54/26/98/1282542698.db2.gz BKVFGLGKUAVPFP-APPDUMDISA-N 0 3 362.409 0.927 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001588505660 1282547589 /nfs/dbraw/zinc/54/75/89/1282547589.db2.gz ULJSBYHRWDZXBI-QGZVFWFLSA-N 0 3 360.418 0.408 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)NCC[NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001588505660 1282547595 /nfs/dbraw/zinc/54/75/95/1282547595.db2.gz ULJSBYHRWDZXBI-QGZVFWFLSA-N 0 3 360.418 0.408 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588505675 1282548356 /nfs/dbraw/zinc/54/83/56/1282548356.db2.gz URLITZFMRSFAEZ-APPDUMDISA-N 0 3 362.409 0.927 20 30 FCEDHN C=CCC[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001588578103 1282571494 /nfs/dbraw/zinc/57/14/94/1282571494.db2.gz WERCUYLGGUGVOW-TZMCWYRMSA-N 0 3 361.450 0.914 20 30 FCEDHN C=CCC[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001588578103 1282571504 /nfs/dbraw/zinc/57/15/04/1282571504.db2.gz WERCUYLGGUGVOW-TZMCWYRMSA-N 0 3 361.450 0.914 20 30 FCEDHN C=CCC[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001588578103 1282571513 /nfs/dbraw/zinc/57/15/13/1282571513.db2.gz WERCUYLGGUGVOW-TZMCWYRMSA-N 0 3 361.450 0.914 20 30 FCEDHN C=CCC[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001588578103 1282571524 /nfs/dbraw/zinc/57/15/24/1282571524.db2.gz WERCUYLGGUGVOW-TZMCWYRMSA-N 0 3 361.450 0.914 20 30 FCEDHN C=CCC[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588577726 1282573368 /nfs/dbraw/zinc/57/33/68/1282573368.db2.gz MBQNEHWNFVEHFC-PXAZEXFGSA-N 0 3 359.434 0.716 20 30 FCEDHN C=CCC[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588577726 1282573377 /nfs/dbraw/zinc/57/33/77/1282573377.db2.gz MBQNEHWNFVEHFC-PXAZEXFGSA-N 0 3 359.434 0.716 20 30 FCEDHN C=CCC[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588577726 1282573384 /nfs/dbraw/zinc/57/33/84/1282573384.db2.gz MBQNEHWNFVEHFC-PXAZEXFGSA-N 0 3 359.434 0.716 20 30 FCEDHN C=CCC[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588577726 1282573393 /nfs/dbraw/zinc/57/33/93/1282573393.db2.gz MBQNEHWNFVEHFC-PXAZEXFGSA-N 0 3 359.434 0.716 20 30 FCEDHN C=CCN1CC[C@H]([NH2+][C@H](C)CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1=O ZINC001588657616 1282609365 /nfs/dbraw/zinc/60/93/65/1282609365.db2.gz RHNATYBZAKZCFB-YPMHNXCESA-N 0 3 372.433 0.080 20 30 FCEDHN C=CCN1CC[C@H]([NH2+][C@H](C)CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1=O ZINC001588657616 1282609372 /nfs/dbraw/zinc/60/93/72/1282609372.db2.gz RHNATYBZAKZCFB-YPMHNXCESA-N 0 3 372.433 0.080 20 30 FCEDHN CCCC[C@@H](C[NH2+]CC#CCOC)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001590578077 1283618032 /nfs/dbraw/zinc/61/80/32/1283618032.db2.gz MVUMFILEIRECCU-AWEZNQCLSA-N 0 3 359.434 0.723 20 30 FCEDHN CCOC(=O)[C@@H](C)CNC(=O)C(C#N)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001590749955 1283804631 /nfs/dbraw/zinc/80/46/31/1283804631.db2.gz FCVFMOCVEVTPSS-SMDDNHRTSA-N 0 3 356.386 0.864 20 30 FCEDHN COC(=O)[C@]1(C)CCN(C(=O)C(C#N)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591244488 1284394153 /nfs/dbraw/zinc/39/41/53/1284394153.db2.gz VAQYYQAWNBVJEO-KBXCAEBGSA-N 0 3 368.397 0.961 20 30 FCEDHN COCC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001591360231 1284496637 /nfs/dbraw/zinc/49/66/37/1284496637.db2.gz AZBDYFUDMKSBQJ-KBPBESRZSA-N 0 3 371.445 0.675 20 30 FCEDHN COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001591361473 1284497978 /nfs/dbraw/zinc/49/79/78/1284497978.db2.gz MVQMOGJQPIRNJP-QGZVFWFLSA-N 0 3 357.418 0.286 20 30 FCEDHN COCC#CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001591362685 1284499561 /nfs/dbraw/zinc/49/95/61/1284499561.db2.gz WAZVNFXFMQCWIW-CYBMUJFWSA-N 0 3 357.418 0.239 20 30 FCEDHN COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001591362685 1284499566 /nfs/dbraw/zinc/49/95/66/1284499566.db2.gz WAZVNFXFMQCWIW-CYBMUJFWSA-N 0 3 357.418 0.239 20 30 FCEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC001602854166 1287138306 /nfs/dbraw/zinc/13/83/06/1287138306.db2.gz WRMRXJDZLVBEEP-GFCCVEGCSA-N 0 3 357.418 0.092 20 30 FCEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)NC[C@H](C)C[NH3+] ZINC001602854166 1287138310 /nfs/dbraw/zinc/13/83/10/1287138310.db2.gz WRMRXJDZLVBEEP-GFCCVEGCSA-N 0 3 357.418 0.092 20 30 FCEDHN C=CCNC(=[NH2+])NCCCc1nn(-c2ccccc2)c(N)c1-c1nnn[n-]1 ZINC001602867104 1287140786 /nfs/dbraw/zinc/14/07/86/1287140786.db2.gz VTDOVZARTMCUHK-UHFFFAOYSA-N 0 3 366.433 0.867 20 30 FCEDHN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-c3nnn[n-]3)n2C)c1C#N ZINC001604892469 1287808600 /nfs/dbraw/zinc/80/86/00/1287808600.db2.gz PBTGLLONSGNTAI-UHFFFAOYSA-N 0 3 354.378 0.204 20 30 FCEDHN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-c3nn[n-]n3)n2C)c1C#N ZINC001604892469 1287808602 /nfs/dbraw/zinc/80/86/02/1287808602.db2.gz PBTGLLONSGNTAI-UHFFFAOYSA-N 0 3 354.378 0.204 20 30 FCEDHN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-c3nnn[n-]3)ccn2)c1C#N ZINC001604892316 1287808701 /nfs/dbraw/zinc/80/87/01/1287808701.db2.gz LNTJVKUHCPNPRK-UHFFFAOYSA-N 0 3 352.362 0.261 20 30 FCEDHN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-c3nn[n-]n3)ccn2)c1C#N ZINC001604892316 1287808702 /nfs/dbraw/zinc/80/87/02/1287808702.db2.gz LNTJVKUHCPNPRK-UHFFFAOYSA-N 0 3 352.362 0.261 20 30 FCEDHN COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)cc1-c1nnn[n-]1 ZINC001605284337 1287922316 /nfs/dbraw/zinc/92/23/16/1287922316.db2.gz SIVHTBLXIATLAF-GXTWGEPZSA-N 0 3 369.429 0.973 20 30 FCEDHN COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)cc1-c1nn[n-]n1 ZINC001605284337 1287922322 /nfs/dbraw/zinc/92/23/22/1287922322.db2.gz SIVHTBLXIATLAF-GXTWGEPZSA-N 0 3 369.429 0.973 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCCC(=O)N2C)C[C@H]1c1cnn(C)c1 ZINC001691978867 1289355877 /nfs/dbraw/zinc/35/58/77/1289355877.db2.gz YBPDBKDMNLVHNV-BBWFWOEESA-N 0 3 357.458 0.338 20 30 FCEDHN C=CCNC(=O)CN1CC[C@H](NC(=O)[C@H](C)CN2CCOCC2)[C@H]1CC ZINC001692027634 1289370216 /nfs/dbraw/zinc/37/02/16/1289370216.db2.gz YPSXWKHEQTYFOG-IXDOHACOSA-N 0 3 366.506 0.226 20 30 FCEDHN C[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)[C@H](CNCC(=O)NCC#N)C1 ZINC001692079084 1289386254 /nfs/dbraw/zinc/38/62/54/1289386254.db2.gz AMSVXLJXSWRYEP-VUNQQRPYSA-N 0 3 362.474 0.658 20 30 FCEDHN C#CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001692087600 1289396950 /nfs/dbraw/zinc/39/69/50/1289396950.db2.gz JKAVJBMSTDQTMK-VYDXJSESSA-N 0 3 359.474 0.554 20 30 FCEDHN C=CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1cn(CC=C)nn1 ZINC001692088010 1289397598 /nfs/dbraw/zinc/39/75/98/1289397598.db2.gz YSNVSBUHJBVJFD-CABCVRRESA-N 0 3 360.462 0.597 20 30 FCEDHN COCC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCc4nccn4C3)C[C@@H]2C1 ZINC001692267530 1289439134 /nfs/dbraw/zinc/43/91/34/1289439134.db2.gz MZRYKLBONHNSCX-SQNIBIBYSA-N 0 3 356.470 0.876 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H](C)CNCC(=O)NC(=O)NCC ZINC001698847175 1289537563 /nfs/dbraw/zinc/53/75/63/1289537563.db2.gz FYTZOEGUVHJNSX-YDHLFZDLSA-N 0 3 354.451 0.250 20 30 FCEDHN C#CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1COCC[C@@H]1c1ccccc1 ZINC001699364036 1289550574 /nfs/dbraw/zinc/55/05/74/1289550574.db2.gz ZBGKXFXIWSEIJM-KBAYOESNSA-N 0 3 357.454 0.650 20 30 FCEDHN C[C@@H](CNCC(=O)NCC#N)NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001699432561 1289555125 /nfs/dbraw/zinc/55/51/25/1289555125.db2.gz MUIBQCDPSUMHMV-WCFLWFBJSA-N 0 3 350.369 0.802 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(NCC(=O)NCC)CCOCC1 ZINC001699884631 1289571677 /nfs/dbraw/zinc/57/16/77/1289571677.db2.gz MEBIPEXMTKIHKO-HOCLYGCPSA-N 0 3 353.463 0.359 20 30 FCEDHN C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H](CC)N(C)C)C2)nn1 ZINC001757082062 1290712369 /nfs/dbraw/zinc/71/23/69/1290712369.db2.gz FJZXITGFGVZWFN-IIAWOOMASA-N 0 3 362.478 0.771 20 30 FCEDHN N#Cc1ccc(NC(=O)CCN2CCC(O)(C(N)=O)CC2)cc1Cl ZINC001653588170 1291354816 /nfs/dbraw/zinc/35/48/16/1291354816.db2.gz HDVSQXSIFYSFFT-UHFFFAOYSA-N 0 3 350.806 0.852 20 30 FCEDHN C#CCN1CCC(C(=O)NC[C@H](C)CNC(=O)[C@H]2OCCO[C@H]2C)CC1 ZINC001688877269 1294544028 /nfs/dbraw/zinc/54/40/28/1294544028.db2.gz JSIHKRRCUGMMRC-ZOBUZTSGSA-N 0 3 365.474 0.004 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1c1cnn(C)c1 ZINC001689034406 1294580991 /nfs/dbraw/zinc/58/09/91/1294580991.db2.gz VWGQHRPFLDRVCF-DLBZAZTESA-N 0 3 355.446 0.089 20 30 FCEDHN C=CCNC(=O)[C@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001689091983 1294609326 /nfs/dbraw/zinc/60/93/26/1294609326.db2.gz YXRSNDXORCPXQR-IPYPFGDCSA-N 0 3 361.446 0.703 20 30 FCEDHN C=CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001689095692 1294613909 /nfs/dbraw/zinc/61/39/09/1294613909.db2.gz LPVKDQXLDHVSLQ-OCCSQVGLSA-N 0 3 362.430 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C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1C ZINC001217015935 855274947 /nfs/dbraw/zinc/27/49/47/855274947.db2.gz GNMDUAKYMUHJNU-HUUCEWRRSA-N 0 3 350.463 0.279 20 30 FCEDHN C=CCCCCCN1C[C@H]2OCCN(C(=O)[C@H]3CN(C)CCO3)[C@H]2C1 ZINC001217590615 855351324 /nfs/dbraw/zinc/35/13/24/855351324.db2.gz MQSXNWVFSKFAGL-RCCFBDPRSA-N 0 3 351.491 0.975 20 30 FCEDHN C=CCCCN1C[C@H]2OCCN(C(=O)[C@H](C)NS(=O)(=O)CC)[C@H]2C1 ZINC001217960201 855386051 /nfs/dbraw/zinc/38/60/51/855386051.db2.gz VOCOKUTXASXNFI-SOUVJXGZSA-N 0 3 359.492 0.192 20 30 FCEDHN C=CCOCCN1C[C@H]2OCCN(C(=O)[C@@H](F)CN(CC)CC)[C@H]2C1 ZINC001218048635 855393064 /nfs/dbraw/zinc/39/30/64/855393064.db2.gz ILUOMQIDOMUIJZ-YESZJQIVSA-N 0 3 357.470 0.781 20 30 FCEDHN CCCCCCCN1C[C@H]2OCCN(C(=O)[C@@H]3CN(C)C(=O)N3)[C@H]2C1 ZINC001218430753 855424730 /nfs/dbraw/zinc/42/47/30/855424730.db2.gz RHBRZBPWJCZXJO-HRCADAONSA-N 0 3 352.479 0.892 20 30 FCEDHN CCCCCCCN1C[C@H]2OCCN(C(=O)CCn3cnnn3)[C@H]2C1 ZINC001218826448 855484170 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30 FCEDHN CCCCCCCN1C[C@@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)[C@@H](O)C1 ZINC001219967108 855900933 /nfs/dbraw/zinc/90/09/33/855900933.db2.gz HBBOXMWGYSBMPS-OAGGEKHMSA-N 0 3 354.495 0.909 20 30 FCEDHN CCCCCCCN1C[C@@H](NC(=O)Cn2nnnc2C(C)C)[C@@H](O)C1 ZINC001220509636 856160436 /nfs/dbraw/zinc/16/04/36/856160436.db2.gz INZARCFFABIGNW-CABCVRRESA-N 0 3 352.483 0.928 20 30 FCEDHN CCCCCCCN1C[C@@H](NC(=O)CC[C@H]2NC(=O)NC2=O)[C@@H](O)C1 ZINC001220934130 856383535 /nfs/dbraw/zinc/38/35/35/856383535.db2.gz UFFALALKFBLTDU-MCIONIFRSA-N 0 3 354.451 0.106 20 30 FCEDHN CCCCCCCN1C[C@@H](NC(=O)[C@H]2COCCN2C(C)=O)[C@@H](O)C1 ZINC001221007726 856421683 /nfs/dbraw/zinc/42/16/83/856421683.db2.gz QYHOGGXIKZJPBM-ZACQAIPSSA-N 0 3 355.479 0.365 20 30 FCEDHN COC(=O)C1(C#N)CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC001221814364 856694626 /nfs/dbraw/zinc/69/46/26/856694626.db2.gz OZCUETYJWCQOJJ-KBPBESRZSA-N 0 3 350.419 0.338 20 30 FCEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)CCS(=O)(=O)N(C)C)[C@@H]2C1 ZINC001222042505 856780982 /nfs/dbraw/zinc/78/09/82/856780982.db2.gz AYWCJXGFHRQTOF-HUUCEWRRSA-N 0 3 359.492 0.003 20 30 FCEDHN C=CCNC(=O)NC(C)(C)C(=O)N1C[C@H]2CCN(C[C@@H](C)OC)C[C@H]21 ZINC001222051113 856784800 /nfs/dbraw/zinc/78/48/00/856784800.db2.gz NSLZGZBRSBUTQW-RBSFLKMASA-N 0 3 352.479 0.818 20 30 FCEDHN C[C@@H](C#N)C(=O)N1CC[C@H]2CCN(CCCS(=O)(=O)N(C)C)[C@H]2C1 ZINC001222443469 856841015 /nfs/dbraw/zinc/84/10/15/856841015.db2.gz XVFOSCAYTQZPJN-ZNMIVQPWSA-N 0 3 356.492 0.350 20 30 FCEDHN C#CCNC(=O)CC(=O)N1CC[C@H]2CCN(CCc3ccns3)[C@H]2C1 ZINC001222562273 856852142 /nfs/dbraw/zinc/85/21/42/856852142.db2.gz AROQTVOSVLDEBU-ZBFHGGJFSA-N 0 3 360.483 0.748 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCCCOC ZINC001226188290 857088845 /nfs/dbraw/zinc/08/88/45/857088845.db2.gz RMJFUAMKKNFRTB-ARFHVFGLSA-N 0 3 353.463 0.194 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCCCNC(N)=O ZINC001227339819 857155782 /nfs/dbraw/zinc/15/57/82/857155782.db2.gz HWJRNRFMWICONB-ZIAGYGMSSA-N 0 3 353.467 0.144 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCC(=O)N1C ZINC001227893001 857182737 /nfs/dbraw/zinc/18/27/37/857182737.db2.gz CPSHYUCBHZDHND-RRFJBIMHSA-N 0 3 350.463 0.317 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC1CC1 ZINC001229381447 857267440 /nfs/dbraw/zinc/26/74/40/857267440.db2.gz NQRYLHYHQDQDDF-NWANDNLSSA-N 0 3 350.463 0.220 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)C(C)(C)C ZINC001230116656 857305038 /nfs/dbraw/zinc/30/50/38/857305038.db2.gz DAXZPFRGSSDNNM-ZIAGYGMSSA-N 0 3 352.479 0.468 20 30 FCEDHN CNS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001230174937 857310763 /nfs/dbraw/zinc/31/07/63/857310763.db2.gz PQUQILGAQWMBBT-IAGOWNOFSA-N 0 3 363.483 0.604 20 30 FCEDHN CCOCCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N ZINC001230242793 857316900 /nfs/dbraw/zinc/31/69/00/857316900.db2.gz HTBNHFHMBGLLGF-RRFJBIMHSA-N 0 3 354.451 0.085 20 30 FCEDHN N#Cc1cnc([N-]S(=O)(=O)CC[NH3+])c(I)c1 ZINC001237508253 857454097 /nfs/dbraw/zinc/45/40/97/857454097.db2.gz KSIIOVLVBVDIHR-UHFFFAOYSA-N 0 3 352.157 0.258 20 30 FCEDHN N#Cc1cc(S(=O)(=O)N2CCNC[C@@]3(CCCCN3)C2)ccc1F ZINC001239017918 857500294 /nfs/dbraw/zinc/50/02/94/857500294.db2.gz LVCNINWOLJXSMP-INIZCTEOSA-N 0 3 352.435 0.804 20 30 FCEDHN C=CCOCc1nn(CC2CC2)c2c1CN(S(=O)(=O)CCN)CC2 ZINC001239076533 857506302 /nfs/dbraw/zinc/50/63/02/857506302.db2.gz RKLRKALQXMLJRY-UHFFFAOYSA-N 0 3 354.476 0.642 20 30 FCEDHN C#CCOC[C@@H](O)CN1CCO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001251836307 857757172 /nfs/dbraw/zinc/75/71/72/857757172.db2.gz XTBQAZRNESFMHP-HRCADAONSA-N 0 3 354.447 0.565 20 30 FCEDHN C#CCOC[C@@H](O)CN1C[C@@H](NC(=O)CC2CC2)[C@H]2OCCC[C@H]2C1 ZINC001251836274 857757203 /nfs/dbraw/zinc/75/72/03/857757203.db2.gz XCALLVQMEREWTM-BMFAXAFESA-N 0 3 350.459 0.393 20 30 FCEDHN C=CCC[C@@H](O)CN1Cc2ccnn2C[C@H](COCC(=O)N(C)C)C1 ZINC001252597089 857823732 /nfs/dbraw/zinc/82/37/32/857823732.db2.gz WSBIDVORTMRBPO-NVXWUHKLSA-N 0 3 350.463 0.747 20 30 FCEDHN C=CCN1CCC[C@@H](N[C@@H](C)CCS(=O)(=O)CCC(=O)OC)C1=O ZINC001257922082 858164749 /nfs/dbraw/zinc/16/47/49/858164749.db2.gz BCMKOSSJGYYGNM-UONOGXRCSA-N 0 3 360.476 0.510 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N(CCC)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001258212746 858183148 /nfs/dbraw/zinc/18/31/48/858183148.db2.gz ZPVGUMITVAGJKR-OAHLLOKOSA-N 0 3 371.503 0.179 20 30 FCEDHN C=CCC[C@H](C)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001258728103 858209476 /nfs/dbraw/zinc/20/94/76/858209476.db2.gz LGQHGQALXXZVQP-YLFCFFPRSA-N 0 3 370.515 0.935 20 30 FCEDHN C#CCN(C)CCCNC(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1 ZINC001262626794 859022649 /nfs/dbraw/zinc/02/26/49/859022649.db2.gz YYONTEPYSMVYOX-CQSZACIVSA-N 0 3 367.471 0.031 20 30 FCEDHN C#CCN1CCC(C(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)CC1 ZINC001318931715 867781939 /nfs/dbraw/zinc/78/19/39/867781939.db2.gz CVMVHXJVGHYWNA-AWEZNQCLSA-N 0 3 350.444 0.526 20 30 FCEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@](F)(CO)C1)C(C)C ZINC001321788087 868611958 /nfs/dbraw/zinc/61/19/58/868611958.db2.gz RZDNZRLWRUEREN-CRAIPNDOSA-N 0 3 355.454 0.734 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NCCCCCS(C)(=O)=O)CC1 ZINC001322542240 868852916 /nfs/dbraw/zinc/85/29/16/868852916.db2.gz CKKRHMCIWVIDAY-UHFFFAOYSA-N 0 3 359.492 0.084 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC(O)(C(F)(F)F)CC2)CC1 ZINC001322608425 868881162 /nfs/dbraw/zinc/88/11/62/868881162.db2.gz SLTHPQVUVJIKJR-UHFFFAOYSA-N 0 3 363.380 0.669 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]2CC(=O)OCC)CC1 ZINC001324405331 869574851 /nfs/dbraw/zinc/57/48/51/869574851.db2.gz CRCLJOSPCRZBBK-OAHLLOKOSA-N 0 3 351.447 0.697 20 30 FCEDHN C=CCN(C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)C1CC1 ZINC001326170353 870196368 /nfs/dbraw/zinc/19/63/68/870196368.db2.gz AESFMYZGUIDLJN-HNNXBMFYSA-N 0 3 350.463 0.222 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC001328668297 871570027 /nfs/dbraw/zinc/57/00/27/871570027.db2.gz AIKCDCPOVFQGSX-YJBOKZPZSA-N 0 3 351.447 0.207 20 30 FCEDHN CN(C)[C@]1(CNC(=O)C(=O)NCCc2ccc(C#N)cc2)CCSC1 ZINC001328838909 871659942 /nfs/dbraw/zinc/65/99/42/871659942.db2.gz XJVYKHIPCSOFKY-SFHVURJKSA-N 0 3 360.483 0.770 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCCC[C@H]2CNC(C)=O)CC1 ZINC001330134081 872483365 /nfs/dbraw/zinc/48/33/65/872483365.db2.gz ZOEJCNCXVUICKC-INIZCTEOSA-N 0 3 350.463 0.270 20 30 FCEDHN N#CCCC[C@H](N)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC001332119543 873382831 /nfs/dbraw/zinc/38/28/31/873382831.db2.gz LOGKEMOSUSYEPE-HNNXBMFYSA-N 0 3 350.444 0.881 20 30 FCEDHN C#CCC[NH+]1CCC(CCOC)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573283794 946727989 /nfs/dbraw/zinc/72/79/89/946727989.db2.gz YIKGPJBRWAUHMV-UHFFFAOYSA-N 0 3 371.445 0.819 20 30 FCEDHN C#CCC[NH+]1CCC(CCOC)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573283794 946727998 /nfs/dbraw/zinc/72/79/98/946727998.db2.gz YIKGPJBRWAUHMV-UHFFFAOYSA-N 0 3 371.445 0.819 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573285011 946765353 /nfs/dbraw/zinc/76/53/53/946765353.db2.gz BRGMCSFFMWCKSW-UONOGXRCSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573285011 946765364 /nfs/dbraw/zinc/76/53/64/946765364.db2.gz BRGMCSFFMWCKSW-UONOGXRCSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573285011 946765379 /nfs/dbraw/zinc/76/53/79/946765379.db2.gz BRGMCSFFMWCKSW-UONOGXRCSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573285011 946765391 /nfs/dbraw/zinc/76/53/91/946765391.db2.gz BRGMCSFFMWCKSW-UONOGXRCSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573286185 946796696 /nfs/dbraw/zinc/79/66/96/946796696.db2.gz VZRWCFVKGFPIHR-OCCSQVGLSA-N 0 3 372.404 0.735 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573286185 946796703 /nfs/dbraw/zinc/79/67/03/946796703.db2.gz VZRWCFVKGFPIHR-OCCSQVGLSA-N 0 3 372.404 0.735 20 30 FCEDHN C[C@@H](C#N)C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573569632 947076880 /nfs/dbraw/zinc/07/68/80/947076880.db2.gz CQBULVKVYXTVIN-WCQYABFASA-N 0 3 373.392 0.482 20 30 FCEDHN C=CCC[C@@H](C)[NH2+]C[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001573334123 947446543 /nfs/dbraw/zinc/44/65/43/947446543.db2.gz JXIPMBNOXYANGR-OCCSQVGLSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCC[C@@H](C)[NH2+]C[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001573334123 947446555 /nfs/dbraw/zinc/44/65/55/947446555.db2.gz JXIPMBNOXYANGR-OCCSQVGLSA-N 0 3 359.434 0.980 20 30 FCEDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000153084425 530061551 /nfs/dbraw/zinc/06/15/51/530061551.db2.gz NUIDORNQAONIEZ-SFHVURJKSA-N 0 3 370.453 0.896 20 30 FCEDHN CN1CCC[C@H]1C(=O)N1CCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000162495940 530061907 /nfs/dbraw/zinc/06/19/07/530061907.db2.gz CGPMBTQNEBYRCH-INIZCTEOSA-N 0 3 361.490 0.567 20 30 FCEDHN CN1CCN(CC2CCN(C(=O)Nc3ccc(C(N)=O)nc3)CC2)CC1 ZINC000328936026 530071854 /nfs/dbraw/zinc/07/18/54/530071854.db2.gz ANMLPFLCUFXIJE-UHFFFAOYSA-N 0 3 360.462 0.685 20 30 FCEDHN CCN(CC)CC(=O)N1CCN(C(=O)COc2ccc(C#N)cc2)CC1 ZINC000264079712 209817369 /nfs/dbraw/zinc/81/73/69/209817369.db2.gz PZYQEVOOCFFVOL-UHFFFAOYSA-N 0 3 358.442 0.950 20 30 FCEDHN C#CCN(C)CCCNC(=O)Nc1nn(CCS(=O)(=O)CC)cc1C ZINC000931129193 674094700 /nfs/dbraw/zinc/09/47/00/674094700.db2.gz QCBBFOFDOZEJTJ-UHFFFAOYSA-N 0 3 369.491 0.703 20 30 FCEDHN C[C@@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1)CN1CCN(C)CC1 ZINC000284126765 213079319 /nfs/dbraw/zinc/07/93/19/213079319.db2.gz DBQPQVOHTXHBIF-HOTGVXAUSA-N 0 3 371.485 0.735 20 30 FCEDHN CN1CCC[C@H](N2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000369344087 216387780 /nfs/dbraw/zinc/38/77/80/216387780.db2.gz PJHCTYVLPHNXMD-SFHVURJKSA-N 0 3 369.469 0.526 20 30 FCEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000187387792 209211902 /nfs/dbraw/zinc/21/19/02/209211902.db2.gz VFPBCVXKSWGQFE-CYBMUJFWSA-N 0 3 361.421 0.778 20 30 FCEDHN Cc1cccc(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)c1C#N ZINC000187388041 209211735 /nfs/dbraw/zinc/21/17/35/209211735.db2.gz IVPWAVAIRRZFCD-HNNXBMFYSA-N 0 3 357.458 0.947 20 30 FCEDHN N#C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CN)CCN1Cc1ccccc1 ZINC000423628809 247084162 /nfs/dbraw/zinc/08/41/62/247084162.db2.gz WSWHSKOAKPNMTH-ZWKOTPCHSA-N 0 3 369.469 0.563 20 30 FCEDHN C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](N)c2ccccc2CC)C1=O ZINC000423972817 247156648 /nfs/dbraw/zinc/15/66/48/247156648.db2.gz IRXUSOXFNBEFLO-CQSZACIVSA-N 0 3 358.398 0.342 20 30 FCEDHN N#CCCC[C@H](N)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000424085339 247166020 /nfs/dbraw/zinc/16/60/20/247166020.db2.gz PKLPUYCURSLWCU-ZDUSSCGKSA-N 0 3 358.851 0.756 20 30 FCEDHN N#CCCC[C@@H](N)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000424089694 247166453 /nfs/dbraw/zinc/16/64/53/247166453.db2.gz AWPQWSHRBGLZIE-LLVKDONJSA-N 0 3 365.415 0.962 20 30 FCEDHN N#CCCC[C@H](N)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000424108820 247169748 /nfs/dbraw/zinc/16/97/48/247169748.db2.gz YLZUPVFQJBQIOG-INIZCTEOSA-N 0 3 364.471 0.931 20 30 FCEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000424139969 247171115 /nfs/dbraw/zinc/17/11/15/247171115.db2.gz VWYPYFUCSJNDSQ-MRXNPFEDSA-N 0 3 359.430 0.917 20 30 FCEDHN N#CCCC[C@@H](N)C(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000424142902 247171419 /nfs/dbraw/zinc/17/14/19/247171419.db2.gz IWXJCAXHSDHZPU-FUHWJXTLSA-N 0 3 360.458 0.592 20 30 FCEDHN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)[C@@H](N)CCCC#N)cn2)C[C@@H](C)O1 ZINC000424132639 247172048 /nfs/dbraw/zinc/17/20/48/247172048.db2.gz WMEKUIKMMFSTGO-NFAWXSAZSA-N 0 3 362.434 0.479 20 30 FCEDHN COC(=O)c1ccsc1N1CC[C@H](NC(=O)[C@H](N)CCCC#N)C1=O ZINC000424134011 247172210 /nfs/dbraw/zinc/17/22/10/247172210.db2.gz AJZSYFRNGDLDIG-NEPJUHHUSA-N 0 3 364.427 0.777 20 30 FCEDHN CN1CCN(C(=O)Cc2cccc(NC(=O)[C@@H](N)CCCC#N)c2)CC1 ZINC000424151618 247173274 /nfs/dbraw/zinc/17/32/74/247173274.db2.gz ICVYKQIUHVBRCD-KRWDZBQOSA-N 0 3 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Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H]3CCCO)CC2)o1 ZINC000120344814 208379384 /nfs/dbraw/zinc/37/93/84/208379384.db2.gz QMLZQRXQVUNLQY-OAHLLOKOSA-N 0 3 361.446 0.740 20 30 FCEDHN CN1CCN(C(=O)CN2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000120387059 208382619 /nfs/dbraw/zinc/38/26/19/208382619.db2.gz AZUINHGKGRDKEF-UHFFFAOYSA-N 0 3 355.486 0.840 20 30 FCEDHN CN(C(=O)CON=C(N)c1ccccc1CN1CCC(O)CC1)C1CC1 ZINC000109322443 229165655 /nfs/dbraw/zinc/16/56/55/229165655.db2.gz IFPJAGIBQOODNP-UHFFFAOYSA-N 0 3 360.458 0.901 20 30 FCEDHN O=C(NCCNC(=O)N1CCN(C2CCCC2)CC1)C1N=CC=CC1=O ZINC000264767687 229337138 /nfs/dbraw/zinc/33/71/38/229337138.db2.gz MXFJSWHWSWAROG-MSUUIHNZSA-N 0 3 361.446 0.783 20 30 FCEDHN C[C@H](C#N)CN(C)C(=O)C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000411019131 230349798 /nfs/dbraw/zinc/34/97/98/230349798.db2.gz MBSZFYRKJNEPIL-UZLBHIALSA-N 0 3 372.469 0.700 20 30 FCEDHN C=CCN1C(=O)C(=O)N(CC(=O)N(CCN(C)C)c2ccccc2)C1=O ZINC000299712231 488869422 /nfs/dbraw/zinc/86/94/22/488869422.db2.gz 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ZINC000329053315 488964207 /nfs/dbraw/zinc/96/42/07/488964207.db2.gz LKZHNNXMSULRRZ-JYJNAYRXSA-N 0 3 364.494 0.637 20 30 FCEDHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000329128879 488972669 /nfs/dbraw/zinc/97/26/69/488972669.db2.gz VRJWIRRNOSXJBP-OCCSQVGLSA-N 0 3 364.537 0.351 20 30 FCEDHN CN(C)CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000062644462 488301273 /nfs/dbraw/zinc/30/12/73/488301273.db2.gz JTLVCVVQXWCHGH-UHFFFAOYSA-N 0 3 371.441 0.413 20 30 FCEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCNS(C)(=O)=O ZINC000065930070 488323095 /nfs/dbraw/zinc/32/30/95/488323095.db2.gz YLPOULPAZZIYDZ-UHFFFAOYSA-N 0 3 352.460 0.388 20 30 FCEDHN C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](N(C)C)Cc3ccccc32)C1=O ZINC000067203982 488346237 /nfs/dbraw/zinc/34/62/37/488346237.db2.gz LPSPESSRUTVOME-AWEZNQCLSA-N 0 3 370.409 0.483 20 30 FCEDHN COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000569820668 491195457 /nfs/dbraw/zinc/19/54/57/491195457.db2.gz SPEXKONYNSBFNP-HNNXBMFYSA-N 0 3 370.413 0.860 20 30 FCEDHN CN(CCNC(=O)C1CCN(CC(=O)NCC#N)CC1)Cc1ccccc1 ZINC000081156144 488439845 /nfs/dbraw/zinc/43/98/45/488439845.db2.gz MIWYTKQDGAHOHK-UHFFFAOYSA-N 0 3 371.485 0.586 20 30 FCEDHN COCCOC[C@H]1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000091583965 488465628 /nfs/dbraw/zinc/46/56/28/488465628.db2.gz DOHUGCMDDRJSFO-ZWKOTPCHSA-N 0 3 366.506 0.664 20 30 FCEDHN CN1CCN(CCCNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000269123854 488471453 /nfs/dbraw/zinc/47/14/53/488471453.db2.gz SZPHNWIHAKBGSS-UHFFFAOYSA-N 0 3 363.849 0.904 20 30 FCEDHN CN1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000247111048 488482040 /nfs/dbraw/zinc/48/20/40/488482040.db2.gz ACZIDWQNPMEZMK-IEBWSBKVSA-N 0 3 372.469 0.536 20 30 FCEDHN N#Cc1ccccc1OCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103123674 488499472 /nfs/dbraw/zinc/49/94/72/488499472.db2.gz BLJFPKHJBANSEH-UHFFFAOYSA-N 0 3 356.426 0.704 20 30 FCEDHN N#Cc1ccc(OC[C@@H](O)CN2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000103150815 488500081 /nfs/dbraw/zinc/50/00/81/488500081.db2.gz JUIYHSDETLCRKL-SFHVURJKSA-N 0 3 372.469 0.538 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000106275268 488513193 /nfs/dbraw/zinc/51/31/93/488513193.db2.gz NZQHOWMZRPSSHM-HNNXBMFYSA-N 0 3 358.508 0.750 20 30 FCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCC[C@H]3[C@@H](C)O)CC2)o1 ZINC000106864188 488515842 /nfs/dbraw/zinc/51/58/42/488515842.db2.gz RWWWTYASDYVDQT-CJNGLKHVSA-N 0 3 361.446 0.739 20 30 FCEDHN CN(CCC#N)C[C@@H](O)CN[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000563013755 491207795 /nfs/dbraw/zinc/20/77/95/491207795.db2.gz LUFMYQANMBNCAI-ROUUACIJSA-N 0 3 355.442 0.850 20 30 FCEDHN CC1CCN(C[C@@H](O)CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000109182432 488522342 /nfs/dbraw/zinc/52/23/42/488522342.db2.gz QNEYEKYQOBXMPK-HNNXBMFYSA-N 0 3 362.405 0.845 20 30 FCEDHN N#Cc1ccc(CNC(=O)NCCCCN2CCN(CCO)CC2)cc1 ZINC000114586874 488541363 /nfs/dbraw/zinc/54/13/63/488541363.db2.gz IFOUDEZOXWTEBB-UHFFFAOYSA-N 0 3 359.474 0.748 20 30 FCEDHN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CCCN(C)C1 ZINC000120368400 488561152 /nfs/dbraw/zinc/56/11/52/488561152.db2.gz VILJFOKDSDCRQQ-DZGCQCFKSA-N 0 3 364.471 0.683 20 30 FCEDHN N#Cc1ccc(S(=O)(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)cn1 ZINC000127411497 488616776 /nfs/dbraw/zinc/61/67/76/488616776.db2.gz FYQFJXANWCNYAV-DLBZAZTESA-N 0 3 364.471 0.999 20 30 FCEDHN C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000272924488 488617555 /nfs/dbraw/zinc/61/75/55/488617555.db2.gz FUQOMEFWVAOCQA-UHFFFAOYSA-N 0 3 367.471 0.712 20 30 FCEDHN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)C1CCN(C)CC1 ZINC000130977764 488642007 /nfs/dbraw/zinc/64/20/07/488642007.db2.gz ZCPUQBPNLHWJLX-CYBMUJFWSA-N 0 3 364.471 0.778 20 30 FCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H]3CCCC[C@H]3C(N)=O)CC2)o1 ZINC000131328415 488645245 /nfs/dbraw/zinc/64/52/45/488645245.db2.gz HPBOCALIYJGFID-KGLIPLIRSA-N 0 3 374.445 0.137 20 30 FCEDHN N#Cc1ccc(S(=O)(=O)NCC2(N3CCCC3)CCOCC2)cn1 ZINC000264172695 488652158 /nfs/dbraw/zinc/65/21/58/488652158.db2.gz IDVKPSQIDLVSJM-UHFFFAOYSA-N 0 3 350.444 0.877 20 30 FCEDHN CN(C)CCNC(=O)C1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000554650917 491215947 /nfs/dbraw/zinc/21/59/47/491215947.db2.gz ORLSCAXIPRCEKK-QGZVFWFLSA-N 0 3 357.458 0.474 20 30 FCEDHN COCCN1CCC(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000140444510 488686908 /nfs/dbraw/zinc/68/69/08/488686908.db2.gz MWXNSKFXLVKGEN-UHFFFAOYSA-N 0 3 372.473 0.896 20 30 FCEDHN C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](C)N(C)Cc2ccccc2)C1=O ZINC000264640923 488693422 /nfs/dbraw/zinc/69/34/22/488693422.db2.gz GBCBPENMOFXFRN-AWEZNQCLSA-N 0 3 372.425 0.600 20 30 FCEDHN C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1=O ZINC000264640925 488693475 /nfs/dbraw/zinc/69/34/75/488693475.db2.gz GBCBPENMOFXFRN-CQSZACIVSA-N 0 3 372.425 0.600 20 30 FCEDHN Cc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1S(=O)(=O)NCC#N ZINC000151170875 488702272 /nfs/dbraw/zinc/70/22/72/488702272.db2.gz JQPDNWBYYBJIIK-OAHLLOKOSA-N 0 3 364.471 0.963 20 30 FCEDHN 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ZINC000571874496 491334250 /nfs/dbraw/zinc/33/42/50/491334250.db2.gz JSBNTESMZMONFQ-IAGOWNOFSA-N 0 3 360.458 0.462 20 30 FCEDHN C=CCN1CCC(NC(=O)[C@@H](CCSC)NS(=O)(=O)CC)CC1 ZINC000500749032 490547779 /nfs/dbraw/zinc/54/77/79/490547779.db2.gz QDYSIHCSKWAKMD-CQSZACIVSA-N 0 3 363.549 0.814 20 30 FCEDHN C=CCN(CCCS(N)(=O)=O)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000525127544 490576633 /nfs/dbraw/zinc/57/66/33/490576633.db2.gz HKEFPGDCTQDVHW-CYBMUJFWSA-N 0 3 350.448 0.890 20 30 FCEDHN C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(CN(C)C)cc2)C1=O ZINC000550119288 490627688 /nfs/dbraw/zinc/62/76/88/490627688.db2.gz IZTYWVYPGXOLCA-QGZVFWFLSA-N 0 3 372.469 0.610 20 30 FCEDHN COc1cccc([C@H](CNC(=O)NCC(=O)NCC#N)N2CCCC2)c1 ZINC000511907208 490637334 /nfs/dbraw/zinc/63/73/34/490637334.db2.gz SDVSOGZZMXLPGD-INIZCTEOSA-N 0 3 359.430 0.771 20 30 FCEDHN CN(CCC#N)C[C@H](O)CNCc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000514856106 490793419 /nfs/dbraw/zinc/79/34/19/490793419.db2.gz QZOBFYKWCMPCEK-LJQANCHMSA-N 0 3 373.501 0.370 20 30 FCEDHN CN(CCC#N)C[C@@H](O)CNCc1cccc(N2CCCS2(=O)=O)c1 ZINC000514932514 490798111 /nfs/dbraw/zinc/79/81/11/490798111.db2.gz IYZOMEKIAURXFD-KRWDZBQOSA-N 0 3 366.487 0.522 20 30 FCEDHN CN(C)CCN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C1CC1 ZINC000505652704 490836349 /nfs/dbraw/zinc/83/63/49/490836349.db2.gz AEXOMXPHBKAECF-UHFFFAOYSA-N 0 3 364.471 0.731 20 30 FCEDHN C=CCNS(=O)(=O)c1ccc(C(=O)NCCOCCN(C)C)cc1 ZINC000540848655 490836570 /nfs/dbraw/zinc/83/65/70/490836570.db2.gz SJXAETDHVVAKNF-UHFFFAOYSA-N 0 3 355.460 0.459 20 30 FCEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000529720863 490866291 /nfs/dbraw/zinc/86/62/91/490866291.db2.gz CKVGMGYWQNRWLV-INIZCTEOSA-N 0 3 372.450 0.877 20 30 FCEDHN Cn1cc([C@@H]2NC(=O)CC[C@H]2NC[C@@H](O)COc2ccccc2C#N)cn1 ZINC000530236520 490895044 /nfs/dbraw/zinc/89/50/44/490895044.db2.gz UVJRJOYQEFSMRP-MDZRGWNJSA-N 0 3 369.425 0.641 20 30 FCEDHN Cn1cc([C@@H]2NC(=O)CC[C@H]2NC[C@H](O)COc2ccccc2C#N)cn1 ZINC000530236519 490895286 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C=CCc1ccccc1OC[C@@H](O)CNC[C@@H]1CS(=O)(=O)CCO1 ZINC000519636794 490980547 /nfs/dbraw/zinc/98/05/47/490980547.db2.gz GHNSUPXFTVHXDU-JKSUJKDBSA-N 0 3 355.456 0.558 20 30 FCEDHN CN1CC[C@](O)(CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000545147017 490988106 /nfs/dbraw/zinc/98/81/06/490988106.db2.gz DCURFYIZPJNMOD-INIZCTEOSA-N 0 3 368.340 0.281 20 30 FCEDHN N#Cc1ncn(CCNC(=O)NCC2CCN(Cc3ccncc3)CC2)n1 ZINC000595622157 491945523 /nfs/dbraw/zinc/94/55/23/491945523.db2.gz SVWNXUIETVNJGW-UHFFFAOYSA-N 0 3 368.445 0.756 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000562552242 491173408 /nfs/dbraw/zinc/17/34/08/491173408.db2.gz OIYQSHHVFLXAHY-ZBFHGGJFSA-N 0 3 365.455 0.546 20 30 FCEDHN CS(=O)(=O)N1CCC[C@@H]1CNC[C@@H](O)COc1ccc(C#N)cc1 ZINC000572953516 491403822 /nfs/dbraw/zinc/40/38/22/491403822.db2.gz JDYNJBSENJAGEQ-HUUCEWRRSA-N 0 3 353.444 0.312 20 30 FCEDHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNCc1cnc2c(C#N)cnn2c1 ZINC000566242785 491429705 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COC1CCN(C(C)(C)CNC(=O)C(=O)Nc2cccc(C#N)n2)CC1 ZINC000567500803 491510503 /nfs/dbraw/zinc/51/05/03/491510503.db2.gz LSIVPIARNDYLLZ-UHFFFAOYSA-N 0 3 359.430 0.897 20 30 FCEDHN COCCN(C)CCN1C[C@H](NC(=O)Cc2cccc(C#N)c2)CC1=O ZINC000567722002 491525171 /nfs/dbraw/zinc/52/51/71/491525171.db2.gz HLDRIVSTCNXZJR-QGZVFWFLSA-N 0 3 358.442 0.396 20 30 FCEDHN C=CCSCCNC(=O)C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000560672362 491552147 /nfs/dbraw/zinc/55/21/47/491552147.db2.gz DPRMWNGFDGAIDV-UHFFFAOYSA-N 0 3 368.547 0.508 20 30 FCEDHN N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H]3CNCCO3)C2)c(F)c1 ZINC000561158169 491578994 /nfs/dbraw/zinc/57/89/94/491578994.db2.gz YIHWTLFNYYGIKD-LSDHHAIUSA-N 0 3 361.421 0.954 20 30 FCEDHN CN1CCN(CCCCNCCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000584375869 491584874 /nfs/dbraw/zinc/58/48/74/491584874.db2.gz MRJNMQJNWRWZIG-UHFFFAOYSA-N 0 3 365.503 0.344 20 30 FCEDHN CC(C)N1CC[C@@H](N(C)C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000569086687 491632579 /nfs/dbraw/zinc/63/25/79/491632579.db2.gz 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ZINC000581281119 491766916 /nfs/dbraw/zinc/76/69/16/491766916.db2.gz NHTVTMSVUCCTBF-CQSZACIVSA-N 0 3 364.471 0.827 20 30 FCEDHN N#CCCC[C@@H](N)C(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000581367116 491770003 /nfs/dbraw/zinc/77/00/03/491770003.db2.gz JCVPIRLXSUAUID-MRXNPFEDSA-N 0 3 368.445 0.328 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](O)C2)cc1 ZINC000590610050 491781629 /nfs/dbraw/zinc/78/16/29/491781629.db2.gz HFIXJJLBDRSDJX-DGCLKSJQSA-N 0 3 365.411 0.294 20 30 FCEDHN C[C@@H](NC[C@H](O)CN(C)CCC#N)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000582236275 491803484 /nfs/dbraw/zinc/80/34/84/491803484.db2.gz KPPPOMXWUNFJLA-ZBFHGGJFSA-N 0 3 368.503 0.794 20 30 FCEDHN CNS(=O)(=O)Cc1ccc(CNC[C@H](O)CN(C)CCC#N)cc1 ZINC000591723847 491822660 /nfs/dbraw/zinc/82/26/60/491822660.db2.gz FWZUEDMPQFQXQB-INIZCTEOSA-N 0 3 354.476 0.032 20 30 FCEDHN CN1C(=O)NCC12CCN(C[C@@H](O)COc1ccc(CC#N)cc1)CC2 ZINC000591856319 491824527 /nfs/dbraw/zinc/82/45/27/491824527.db2.gz ILXJGGSKKAHUES-MRXNPFEDSA-N 0 3 358.442 0.982 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCN(c3cc(C)ccn3)CC2)CC1 ZINC000583571312 491847762 /nfs/dbraw/zinc/84/77/62/491847762.db2.gz OXIRBAAMHKOIOI-UHFFFAOYSA-N 0 3 371.485 0.805 20 30 FCEDHN C[C@@H](NC(=O)C(=O)N(CCN(C)C)CCN(C)C)c1ccc(C#N)cc1 ZINC000583743336 491851055 /nfs/dbraw/zinc/85/10/55/491851055.db2.gz HOIDHGKVDIEIIM-OAHLLOKOSA-N 0 3 359.474 0.687 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000584096566 491858445 /nfs/dbraw/zinc/85/84/45/491858445.db2.gz RTRFWPWGNLHYCR-CVEARBPZSA-N 0 3 350.463 0.670 20 30 FCEDHN COCCNS(=O)(=O)c1cccc(CNC[C@H](O)CC2(C#N)CC2)c1 ZINC000600721564 491878665 /nfs/dbraw/zinc/87/86/65/491878665.db2.gz BINWLDDBNPSIEW-OAHLLOKOSA-N 0 3 367.471 0.756 20 30 FCEDHN N#Cc1ccccc1OC[C@@H](O)CNCc1cccc(OCC(N)=O)c1 ZINC000600730883 491879163 /nfs/dbraw/zinc/87/91/63/491879163.db2.gz SSZVLKGFNGAQGM-INIZCTEOSA-N 0 3 355.394 0.952 20 30 FCEDHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN(CCC#N)CC1 ZINC000601536479 491932689 /nfs/dbraw/zinc/93/26/89/491932689.db2.gz UCHCCKPQZXLQQZ-LLVKDONJSA-N 0 3 371.381 0.732 20 30 FCEDHN C[C@@H](CNC(=O)C(=O)Nc1cc(F)cc(C#N)c1)CN1CCN(C)CC1 ZINC000602031553 491958145 /nfs/dbraw/zinc/95/81/45/491958145.db2.gz VXSQFPMXPGBBFZ-ZDUSSCGKSA-N 0 3 361.421 0.636 20 30 FCEDHN CCN1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(CCC#N)CC2)CC1=O ZINC000602208467 491968186 /nfs/dbraw/zinc/96/81/86/491968186.db2.gz OCGGGPQLPWTLDI-SJORKVTESA-N 0 3 361.490 0.377 20 30 FCEDHN COCCN(CCC#N)S(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000613832481 492001654 /nfs/dbraw/zinc/00/16/54/492001654.db2.gz LNDPVBBJXBHMRB-UHFFFAOYSA-N 0 3 357.480 0.612 20 30 FCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnn(C[C@H](O)CO)c1 ZINC000596828441 492001749 /nfs/dbraw/zinc/00/17/49/492001749.db2.gz JVUILQRCZAJPEB-SFHVURJKSA-N 0 3 371.441 0.312 20 30 FCEDHN CN(C)C[C@@H](CO)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000597653827 492056884 /nfs/dbraw/zinc/05/68/84/492056884.db2.gz NCGRQKUFTQIRNX-STQMWFEESA-N 0 3 364.833 0.603 20 30 FCEDHN CCCN1CC[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000598774932 492118037 /nfs/dbraw/zinc/11/80/37/492118037.db2.gz MLXHRDYOEALHST-AWEZNQCLSA-N 0 3 350.444 0.437 20 30 FCEDHN COCCNC(=O)C1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000599258001 492150145 /nfs/dbraw/zinc/15/01/45/492150145.db2.gz BWWBSCSFCZSSMH-QGZVFWFLSA-N 0 3 361.442 0.773 20 30 FCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N(C)CC1(C)COC1 ZINC000599395824 492167913 /nfs/dbraw/zinc/16/79/13/492167913.db2.gz KWVIKXVUOJKSPS-UHFFFAOYSA-N 0 3 372.469 0.943 20 30 FCEDHN CN1CCC(O)(CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000610148305 492236002 /nfs/dbraw/zinc/23/60/02/492236002.db2.gz HDCUVEQKBCDYNR-UHFFFAOYSA-N 0 3 358.442 0.999 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCO[C@H](C(N)=O)C2)cc1 ZINC000618905147 492242577 /nfs/dbraw/zinc/24/25/77/492242577.db2.gz ZBCVFEFBBSNYMJ-GWCFXTLKSA-N 0 3 366.399 0.090 20 30 FCEDHN CN1C(=O)N[C@]2(CCC[C@@H]2CN[C@H](C(N)=O)c2ccc(C#N)cc2)C1=O ZINC000610587209 492253288 /nfs/dbraw/zinc/25/32/88/492253288.db2.gz CXFRSGCVVUXFQL-GLJUWKHASA-N 0 3 355.398 0.395 20 30 FCEDHN CN(C)CCOc1cc(CNC(=O)NC2CCN(CC#N)CC2)ccn1 ZINC000611193855 492281002 /nfs/dbraw/zinc/28/10/02/492281002.db2.gz RPHACXXXVUTSCM-UHFFFAOYSA-N 0 3 360.462 0.809 20 30 FCEDHN N#Cc1ccccc1N1CCCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000611200754 492281100 /nfs/dbraw/zinc/28/11/00/492281100.db2.gz WJXKINKJUPNINY-IBGZPJMESA-N 0 3 353.470 0.987 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000644844623 492812985 /nfs/dbraw/zinc/81/29/85/492812985.db2.gz ZEHWDDGMVJTPJQ-WBVHZDCISA-N 0 3 358.442 0.828 20 30 FCEDHN C=CCCCCCN(C)C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652454875 492936844 /nfs/dbraw/zinc/93/68/44/492936844.db2.gz OPDVTYQNUMFLNX-UHFFFAOYSA-N 0 3 352.479 0.424 20 30 FCEDHN CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000646952756 493131564 /nfs/dbraw/zinc/13/15/64/493131564.db2.gz IJFCRHMGZWRGON-HNNXBMFYSA-N 0 3 361.442 0.764 20 30 FCEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CN(C)C(=O)[C@H]1C)C(C)C ZINC000646989204 493141894 /nfs/dbraw/zinc/14/18/94/493141894.db2.gz RMEMZPFZLRTOPY-CABCVRRESA-N 0 3 350.463 0.448 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CC[C@H](CN3CCCC3=O)C2)CC1 ZINC000668835702 493418023 /nfs/dbraw/zinc/41/80/23/493418023.db2.gz HWJYCHGBXUBLIJ-OAHLLOKOSA-N 0 3 362.474 0.224 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000672354888 493759017 /nfs/dbraw/zinc/75/90/17/493759017.db2.gz IDJGPFDZOQGAKJ-KRWDZBQOSA-N 0 3 364.490 0.076 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)NCCOC[C@H]2CCOC2)CC1 ZINC000672356896 493759209 /nfs/dbraw/zinc/75/92/09/493759209.db2.gz BZJXJLGYYKKEGJ-HNNXBMFYSA-N 0 3 353.463 0.312 20 30 FCEDHN C=CCc1cc(CNC(=O)C(=O)N2CCC[C@H]2CN)cc(OC)c1OC ZINC000419355630 534415332 /nfs/dbraw/zinc/41/53/32/534415332.db2.gz GMUNHOYNURQKLF-HNNXBMFYSA-N 0 3 361.442 0.998 20 30 FCEDHN C=CCn1cc(CNC(=O)C(=O)Nc2ccccc2CCN(C)C)nn1 ZINC000425795308 534452860 /nfs/dbraw/zinc/45/28/60/534452860.db2.gz HUPNRVPGNWMKMD-UHFFFAOYSA-N 0 3 356.430 0.823 20 30 FCEDHN C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](CN)C2CCCCC2)C1=O ZINC000419970298 534850748 /nfs/dbraw/zinc/85/07/48/534850748.db2.gz UICUARQTYQCJAV-LSDHHAIUSA-N 0 3 350.463 0.256 20 30 FCEDHN C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@](C)(O)CN(C)C)c1 ZINC000443738814 534865388 /nfs/dbraw/zinc/86/53/88/534865388.db2.gz MQMPQDNSXOTMDV-MRXNPFEDSA-N 0 3 355.460 0.193 20 30 FCEDHN C[NH+]=C(NCCNC(=O)c1ccc([O-])cc1)N1CC[C@H](N2CC=CC2)C1 ZINC000262805373 526359290 /nfs/dbraw/zinc/35/92/90/526359290.db2.gz SMMROPHGMJEWMH-INIZCTEOSA-N 0 3 357.458 0.644 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)N2CCN(CC(=O)NC(C)C)CC2)CC1 ZINC000106341218 526585286 /nfs/dbraw/zinc/58/52/86/526585286.db2.gz DMAZLCKZKBVXLG-UHFFFAOYSA-N 0 3 365.522 0.879 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)CC1 ZINC000089266516 526590719 /nfs/dbraw/zinc/59/07/19/526590719.db2.gz JQKPSYNDTHUKPS-JKSUJKDBSA-N 0 3 352.479 0.962 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000377648159 526931241 /nfs/dbraw/zinc/93/12/41/526931241.db2.gz WNYFRSBBPLLOAU-INIZCTEOSA-N 0 3 354.454 0.826 20 30 FCEDHN C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCCN(C)CCOC ZINC000266514241 527088453 /nfs/dbraw/zinc/08/84/53/527088453.db2.gz ANESKDNHIUUEMU-UHFFFAOYSA-N 0 3 365.405 0.861 20 30 FCEDHN C#CCOc1ccc(CN[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000178905719 527106707 /nfs/dbraw/zinc/10/67/07/527106707.db2.gz KVUOXOOIBAEAJF-SFHVURJKSA-N 0 3 357.454 0.721 20 30 FCEDHN C=CCC[C@@H](CO)NC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413616917 527428823 /nfs/dbraw/zinc/42/88/23/527428823.db2.gz JDYAPFTUMZTOPQ-INIZCTEOSA-N 0 3 354.495 0.409 20 30 FCEDHN CCC[NH+]1CCC(NC(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000328815606 528180852 /nfs/dbraw/zinc/18/08/52/528180852.db2.gz GJCUXFKUYCGMDC-UHFFFAOYSA-N 0 3 357.480 0.838 20 30 FCEDHN CCN(CCC#N)S(=O)(=O)NC1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000409496743 528385328 /nfs/dbraw/zinc/38/53/28/528385328.db2.gz AENRZGIMCYVSTK-JKSUJKDBSA-N 0 3 358.508 0.824 20 30 FCEDHN CCN(CCC#N)S(=O)(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000409491294 528390753 /nfs/dbraw/zinc/39/07/53/528390753.db2.gz ONKKZZFRAGGJPB-QGZVFWFLSA-N 0 3 366.487 0.823 20 30 FCEDHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000175948171 529150622 /nfs/dbraw/zinc/15/06/22/529150622.db2.gz ALSMJQSFMZHWCO-ZDUSSCGKSA-N 0 3 361.421 0.778 20 30 FCEDHN CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H](N)CCCC#N)CC2 ZINC000424121390 536114935 /nfs/dbraw/zinc/11/49/35/536114935.db2.gz FZQYSCLZSLBEPH-CQSZACIVSA-N 0 3 350.444 0.847 20 30 FCEDHN O=C(NCCS(=O)(=O)N1CCSCC1)N[C@@H]1CCN(C2CC2)C1 ZINC000329435382 546554539 /nfs/dbraw/zinc/55/45/39/546554539.db2.gz IUFQREBPEZZPFM-GFCCVEGCSA-N 0 3 362.521 0.105 20 30 FCEDHN C[C@H](N[C@@H](CC(N)=O)C1CCOCC1)C(=O)NC1(C#N)CCCCC1 ZINC000181942406 546569664 /nfs/dbraw/zinc/56/96/64/546569664.db2.gz NCYCEBAIJZHHQG-ZFWWWQNUSA-N 0 3 350.463 0.978 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)COc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000592313493 546628414 /nfs/dbraw/zinc/62/84/14/546628414.db2.gz XULUHVHWXIVZOR-UHFFFAOYSA-N 0 3 367.471 0.870 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](F)C2)cc1 ZINC000593637230 546733447 /nfs/dbraw/zinc/73/34/47/546733447.db2.gz DZFRPHBVAXHQRM-WDEREUQCSA-N 0 3 353.375 0.881 20 30 FCEDHN CN(C)[C@@]1(CNCCS(=O)(=O)c2ccc(C#N)cn2)CCSC1 ZINC000591747725 546940038 /nfs/dbraw/zinc/94/00/38/546940038.db2.gz DMOBJOXKDHHNHY-OAHLLOKOSA-N 0 3 354.501 0.754 20 30 FCEDHN CN(CCN1CCCCC1)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000593900931 546994056 /nfs/dbraw/zinc/99/40/56/546994056.db2.gz XZPKWIBATZJAJB-UHFFFAOYSA-N 0 3 364.471 0.781 20 30 FCEDHN C=CCSCCNC(=O)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000552193181 547194764 /nfs/dbraw/zinc/19/47/64/547194764.db2.gz YYJABPMUXSPIRI-HOTGVXAUSA-N 0 3 368.547 0.506 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC(OCCOC)CC2)CC1 ZINC000553329472 547269722 /nfs/dbraw/zinc/26/97/22/547269722.db2.gz ILQLDOMYGFTSKM-UHFFFAOYSA-N 0 3 353.463 0.407 20 30 FCEDHN C#CCNC(=O)C1CCN(Cc2cc(-c3nn[nH]n3)ccc2OC)CC1 ZINC000823849905 607522059 /nfs/dbraw/zinc/52/20/59/607522059.db2.gz CBQIEDSPBHDOHV-UHFFFAOYSA-N 0 3 354.414 0.837 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)CC1 ZINC000892852327 664150238 /nfs/dbraw/zinc/15/02/38/664150238.db2.gz XNFJETKQGVFVEY-OAHLLOKOSA-N 0 3 359.492 0.482 20 30 FCEDHN CC(C)[NH2+][C@@H]1CCCN(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000728605623 665153726 /nfs/dbraw/zinc/15/37/26/665153726.db2.gz GFVSELHYJTVGMS-CYBMUJFWSA-N 0 3 364.471 0.714 20 30 FCEDHN CCOCCCNC(=O)C(C#N)C(=O)C1CCN(C(=O)N(C)C)CC1 ZINC000916866818 667033959 /nfs/dbraw/zinc/03/39/59/667033959.db2.gz ICOKBPUFSOMLIH-CQSZACIVSA-N 0 3 352.435 0.632 20 30 FCEDHN N#Cc1c(N2CCN(C[C@H]3CCOC3)CC2)cccc1S(N)(=O)=O ZINC000755003306 667620263 /nfs/dbraw/zinc/62/02/63/667620263.db2.gz RJMGEGFBVVAOSF-CYBMUJFWSA-N 0 3 350.444 0.364 20 30 FCEDHN C#C[C@@H](NCCC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@H]1CCCO1 ZINC000839564590 667701033 /nfs/dbraw/zinc/70/10/33/667701033.db2.gz RRCDKFPKGVTIFS-HUUCEWRRSA-N 0 3 351.428 0.433 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC[C@@H](C3OCCO3)C2)CC1 ZINC000804892557 668052557 /nfs/dbraw/zinc/05/25/57/668052557.db2.gz UOGJXTVWICHEIC-CQSZACIVSA-N 0 3 351.447 0.365 20 30 FCEDHN CN(CC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1)S(C)(=O)=O ZINC000786532825 668763877 /nfs/dbraw/zinc/76/38/77/668763877.db2.gz ARIPQVOUWPRXBZ-LBPRGKRZSA-N 0 3 357.819 0.556 20 30 FCEDHN COCCNC(=O)C(C#N)C(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000789343594 668854934 /nfs/dbraw/zinc/85/49/34/668854934.db2.gz MNYNRZMXJDKURB-NWDGAFQWSA-N 0 3 351.403 0.715 20 30 FCEDHN C#CCN(C)CCCNC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 ZINC000818606121 668920420 /nfs/dbraw/zinc/92/04/20/668920420.db2.gz DQNPSRWSZDORTD-UHFFFAOYSA-N 0 3 365.455 0.066 20 30 FCEDHN CC(C)NS(=O)(=O)c1ccc(N=NC2CCN(CCO)CC2)nc1 ZINC000819806376 669030746 /nfs/dbraw/zinc/03/07/46/669030746.db2.gz RANKNFZQWBLTGL-UHFFFAOYSA-N 0 3 355.464 0.624 20 30 FCEDHN 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1201393214 /nfs/dbraw/zinc/39/32/14/1201393214.db2.gz YUSMIMPVYUDHJX-XHSDSOJGSA-N 0 3 362.474 0.011 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1n1ccnn1 ZINC001129778037 1201395702 /nfs/dbraw/zinc/39/57/02/1201395702.db2.gz KHNKVAQJRTVOTE-CVEARBPZSA-N 0 3 355.402 0.336 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2nn(C)cc2C)C[C@@H]1n1ccnn1 ZINC001129816601 1201401001 /nfs/dbraw/zinc/40/10/01/1201401001.db2.gz FFJQYBLFRSJOOI-CABCVRRESA-N 0 3 359.434 0.178 20 30 FCEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001086625447 1201405521 /nfs/dbraw/zinc/40/55/21/1201405521.db2.gz AWKNTZVSBVRKMR-DLBZAZTESA-N 0 3 352.438 0.945 20 30 FCEDHN C#CCOCCC(=O)N1C[C@@H](NCCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001129838390 1201410427 /nfs/dbraw/zinc/41/04/27/1201410427.db2.gz WOAAXLPXXAXLMK-SJORKVTESA-N 0 3 361.446 0.086 20 30 FCEDHN C=CCC(CC=C)C(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129867859 1201417168 /nfs/dbraw/zinc/41/71/68/1201417168.db2.gz ZCZSZDYDXXJTQE-SJORKVTESA-N 0 3 363.462 0.397 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H](C)NC(=O)C2CCCC2)C[C@@H]1n1ccnn1 ZINC001129867243 1201417266 /nfs/dbraw/zinc/41/72/66/1201417266.db2.gz PNJIYTQOQNBANA-IMJJTQAJSA-N 0 3 360.462 0.501 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2CC)C[C@@H]1n1ccnn1 ZINC001129941039 1201438994 /nfs/dbraw/zinc/43/89/94/1201438994.db2.gz GQDFCPJKOCCKTI-NCOADZHNSA-N 0 3 363.462 0.637 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCc3nc(C)[nH]c3C2)C[C@@H]1n1ccnn1 ZINC001129918968 1201440646 /nfs/dbraw/zinc/44/06/46/1201440646.db2.gz NPPFQSUMZVZKJN-OLMNPRSZSA-N 0 3 367.457 0.480 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C[C@@H]1n1ccnn1 ZINC001129918968 1201440648 /nfs/dbraw/zinc/44/06/48/1201440648.db2.gz NPPFQSUMZVZKJN-OLMNPRSZSA-N 0 3 367.457 0.480 20 30 FCEDHN C#CCCCCCC(=O)N1C[C@@H](NCCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001129963791 1201452513 /nfs/dbraw/zinc/45/25/13/1201452513.db2.gz GBSPKGUNCUIOKZ-SJORKVTESA-N 0 3 370.461 0.495 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2[nH]c(C)nc2C)C[C@@H]1n1ccnn1 ZINC001130009595 1201477688 /nfs/dbraw/zinc/47/76/88/1201477688.db2.gz XBKWXDHCKZXEAT-CABCVRRESA-N 0 3 359.434 0.476 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)CCc2cnccn2)C[C@@H]1n1ccnn1 ZINC001130070648 1201490886 /nfs/dbraw/zinc/49/08/86/1201490886.db2.gz CLXBBZULJZJZGW-SJORKVTESA-N 0 3 371.445 0.245 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H](c2ccccc2)N(C)CC)C[C@@H]1n1ccnn1 ZINC001130083698 1201493549 /nfs/dbraw/zinc/49/35/49/1201493549.db2.gz GENWXFGZRBPTKY-CEXWTWQISA-N 0 3 366.469 0.946 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CNC(=O)Cc2ccccc2)C[C@@H]1n1ccnn1 ZINC001130112608 1201505166 /nfs/dbraw/zinc/50/51/66/1201505166.db2.gz ITJCHXGDONXGQO-SJORKVTESA-N 0 3 368.441 0.165 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c2ccccc2)C[C@@H]1n1ccnn1 ZINC001130115120 1201505696 /nfs/dbraw/zinc/50/56/96/1201505696.db2.gz VHOCGQTYBUKVHJ-OIISXLGYSA-N 0 3 368.441 0.624 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H](CCC(C)C)NC(C)=O)C[C@@H]1n1ccnn1 ZINC001130163463 1201520572 /nfs/dbraw/zinc/52/05/72/1201520572.db2.gz LFEHGEAOCRMABI-BBWFWOEESA-N 0 3 362.478 0.747 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H]2CCOC2)[n-]1 ZINC001130198584 1201534739 /nfs/dbraw/zinc/53/47/39/1201534739.db2.gz PQWXXSLJUATZPG-ILXRZTDVSA-N 0 3 361.446 0.333 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[C@@H]2CCCO2)[n-]1 ZINC001130184826 1201537226 /nfs/dbraw/zinc/53/72/26/1201537226.db2.gz HXUMKWZHLQXZLR-KKUMJFAQSA-N 0 3 361.446 0.475 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(CC)n[nH]2)[n-]1 ZINC001130184610 1201537853 /nfs/dbraw/zinc/53/78/53/1201537853.db2.gz BUIPAZONRHURKV-ZFWWWQNUSA-N 0 3 371.445 0.506 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC2CC(F)(F)C2)[n-]1 ZINC001130220497 1201542912 /nfs/dbraw/zinc/54/29/12/1201542912.db2.gz ANQFZGNYCITOKM-STQMWFEESA-N 0 3 367.400 0.952 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)c2cncnc2)[n-]1 ZINC001130234657 1201558313 /nfs/dbraw/zinc/55/83/13/1201558313.db2.gz GREMQUPQBKZLOQ-QEJZJMRPSA-N 0 3 369.429 0.110 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C(F)F)CCC2)[n-]1 ZINC001130234708 1201558987 /nfs/dbraw/zinc/55/89/87/1201558987.db2.gz ISMCXXLTLITNBS-RYUDHWBXSA-N 0 3 367.400 0.952 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2[nH]c(C)nc2C)[n-]1 ZINC001130238212 1201561071 /nfs/dbraw/zinc/56/10/71/1201561071.db2.gz ZGJYMAJJNDKDID-STQMWFEESA-N 0 3 357.418 0.170 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(CC#CC)CC1 ZINC001130290696 1201578326 /nfs/dbraw/zinc/57/83/26/1201578326.db2.gz KHCSDDYGCVEADU-SUMDDJOVSA-N 0 3 359.470 0.523 20 30 FCEDHN CN(C)[C@@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(CC#N)CC1)C1CC1 ZINC001130292790 1201578686 /nfs/dbraw/zinc/57/86/86/1201578686.db2.gz BNVVWKBLSGNHMF-BPQIPLTHSA-N 0 3 361.490 0.326 20 30 FCEDHN C#C[C@H](NC(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1)[C@H]1CCCO1 ZINC000805943360 1201591005 /nfs/dbraw/zinc/59/10/05/1201591005.db2.gz VBYMSVMLZJFMSC-RYQLBKOJSA-N 0 3 357.454 0.920 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCc2cncn2C)C1 ZINC001130592919 1202726665 /nfs/dbraw/zinc/72/66/65/1202726665.db2.gz LMOFPJLQFXDMJT-UWWQBHOKSA-N 0 3 370.457 0.276 20 30 FCEDHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCCNc1ccc(C#N)cn1 ZINC000806330022 1202726999 /nfs/dbraw/zinc/72/69/99/1202726999.db2.gz YCXWPWBIROWIIL-HNNXBMFYSA-N 0 3 358.446 0.472 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CNC(=O)C2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130599238 1202728384 /nfs/dbraw/zinc/72/83/84/1202728384.db2.gz OHILXXWWPUDTFI-DOTOQJQBSA-N 0 3 359.474 0.797 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CNC(=O)c2cccnc2)C[C@H]1c1cn(C)cn1 ZINC001130680115 1202751385 /nfs/dbraw/zinc/75/13/85/1202751385.db2.gz ADSWLMDGQHUJHU-DOTOQJQBSA-N 0 3 368.441 0.315 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnc(C)cn3)n[n-]2)O1 ZINC001130753028 1202776676 /nfs/dbraw/zinc/77/66/76/1202776676.db2.gz NIWCCFOATZNVNS-GXTWGEPZSA-N 0 3 355.402 0.276 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cnc(C)cn3)n2)O1 ZINC001130753028 1202776680 /nfs/dbraw/zinc/77/66/80/1202776680.db2.gz NIWCCFOATZNVNS-GXTWGEPZSA-N 0 3 355.402 0.276 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3c(C)noc3C)n[n-]2)O1 ZINC001130756748 1202779686 /nfs/dbraw/zinc/77/96/86/1202779686.db2.gz YKYQFOTUNFVMJQ-QWHCGFSZSA-N 0 3 358.402 0.782 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3c(C)noc3C)n2)O1 ZINC001130756748 1202779692 /nfs/dbraw/zinc/77/96/92/1202779692.db2.gz YKYQFOTUNFVMJQ-QWHCGFSZSA-N 0 3 358.402 0.782 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C)on3)n[n-]2)O1 ZINC001130758051 1202780634 /nfs/dbraw/zinc/78/06/34/1202780634.db2.gz OWGNVVJKVQIISA-GXTWGEPZSA-N 0 3 358.402 0.864 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cc(C)on3)n2)O1 ZINC001130758051 1202780639 /nfs/dbraw/zinc/78/06/39/1202780639.db2.gz OWGNVVJKVQIISA-GXTWGEPZSA-N 0 3 358.402 0.864 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(C#N)[nH]3)n[n-]2)O1 ZINC001130774836 1202783226 /nfs/dbraw/zinc/78/32/26/1202783226.db2.gz DMRGLQBPOMDBIM-DZGCQCFKSA-N 0 3 367.413 0.767 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C#N)c[nH]3)n[n-]2)O1 ZINC001130769613 1202786826 /nfs/dbraw/zinc/78/68/26/1202786826.db2.gz MDOPAOMDNHGRBS-DZGCQCFKSA-N 0 3 367.413 0.767 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cc(C#N)c[nH]3)n2)O1 ZINC001130769613 1202786830 /nfs/dbraw/zinc/78/68/30/1202786830.db2.gz MDOPAOMDNHGRBS-DZGCQCFKSA-N 0 3 367.413 0.767 20 30 FCEDHN CC=C(C)C(=O)NCc1n[n-]c([C@H]2CC[C@@H](C[NH2+]CC#CCOC)O2)n1 ZINC001130772348 1202787669 /nfs/dbraw/zinc/78/76/69/1202787669.db2.gz IMSSIVBVAOOFLM-SJGINSCTSA-N 0 3 361.446 0.847 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C)ncn3)n[n-]2)O1 ZINC001130776969 1202791177 /nfs/dbraw/zinc/79/11/77/1202791177.db2.gz OZEFCFGEIWJJRJ-GXTWGEPZSA-N 0 3 355.402 0.276 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cc(C)ncn3)n2)O1 ZINC001130776969 1202791178 /nfs/dbraw/zinc/79/11/78/1202791178.db2.gz OZEFCFGEIWJJRJ-GXTWGEPZSA-N 0 3 355.402 0.276 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3CC(OCC)C3)n[n-]2)O1 ZINC001130778457 1202792160 /nfs/dbraw/zinc/79/21/60/1202792160.db2.gz YXUARKPARLDPSF-OOJKYFRXSA-N 0 3 361.446 0.679 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)C3CC(OCC)C3)n2)O1 ZINC001130778457 1202792162 /nfs/dbraw/zinc/79/21/62/1202792162.db2.gz YXUARKPARLDPSF-OOJKYFRXSA-N 0 3 361.446 0.679 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CCCOCC3)n[n-]2)O1 ZINC001130781294 1202792884 /nfs/dbraw/zinc/79/28/84/1202792884.db2.gz XDEVFAULSNAUDP-SOUVJXGZSA-N 0 3 361.446 0.681 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@H]3CCCOCC3)n2)O1 ZINC001130781294 1202792888 /nfs/dbraw/zinc/79/28/88/1202792888.db2.gz XDEVFAULSNAUDP-SOUVJXGZSA-N 0 3 361.446 0.681 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3c(C)cnn3C)n[n-]2)O1 ZINC001130796122 1202796559 /nfs/dbraw/zinc/79/65/59/1202796559.db2.gz IVULEUNBSZXXRL-UONOGXRCSA-N 0 3 371.445 0.610 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3c(C)cnn3C)n2)O1 ZINC001130796122 1202796560 /nfs/dbraw/zinc/79/65/60/1202796560.db2.gz IVULEUNBSZXXRL-UONOGXRCSA-N 0 3 371.445 0.610 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCc3ccon3)n[n-]2)O1 ZINC001130792656 1202800303 /nfs/dbraw/zinc/80/03/03/1202800303.db2.gz PXMGYGPJCIYHEC-UONOGXRCSA-N 0 3 358.402 0.485 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)CCc3ccon3)n2)O1 ZINC001130792656 1202800306 /nfs/dbraw/zinc/80/03/06/1202800306.db2.gz PXMGYGPJCIYHEC-UONOGXRCSA-N 0 3 358.402 0.485 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CC[C@@H](C)O3)n[n-]2)O1 ZINC001130806771 1202801124 /nfs/dbraw/zinc/80/11/24/1202801124.db2.gz KYNDCHLTSNYJSQ-LXTVHRRPSA-N 0 3 361.446 0.821 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@H]3CC[C@@H](C)O3)n2)O1 ZINC001130806771 1202801129 /nfs/dbraw/zinc/80/11/29/1202801129.db2.gz KYNDCHLTSNYJSQ-LXTVHRRPSA-N 0 3 361.446 0.821 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccn(CC)n3)n[n-]2)O1 ZINC001130809313 1202802261 /nfs/dbraw/zinc/80/22/61/1202802261.db2.gz QXUYBRLOBPCUOY-DZGCQCFKSA-N 0 3 371.445 0.784 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3ccn(CC)n3)n2)O1 ZINC001130809313 1202802263 /nfs/dbraw/zinc/80/22/63/1202802263.db2.gz QXUYBRLOBPCUOY-DZGCQCFKSA-N 0 3 371.445 0.784 20 30 FCEDHN C=CCOCC(=O)N1C[C@@H](c2cncn2C)[C@H](NCc2cnc(C)nc2)C1 ZINC001130948567 1202826024 /nfs/dbraw/zinc/82/60/24/1202826024.db2.gz QXIOQQAEIJGVHN-IAGOWNOFSA-N 0 3 370.457 0.805 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)COCc2cc[nH]c(=O)c2)C[C@H]1c1cncn1C ZINC001131017754 1202843174 /nfs/dbraw/zinc/84/31/74/1202843174.db2.gz JRNWHZLWPBVUBH-HZPDHXFCSA-N 0 3 369.425 0.255 20 30 FCEDHN 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/nfs/dbraw/zinc/57/59/20/1218575920.db2.gz UMMOVIOBWLBHCT-SQNIBIBYSA-N 0 3 355.486 0.987 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)c1ccoc1 ZINC001226393221 1225842299 /nfs/dbraw/zinc/84/22/99/1225842299.db2.gz KCAJYPBQGXANNR-HUUCEWRRSA-N 0 3 362.430 0.329 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Cn1ccc(C)n1 ZINC001226442692 1225844206 /nfs/dbraw/zinc/84/42/06/1225844206.db2.gz ZHOBBLVZECQVKI-USXIJHARSA-N 0 3 359.474 0.594 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCc1cnn(C)c1C ZINC001226490791 1225845558 /nfs/dbraw/zinc/84/55/58/1225845558.db2.gz NRNKMGIYEITGHJ-IAGOWNOFSA-N 0 3 361.490 0.980 20 30 FCEDHN C#CCN1CCN(C(=O)CN2CC[C@@H](CN(CC)CC(F)(F)F)C2)CC1 ZINC000748824118 1218826134 /nfs/dbraw/zinc/82/61/34/1218826134.db2.gz HIYHBWYRFFMFJV-INIZCTEOSA-N 0 3 374.451 0.970 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)N(C)CC)CC1 ZINC001111455300 1218847470 /nfs/dbraw/zinc/84/74/70/1218847470.db2.gz WVCXQXLXPVFRMZ-KURKYZTESA-N 0 3 360.502 0.531 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1(CC#C)CCOCC1 ZINC001226697159 1225852442 /nfs/dbraw/zinc/85/24/42/1225852442.db2.gz SMVZLZLOLCGPLP-IAGOWNOFSA-N 0 3 359.470 0.573 20 30 FCEDHN C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001111456715 1218881587 /nfs/dbraw/zinc/88/15/87/1218881587.db2.gz RMCSTLXAWFMENZ-QRQLOZEOSA-N 0 3 368.481 0.833 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnc2nccnc2c1 ZINC001226837241 1225855651 /nfs/dbraw/zinc/85/56/51/1225855651.db2.gz BSCUUQCWBXZEJH-HUUCEWRRSA-N 0 3 366.425 0.405 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cncc2ncn(C)c21 ZINC001226878979 1225856370 /nfs/dbraw/zinc/85/63/70/1225856370.db2.gz UOFWRKUZWZCLIK-HUUCEWRRSA-N 0 3 368.441 0.348 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1CC(OC)C1 ZINC001226956474 1225858950 /nfs/dbraw/zinc/85/89/50/1225858950.db2.gz AREBYMKMZAULDM-NEXFUWMNSA-N 0 3 366.462 0.440 20 30 FCEDHN CCCCCCCN1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2C(C(N)=O)=NO[C@@H]2C1 ZINC001277173071 1225860475 /nfs/dbraw/zinc/86/04/75/1225860475.db2.gz PWOAIIOMILLDNR-ZQDZILKHSA-N 0 3 366.462 0.091 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1cnccc1OC ZINC001227028853 1225861290 /nfs/dbraw/zinc/86/12/90/1225861290.db2.gz PJKVMRSDAPFFQO-HZPDHXFCSA-N 0 3 360.458 0.952 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2cc(C)nc2C1 ZINC001227048366 1225861655 /nfs/dbraw/zinc/86/16/55/1225861655.db2.gz VOWFHZPCYACHOI-BRWVUGGUSA-N 0 3 371.485 0.520 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC001227039615 1225861934 /nfs/dbraw/zinc/86/19/34/1225861934.db2.gz XYJCGYFHJUGWMV-BZUAXINKSA-N 0 3 371.485 0.845 20 30 FCEDHN CN(C)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)cn1 ZINC001227233197 1225867413 /nfs/dbraw/zinc/86/74/13/1225867413.db2.gz RANRSFNHMUDYSP-HUUCEWRRSA-N 0 3 358.446 0.418 20 30 FCEDHN C[C@H](NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1cccc(C#N)c1 ZINC000804058561 1219112502 /nfs/dbraw/zinc/11/25/02/1219112502.db2.gz FHAWEDGOYZHTET-XKQJLSEDSA-N 0 3 356.426 0.715 20 30 FCEDHN N#Cc1ccc(F)c(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000804058822 1219112659 /nfs/dbraw/zinc/11/26/59/1219112659.db2.gz GHVCCJUTUWXCDH-LSDHHAIUSA-N 0 3 360.389 0.293 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cncc2[nH]ccc21 ZINC001227281533 1225869649 /nfs/dbraw/zinc/86/96/49/1225869649.db2.gz PUCNANHNKSOWGY-HZPDHXFCSA-N 0 3 353.426 0.943 20 30 FCEDHN C=CC[N@@H+]1C[C@@H](NC(=O)c2[n-]nnc2-c2ccccc2)[C@@H](n2ccnn2)C1 ZINC001070103908 1219179132 /nfs/dbraw/zinc/17/91/32/1219179132.db2.gz RVXONBJWHJFZHE-CABCVRRESA-N 0 3 364.413 0.905 20 30 FCEDHN C=CC[N@H+]1C[C@@H](NC(=O)c2[n-]nnc2-c2ccccc2)[C@@H](n2ccnn2)C1 ZINC001070103908 1219179136 /nfs/dbraw/zinc/17/91/36/1219179136.db2.gz RVXONBJWHJFZHE-CABCVRRESA-N 0 3 364.413 0.905 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)[C@@H](CC)N(C)C)CCOCC1 ZINC001070157996 1219244156 /nfs/dbraw/zinc/24/41/56/1219244156.db2.gz SMXBMPFGZQJARR-OAGGEKHMSA-N 0 3 367.490 0.699 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1cc(CC)nn1C ZINC001227636527 1225879977 /nfs/dbraw/zinc/87/99/77/1225879977.db2.gz AJWJRENPSBNATJ-IAGOWNOFSA-N 0 3 359.474 0.291 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001227655031 1225881199 /nfs/dbraw/zinc/88/11/99/1225881199.db2.gz BTQDPYFOWGWKNH-KLHDSHLOSA-N 0 3 357.458 0.290 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cnc3[nH]c(C)nc3c2)C[C@@H]1n1ccnn1 ZINC001070206494 1219292950 /nfs/dbraw/zinc/29/29/50/1219292950.db2.gz DGOLENWDKZPILL-CABCVRRESA-N 0 3 352.402 0.699 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)COc2c(C)occc2=O)C[C@@H]1n1ccnn1 ZINC001070230573 1219309323 /nfs/dbraw/zinc/30/93/23/1219309323.db2.gz WEYSGLNKLPZYON-KGLIPLIRSA-N 0 3 359.386 0.146 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2CCc3nncn3CC2)C[C@@H]1n1ccnn1 ZINC001070237918 1219312645 /nfs/dbraw/zinc/31/26/45/1219312645.db2.gz TWQYMQGHAMWNHY-KFWWJZLASA-N 0 3 356.434 0.050 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cnc3c(c2)ncn3C)C[C@@H]1n1ccnn1 ZINC001070247899 1219317901 /nfs/dbraw/zinc/31/79/01/1219317901.db2.gz JSZMQIWNBHAQID-CABCVRRESA-N 0 3 352.402 0.401 20 30 FCEDHN C=CC(C)(C)C(=O)N1C[C@@H](NCCN2CCCC2=O)[C@@H](n2ccnn2)C1 ZINC001070250842 1219320233 /nfs/dbraw/zinc/32/02/33/1219320233.db2.gz VZUYRNYBBKATIV-CABCVRRESA-N 0 3 360.462 0.454 20 30 FCEDHN CC(C)(C)N1CC[C@@](F)(C(=O)N2C[C@@H](NCC#N)[C@@H](n3ccnn3)C2)C1 ZINC001070275285 1219342644 /nfs/dbraw/zinc/34/26/44/1219342644.db2.gz DMCVYYANEYTSSE-KEYYUXOJSA-N 0 3 363.441 0.356 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CN2C(=O)Cc3ccccc32)C[C@@H]1n1ccnn1 ZINC001070282486 1219347158 /nfs/dbraw/zinc/34/71/58/1219347158.db2.gz IUAQRWMZMHXHEP-WBVHZDCISA-N 0 3 366.425 0.395 20 30 FCEDHN C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@@H]1n1ccnn1 ZINC001070325854 1219376733 /nfs/dbraw/zinc/37/67/33/1219376733.db2.gz VYKGBWMOHLQNQN-CVEARBPZSA-N 0 3 371.445 0.551 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CN2CCc3ccccc32)C[C@@H]1n1ccnn1 ZINC001070327934 1219378209 /nfs/dbraw/zinc/37/82/09/1219378209.db2.gz JZUUEMYTJLFEAJ-AEFFLSMTSA-N 0 3 352.442 0.868 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@H](c2ccccc2)N(C)C)C[C@@H]1n1ccnn1 ZINC001070333628 1219382969 /nfs/dbraw/zinc/38/29/69/1219382969.db2.gz KTYJVHVLCMQXFF-SQNIBIBYSA-N 0 3 352.442 0.556 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccccc2-n2ccnn2)C[C@@H]1n1ccnn1 ZINC001070339061 1219386972 /nfs/dbraw/zinc/38/69/72/1219386972.db2.gz CVBITAQFOHPXGI-WBVHZDCISA-N 0 3 364.413 0.700 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cc[n+]([O-])cc2)CC1 ZINC001070363639 1219397076 /nfs/dbraw/zinc/39/70/76/1219397076.db2.gz XVOVDDIHNBWFLA-MJGOQNOKSA-N 0 3 370.453 0.432 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@@H]2CCNC2=O)CC1 ZINC001070372786 1219402266 /nfs/dbraw/zinc/40/22/66/1219402266.db2.gz HAHQNULWOCSBTP-DAYGRLMNSA-N 0 3 362.474 0.174 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CCCNC2=O)CC1 ZINC001070373076 1219403138 /nfs/dbraw/zinc/40/31/38/1219403138.db2.gz XVWJXOYFHJMMIX-INMHGKMJSA-N 0 3 362.474 0.174 20 30 FCEDHN C[C@@H](C#N)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCCN2CCCC2=O)C1 ZINC001070475311 1219426182 /nfs/dbraw/zinc/42/61/82/1219426182.db2.gz NCHICGZMXIYGCY-OFQRWUPVSA-N 0 3 358.446 0.086 20 30 FCEDHN Cc1nc(C)n(CCN[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2c2cn(C)cn2)n1 ZINC001070476320 1219427078 /nfs/dbraw/zinc/42/70/78/1219427078.db2.gz HLDDXZFTCPIGQC-YLQAJVPDSA-N 0 3 370.461 0.372 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccnn2CCOC)C[C@H]1c1cn(C)cn1 ZINC001070504119 1219442907 /nfs/dbraw/zinc/44/29/07/1219442907.db2.gz DNOVLMWNZDMQQE-GOEBONIOSA-N 0 3 358.446 0.647 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cn(C)nc2COC)C[C@H]1c1cn(C)cn1 ZINC001070506504 1219444328 /nfs/dbraw/zinc/44/43/28/1219444328.db2.gz DQQPFIIGMZZXQF-XJKSGUPXSA-N 0 3 358.446 0.684 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCC)C2)C[C@H]1c1cn(C)cn1 ZINC001070541219 1219459677 /nfs/dbraw/zinc/45/96/77/1219459677.db2.gz QIXRIRBOFAGISD-YQQAZPJKSA-N 0 3 359.474 0.749 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2c(C)nn(C)c2OC)C[C@H]1c1cn(C)cn1 ZINC001070540773 1219459869 /nfs/dbraw/zinc/45/98/69/1219459869.db2.gz ILNXLCRAYDIYBP-DZGCQCFKSA-N 0 3 358.446 0.854 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cn2c(C)cc(C)nc2=O)C[C@H]1c1cn(C)cn1 ZINC001070549502 1219464546 /nfs/dbraw/zinc/46/45/46/1219464546.db2.gz IISXTJMHCNBUDY-DOTOQJQBSA-N 0 3 370.457 0.364 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@]2(C)CCN(C(C)=O)C2)C[C@H]1c1cn(C)cn1 ZINC001070552808 1219466222 /nfs/dbraw/zinc/46/62/22/1219466222.db2.gz LHHSMPGKKMKJNE-KVSKMBFKSA-N 0 3 359.474 0.749 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C[C@@H]2CCCCC(=O)N2)C[C@H]1c1cn(C)cn1 ZINC001070558879 1219468850 /nfs/dbraw/zinc/46/88/50/1219468850.db2.gz WOKLDTNJVQSXRM-YQQAZPJKSA-N 0 3 359.474 0.939 20 30 FCEDHN C=CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@H]2CCO[C@H]2C(=C)C)n1 ZINC001070589602 1219479679 /nfs/dbraw/zinc/47/96/79/1219479679.db2.gz GWANOSQZZQHCIL-DZKIICNBSA-N 0 3 361.446 0.961 20 30 FCEDHN C=CCN1CCOC[C@H]1c1nc(CNC(=O)[C@H]2CCO[C@H]2C(=C)C)n[nH]1 ZINC001070589602 1219479682 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C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccncc2)C[C@H]1NCC(=O)NCC#N ZINC001215054489 1223968713 /nfs/dbraw/zinc/96/87/13/1223968713.db2.gz FVMLSXSNGPCBLN-IUODEOHRSA-N 0 3 367.413 0.162 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cncc3[nH]ccc32)C[C@H]1C ZINC001215062870 1223969366 /nfs/dbraw/zinc/96/93/66/1223969366.db2.gz MMTIJBLWEYBUGB-PBFPGSCMSA-N 0 3 353.426 0.751 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnn3c2OCCC3)C[C@H]1C ZINC001215063091 1223970081 /nfs/dbraw/zinc/97/00/81/1223970081.db2.gz WQOIESJBYDHCTK-VNHYZAJKSA-N 0 3 361.446 0.406 20 30 FCEDHN COc1ccc(CC(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)cc1F ZINC001215085899 1223971964 /nfs/dbraw/zinc/97/19/64/1223971964.db2.gz KNCMYCZKVFDPRM-IUODEOHRSA-N 0 3 362.405 0.453 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)CCc2cncc(OC)c2)C[C@H]1C ZINC001215110764 1223973810 /nfs/dbraw/zinc/97/38/10/1223973810.db2.gz UIBCTDDSQZTOCE-RHSMWYFYSA-N 0 3 360.458 0.762 20 30 FCEDHN C[C@@H]1CN(C(=O)c2ccc3c(c2)CCOC3)C[C@H]1NCC(=O)NCC#N ZINC001215123692 1223975962 /nfs/dbraw/zinc/97/59/62/1223975962.db2.gz DSNUVHFTLAIOCL-CXAGYDPISA-N 0 3 356.426 0.449 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)Cc2cccc3ncccc23)C[C@H]1C ZINC001215130901 1223976441 /nfs/dbraw/zinc/97/64/41/1223976441.db2.gz VNTHQIAFEAHEGX-DNVCBOLYSA-N 0 3 364.449 0.963 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cnc3ccc(C)cn32)C[C@H]1C ZINC001215134521 1223976716 /nfs/dbraw/zinc/97/67/16/1223976716.db2.gz RRKZNBFIGPCSFU-HUUCEWRRSA-N 0 3 353.426 0.442 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2nc(C)n3ccccc23)C[C@H]1C ZINC001215136918 1223977476 /nfs/dbraw/zinc/97/74/76/1223977476.db2.gz ZFNWHHAWDDEMBD-IJEWVQPXSA-N 0 3 367.453 0.831 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cccc3oc(=O)[nH]c32)C[C@H]1C ZINC001215161899 1223978869 /nfs/dbraw/zinc/97/88/69/1223978869.db2.gz FLKICYKRRMPWQN-DGCLKSJQSA-N 0 3 358.398 0.886 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)Cn2nc(C)c3cccnc32)C[C@H]1C ZINC001215196346 1223981166 /nfs/dbraw/zinc/98/11/66/1223981166.db2.gz NQVBHDVYTSGQIM-CZUORRHYSA-N 0 3 370.457 0.478 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cc(CC)nnc2C)C[C@H]1C ZINC001215222661 1223983538 /nfs/dbraw/zinc/98/35/38/1223983538.db2.gz YPKDMLIXBYHXTC-SUYBPPKGSA-N 0 3 357.458 0.535 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)cc2)C[C@H]1C ZINC001215250972 1223985781 /nfs/dbraw/zinc/98/57/81/1223985781.db2.gz ILRNVEITAUYNQL-CRAIPNDOSA-N 0 3 365.437 0.672 20 30 FCEDHN C[C@@H]1CN(C(=O)c2cc3ccccc3[nH]c2=O)C[C@H]1NCC(=O)NCC#N ZINC001215273170 1223987928 /nfs/dbraw/zinc/98/79/28/1223987928.db2.gz SNLMFULOGPJYSL-MLGOLLRUSA-N 0 3 367.409 0.630 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)Cc2ccccc2C(N)=O)C[C@H]1C ZINC001215289968 1223989905 /nfs/dbraw/zinc/98/99/05/1223989905.db2.gz FXOKNGZYMFEWOL-CZUORRHYSA-N 0 3 358.442 0.067 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cccc(-c3nc[nH]n3)c2)C[C@H]1C ZINC001215294028 1223990495 /nfs/dbraw/zinc/99/04/95/1223990495.db2.gz GOJYLHOYIITBHK-CZUORRHYSA-N 0 3 366.425 0.271 20 30 FCEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1C ZINC001215309839 1223991805 /nfs/dbraw/zinc/99/18/05/1223991805.db2.gz WMPMRSBNAGHWLP-ZIAGYGMSSA-N 0 3 361.446 0.376 20 30 FCEDHN C[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@H]1NCC#Cc1ccc(F)cc1 ZINC001215309584 1223991836 /nfs/dbraw/zinc/99/18/36/1223991836.db2.gz MPGVKDRSYAGEIJ-XYPHTWIQSA-N 0 3 358.417 0.637 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1C ZINC001215385729 1223995531 /nfs/dbraw/zinc/99/55/31/1223995531.db2.gz WZVOLSDSCZPAHC-MBNYWOFBSA-N 0 3 363.418 0.054 20 30 FCEDHN Cc1cc(C)c(CC(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)c(=O)[nH]1 ZINC001215385759 1223995533 /nfs/dbraw/zinc/99/55/33/1223995533.db2.gz YWNVZRHJUDXEMU-IUODEOHRSA-N 0 3 359.430 0.023 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)Cn2cnc3ccc(C)cc32)C[C@H]1C ZINC001215390563 1223995781 /nfs/dbraw/zinc/99/57/81/1223995781.db2.gz DRZUJEMSIXPSSU-NVXWUHKLSA-N 0 3 367.453 0.531 20 30 FCEDHN C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(=O)NCCC)C2)c1 ZINC001215501875 1224001976 /nfs/dbraw/zinc/00/19/76/1224001976.db2.gz RVVGFTFCVGHDAO-CZUORRHYSA-N 0 3 371.441 0.349 20 30 FCEDHN C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC[C@H]3CCCO3)C2)c1 ZINC001215502160 1224002261 /nfs/dbraw/zinc/00/22/61/1224002261.db2.gz XFFPNLJHDBVNRN-ZTFGCOKTSA-N 0 3 370.453 0.408 20 30 FCEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1C ZINC001215525340 1224004280 /nfs/dbraw/zinc/00/42/80/1224004280.db2.gz LVLQLADUMIPJMF-SPYBWZPUSA-N 0 3 362.474 0.150 20 30 FCEDHN CCc1ncnc(CC)c1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1 ZINC001215571131 1224006351 /nfs/dbraw/zinc/00/63/51/1224006351.db2.gz ADVIHGGWYFGGJS-IUODEOHRSA-N 0 3 358.446 0.291 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2nccn3ccnc23)C[C@H]1C ZINC001215579380 1224007846 /nfs/dbraw/zinc/00/78/46/1224007846.db2.gz MKOOHOIMOHFTHO-MGPQQGTHSA-N 0 3 356.430 0.470 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)COc2cccc(OC)c2)C[C@H]1C ZINC001215609721 1224009246 /nfs/dbraw/zinc/00/92/46/1224009246.db2.gz YUOKDNILMLXQSY-RHSMWYFYSA-N 0 3 359.426 0.260 20 30 FCEDHN C[C@@H]1CN(C(=O)Cc2c[nH]c3ccc(F)cc23)C[C@H]1NCC(=O)NCC#N ZINC001215664412 1224011729 /nfs/dbraw/zinc/01/17/29/1224011729.db2.gz DVEFUMBDKKOMTJ-SJKOYZFVSA-N 0 3 371.416 0.926 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cnc(C(C)C)nc2C)C[C@H]1C ZINC001215808443 1224019054 /nfs/dbraw/zinc/01/90/54/1224019054.db2.gz VNWIAUTYVIYLHN-CZUORRHYSA-N 0 3 357.458 0.708 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)Cc2c(C)noc2C)C[C@H]1C ZINC001215818243 1224019321 /nfs/dbraw/zinc/01/93/21/1224019321.db2.gz WLVSGCBGBHIIQH-OGHNNQOOSA-N 0 3 360.458 0.656 20 30 FCEDHN COc1cccc2c1[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1)CC2 ZINC001215840165 1224020296 /nfs/dbraw/zinc/02/02/96/1224020296.db2.gz JHIRHMROMFDIPB-FVQBIDKESA-N 0 3 370.453 0.801 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C[C@H]1C ZINC001215847797 1224020532 /nfs/dbraw/zinc/02/05/32/1224020532.db2.gz JOLWZNHSXGFZRE-ZWQIFLOQSA-N 0 3 369.465 0.985 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCNC(=O)C2CCC2)C[C@H]1C ZINC001215887419 1224022421 /nfs/dbraw/zinc/02/24/21/1224022421.db2.gz DSVGMRSKJOCOLV-IJEWVQPXSA-N 0 3 364.490 0.420 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CNC(=O)CCC(C)C)C[C@H]1C ZINC001215960668 1224027202 /nfs/dbraw/zinc/02/72/02/1224027202.db2.gz JHIIGUQZUVKNSP-BZUAXINKSA-N 0 3 364.490 0.113 20 30 FCEDHN C[C@@H]1CN(C(=O)c2cn(C)nc2C(C)(C)C)C[C@H]1NCC(=O)NCC#N ZINC001215956480 1224027279 /nfs/dbraw/zinc/02/72/79/1224027279.db2.gz DFIQBRYMGRTGSF-TZMCWYRMSA-N 0 3 360.462 0.407 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnn3ccccc23)C[C@H]1C ZINC001215969512 1224027706 /nfs/dbraw/zinc/02/77/06/1224027706.db2.gz UGDBAUOGVLJXBX-IIAWOOMASA-N 0 3 353.426 0.522 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)Cc2ccccc2NC(C)=O)C[C@H]1C ZINC001215978209 1224028493 /nfs/dbraw/zinc/02/84/93/1224028493.db2.gz YZQGIGGTIFPCBF-RDTXWAMCSA-N 0 3 370.453 0.373 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C(C)(C)c2cnn(C)c2)C[C@H]1C ZINC001216136299 1224035877 /nfs/dbraw/zinc/03/58/77/1224035877.db2.gz DVBKNVYSUWLOAN-IJEWVQPXSA-N 0 3 359.474 0.272 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2c3ccccc3nn2C)C[C@H]1C ZINC001216201772 1224038568 /nfs/dbraw/zinc/03/85/68/1224038568.db2.gz ZLRSWOPWPRYGLH-CKEIUWERSA-N 0 3 367.453 0.761 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnn(CC3CC3)c2)C[C@H]1C ZINC001216249363 1224040212 /nfs/dbraw/zinc/04/02/12/1224040212.db2.gz YMDATFLGAUSRLG-CKEIUWERSA-N 0 3 357.458 0.481 20 30 FCEDHN CCn1ncc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)c1C1CC1 ZINC001216310676 1224043538 /nfs/dbraw/zinc/04/35/38/1224043538.db2.gz WGCKIUHTZVBRFY-IUODEOHRSA-N 0 3 358.446 0.470 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ccc(N(C)C)nn2)C[C@H]1C ZINC001216421226 1224049712 /nfs/dbraw/zinc/04/97/12/1224049712.db2.gz BWPBNDBOYSILLD-UMVBOHGHSA-N 0 3 360.462 0.283 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cnn3ccc(C)nc23)C[C@H]1C ZINC001216425204 1224050144 /nfs/dbraw/zinc/05/01/44/1224050144.db2.gz OAQILMRDXZFZRY-IUODEOHRSA-N 0 3 356.430 0.390 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N(CC)CCC#N)C2)cn1 ZINC001216447886 1224051511 /nfs/dbraw/zinc/05/15/11/1224051511.db2.gz DLTMLRSSYDTKAE-CRAIPNDOSA-N 0 3 367.453 0.875 20 30 FCEDHN CCc1nc[nH]c1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N(CC)CCC#N)C1 ZINC001216618610 1224059107 /nfs/dbraw/zinc/05/91/07/1224059107.db2.gz VDKJADMCWNDYFQ-UKRRQHHQSA-N 0 3 360.462 0.784 20 30 FCEDHN Cc1nn(CC(=O)N2C[C@@H](C)[C@H](NCC#Cc3ccccc3)C2)c(=O)n1C ZINC001216627082 1224059530 /nfs/dbraw/zinc/05/95/30/1224059530.db2.gz PVKAVRWZMSNNPG-CRAIPNDOSA-N 0 3 367.453 0.378 20 30 FCEDHN COc1ccc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)cc1OC ZINC001216636442 1224060008 /nfs/dbraw/zinc/06/00/08/1224060008.db2.gz CYDDTNFZWCEITE-TZMCWYRMSA-N 0 3 360.414 0.394 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)COc2ccc3c(c2)CCC3)C[C@H]1C ZINC001216687117 1224061161 /nfs/dbraw/zinc/06/11/61/1224061161.db2.gz DWMBEPIBZLCAEO-DNVCBOLYSA-N 0 3 369.465 0.740 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(NC(N)=O)cc2)C[C@H]1C ZINC001216696813 1224061777 /nfs/dbraw/zinc/06/17/77/1224061777.db2.gz UGROQJBXICKBCM-IUODEOHRSA-N 0 3 359.430 0.530 20 30 FCEDHN Cc1cccc(O[C@@H](C)C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)c1 ZINC001216701911 1224061868 /nfs/dbraw/zinc/06/18/68/1224061868.db2.gz CGGDVAWQDINCAE-HLLBOEOZSA-N 0 3 358.442 0.839 20 30 FCEDHN C[C@@H](Oc1ccc(F)cc1)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1 ZINC001216715850 1224063617 /nfs/dbraw/zinc/06/36/17/1224063617.db2.gz VQPOGXPQTFQKOF-XJKCOSOUSA-N 0 3 362.405 0.669 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C2CCN(C(C)=O)CC2)C[C@H]1C ZINC001216721495 1224064481 /nfs/dbraw/zinc/06/44/81/1224064481.db2.gz YQENGPFIWOZFON-CKEIUWERSA-N 0 3 364.490 0.372 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)COc2ccc(OC)cc2)C[C@H]1C ZINC001216738677 1224066638 /nfs/dbraw/zinc/06/66/38/1224066638.db2.gz SMWDPVSWJHSFLI-RHSMWYFYSA-N 0 3 361.442 0.813 20 30 FCEDHN 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XOCJQUHDRSPZPZ-DOTOQJQBSA-N 0 3 374.489 0.971 20 30 FCEDHN C=CCn1c(-c2nc[nH]n2)nnc1N1CCC(N2CCN(C)CC2)CC1 ZINC001340451293 1268551903 /nfs/dbraw/zinc/55/19/03/1268551903.db2.gz VZPOZBVEFUCBMS-UHFFFAOYSA-N 0 3 357.466 0.465 20 30 FCEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C)C1=O)C(C)C ZINC001340557512 1268585976 /nfs/dbraw/zinc/58/59/76/1268585976.db2.gz QPIYVDFOYREWQL-HUUCEWRRSA-N 0 3 350.463 0.148 20 30 FCEDHN C=CCn1c(N2CCN(C[C@@H]3CCOC3)CC2)nnc1[C@@]1(O)CCOC1 ZINC001340770537 1268649768 /nfs/dbraw/zinc/64/97/68/1268649768.db2.gz CPHJCMTUAKDZHD-MAUKXSAKSA-N 0 3 363.462 0.231 20 30 FCEDHN N#CCc1ccc(OC[C@H](O)CN2CC[C@H](CS(N)(=O)=O)C2)cc1 ZINC001560193631 1269195375 /nfs/dbraw/zinc/19/53/75/1269195375.db2.gz HMZFUOKVAPLIOY-LSDHHAIUSA-N 0 3 353.444 0.103 20 30 FCEDHN C=CCn1c(-c2c[nH]cn2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001342366618 1269445508 /nfs/dbraw/zinc/44/55/08/1269445508.db2.gz CPAVHRLESHBQHX-UHFFFAOYSA-N 0 3 372.477 0.845 20 30 FCEDHN C=C(C)Cn1c(-c2ncnn2C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001342469665 1269483151 /nfs/dbraw/zinc/48/31/51/1269483151.db2.gz YUNXBONQGXNTQJ-HNNXBMFYSA-N 0 3 372.477 0.808 20 30 FCEDHN COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC001342752725 1269590965 /nfs/dbraw/zinc/59/09/65/1269590965.db2.gz XCGMOCLEQGJTHH-QGZVFWFLSA-N 0 3 358.442 0.698 20 30 FCEDHN COCCn1c([C@@H]2C[C@H]2C#N)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001342834061 1269633212 /nfs/dbraw/zinc/63/32/12/1269633212.db2.gz VYGGAZPWXUTSHQ-OWCLPIDISA-N 0 3 360.462 0.710 20 30 FCEDHN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC001569362125 1269777775 /nfs/dbraw/zinc/77/77/75/1269777775.db2.gz WSUSPMINVQWUJD-XPKDYRNWSA-N 0 3 362.455 0.388 20 30 FCEDHN COCCn1c(N2CCN(C[C@H]3CCOC3)CC2)nnc1C(C)(C)C#N ZINC001343263546 1269836557 /nfs/dbraw/zinc/83/65/57/1269836557.db2.gz AIMBPPCCGSTXMP-OAHLLOKOSA-N 0 3 362.478 0.884 20 30 FCEDHN CN(CC(=O)N[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1O)CC(C)(C)C ZINC001343738559 1269994938 /nfs/dbraw/zinc/99/49/38/1269994938.db2.gz AWSPPTAGEUMVST-CABCVRRESA-N 0 3 361.446 0.166 20 30 FCEDHN CCN(CC)[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C#N)C1)c1ccccc1 ZINC001344840200 1270255101 /nfs/dbraw/zinc/25/51/01/1270255101.db2.gz CKRHIKBBUDYUMX-IRXDYDNUSA-N 0 3 358.442 0.937 20 30 FCEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(C(=O)OCC)([S@@](C)=O)CC1 ZINC001574852155 1271602154 /nfs/dbraw/zinc/60/21/54/1271602154.db2.gz QBLWBUFFXPMNOE-RKFFSXRUSA-N 0 3 350.868 0.759 20 30 FCEDHN C=CCNC(=O)Cn1c([C@@H]2CCCN2)nnc1N(C)Cc1cnn(C)c1 ZINC001574937233 1271683257 /nfs/dbraw/zinc/68/32/57/1271683257.db2.gz UNNWERQKHDIZFY-AWEZNQCLSA-N 0 3 358.450 0.375 20 30 FCEDHN CC#CC[C@@H](N)C(=O)N1CCN(c2nc(C(=O)OCC)cs2)CC1 ZINC001574962969 1271687269 /nfs/dbraw/zinc/68/72/69/1271687269.db2.gz PPCRWBTZQUNYKC-GFCCVEGCSA-N 0 3 350.444 0.709 20 30 FCEDHN C=C(Cl)CN[C@]1(CO)CCCN(C(=O)[C@H](C)OCc2c[nH]nn2)C1 ZINC001575058392 1271704841 /nfs/dbraw/zinc/70/48/41/1271704841.db2.gz ABALOAPIQAXFPG-SWLSCSKDSA-N 0 3 357.842 0.405 20 30 FCEDHN C=C[C@@](C)(CCOC)C(=O)N1CCCO[C@@H](CNCc2c[nH]nn2)C1 ZINC001575072618 1271707896 /nfs/dbraw/zinc/70/78/96/1271707896.db2.gz KQOGWZSIGFTCEL-RDJZCZTQSA-N 0 3 351.451 0.741 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)c1ccc(-c2c[nH]nn2)cn1 ZINC001575104483 1271721478 /nfs/dbraw/zinc/72/14/78/1271721478.db2.gz QXNKLPDMFFQHJZ-QWHCGFSZSA-N 0 3 371.445 0.608 20 30 FCEDHN C=CCNC(=O)[C@@H](C)NCCNC(=O)Cc1ccccc1-c1c[nH]nn1 ZINC001575104319 1271722018 /nfs/dbraw/zinc/72/20/18/1271722018.db2.gz PAHXXQPJLRQNJI-CYBMUJFWSA-N 0 3 356.430 0.411 20 30 FCEDHN COCC#CCN1CCC(N(Cc2c[nH]nn2)C(=O)c2ccnn2C)CC1 ZINC001576952677 1273974099 /nfs/dbraw/zinc/97/40/99/1273974099.db2.gz JNBAMJICBGONBB-UHFFFAOYSA-N 0 3 371.445 0.295 20 30 FCEDHN N#Cc1c[nH]c(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCc3cn[nH]n3)C2)c1 ZINC001577712536 1274773444 /nfs/dbraw/zinc/77/34/44/1274773444.db2.gz QCPOKCFJMLDVDX-DGCLKSJQSA-N 0 3 367.335 0.840 20 30 FCEDHN CCS(=O)(=O)CCn1c([C@@H]2CCCN2)nnc1N(C)C[C@H](C)C#N ZINC001578207617 1275498965 /nfs/dbraw/zinc/49/89/65/1275498965.db2.gz HMJIJAXUEOVIQD-OLZOCXBDSA-N 0 3 354.480 0.733 20 30 FCEDHN COC(=O)CC[C@@H](N)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001578808374 1276300304 /nfs/dbraw/zinc/30/03/04/1276300304.db2.gz BZPOJGFGHAFITO-CABCVRRESA-N 0 3 358.398 0.450 20 30 FCEDHN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](N)CCCC#N ZINC001579234612 1277040744 /nfs/dbraw/zinc/04/07/44/1277040744.db2.gz ORZMHXHBMWXBFS-LBPRGKRZSA-N 0 3 354.432 0.905 20 30 FCEDHN C#CCC[NH2+]C1CCN(CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001588347375 1282441848 /nfs/dbraw/zinc/44/18/48/1282441848.db2.gz RIECVCDSJWHPDI-UHFFFAOYSA-N 0 3 356.434 0.002 20 30 FCEDHN C#CCC[NH2+]C1CCN(CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001588347375 1282441850 /nfs/dbraw/zinc/44/18/50/1282441850.db2.gz RIECVCDSJWHPDI-UHFFFAOYSA-N 0 3 356.434 0.002 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001588354813 1282449287 /nfs/dbraw/zinc/44/92/87/1282449287.db2.gz ABHHOIDCKWGFOQ-DOMZBBRYSA-N 0 3 372.404 0.735 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001588354813 1282449290 /nfs/dbraw/zinc/44/92/90/1282449290.db2.gz ABHHOIDCKWGFOQ-DOMZBBRYSA-N 0 3 372.404 0.735 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC/C=C/C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588356702 1282460850 /nfs/dbraw/zinc/46/08/50/1282460850.db2.gz FEYHBPUFQBVNIL-MUBLQREKSA-N 0 3 372.404 0.806 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001588356634 1282461006 /nfs/dbraw/zinc/46/10/06/1282461006.db2.gz YUZNZMWXUBUMRL-GXTWGEPZSA-N 0 3 372.404 0.735 20 30 FCEDHN C#CCO[C@H](C)C(=O)NCC[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588356804 1282461068 /nfs/dbraw/zinc/46/10/68/1282461068.db2.gz GIGRYCQTUGFAMB-UONOGXRCSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@H](C)C(=O)NCC[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001588356804 1282461075 /nfs/dbraw/zinc/46/10/75/1282461075.db2.gz GIGRYCQTUGFAMB-UONOGXRCSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001588356639 1282461814 /nfs/dbraw/zinc/46/18/14/1282461814.db2.gz YVRRRSNRENHHTE-VXGBXAGGSA-N 0 3 360.393 0.638 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001588356639 1282461817 /nfs/dbraw/zinc/46/18/17/1282461817.db2.gz YVRRRSNRENHHTE-VXGBXAGGSA-N 0 3 360.393 0.638 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N(C)CCC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588357735 1282466906 /nfs/dbraw/zinc/46/69/06/1282466906.db2.gz MJVVROYZBZJNOK-AWEZNQCLSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N(C)CCC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588357735 1282466910 /nfs/dbraw/zinc/46/69/10/1282466910.db2.gz MJVVROYZBZJNOK-AWEZNQCLSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588357635 1282467271 /nfs/dbraw/zinc/46/72/71/1282467271.db2.gz OASKYMHCIISBCB-FRFSOERESA-N 0 3 368.441 0.889 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001588357635 1282467276 /nfs/dbraw/zinc/46/72/76/1282467276.db2.gz OASKYMHCIISBCB-FRFSOERESA-N 0 3 368.441 0.889 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588357881 1282467560 /nfs/dbraw/zinc/46/75/60/1282467560.db2.gz ODHKJAPIRAVEQE-OLZOCXBDSA-N 0 3 374.420 0.981 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001588358389 1282469029 /nfs/dbraw/zinc/46/90/29/1282469029.db2.gz WPLIMEAWQZFPGJ-CHWSQXEVSA-N 0 3 372.429 0.508 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001588358389 1282469033 /nfs/dbraw/zinc/46/90/33/1282469033.db2.gz WPLIMEAWQZFPGJ-CHWSQXEVSA-N 0 3 372.429 0.508 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588358482 1282471482 /nfs/dbraw/zinc/47/14/82/1282471482.db2.gz XTOCDRQINDXLOP-FRFSOERESA-N 0 3 368.441 0.889 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588358482 1282471487 /nfs/dbraw/zinc/47/14/87/1282471487.db2.gz XTOCDRQINDXLOP-FRFSOERESA-N 0 3 368.441 0.889 20 30 FCEDHN C#CCO[C@H](C)C(=O)N(C)CCC[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588359187 1282473358 /nfs/dbraw/zinc/47/33/58/1282473358.db2.gz ZCVFSTZNCLOQRH-CQSZACIVSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCO[C@H](C)C(=O)N(C)CCC[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001588359187 1282473365 /nfs/dbraw/zinc/47/33/65/1282473365.db2.gz ZCVFSTZNCLOQRH-CQSZACIVSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCOCCC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588359767 1282476138 /nfs/dbraw/zinc/47/61/38/1282476138.db2.gz YBGQFIMFHIOYDL-QGZVFWFLSA-N 0 3 368.441 0.987 20 30 FCEDHN C#CCOCCC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001588359767 1282476142 /nfs/dbraw/zinc/47/61/42/1282476142.db2.gz YBGQFIMFHIOYDL-QGZVFWFLSA-N 0 3 368.441 0.987 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001588360311 1282478529 /nfs/dbraw/zinc/47/85/29/1282478529.db2.gz NOPUHNIIKPCENC-UBHSHLNASA-N 0 3 372.404 0.781 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001588360311 1282478535 /nfs/dbraw/zinc/47/85/35/1282478535.db2.gz NOPUHNIIKPCENC-UBHSHLNASA-N 0 3 372.404 0.781 20 30 FCEDHN C#CCOCCC(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588360831 1282481233 /nfs/dbraw/zinc/48/12/33/1282481233.db2.gz WPISCDQEWGAMAU-CQSZACIVSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCOCCC(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001588360831 1282481238 /nfs/dbraw/zinc/48/12/38/1282481238.db2.gz WPISCDQEWGAMAU-CQSZACIVSA-N 0 3 356.430 0.843 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588500242 1282530483 /nfs/dbraw/zinc/53/04/83/1282530483.db2.gz TXNPKNKYKSDEKV-MAUKXSAKSA-N 0 3 374.445 0.103 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588500242 1282530491 /nfs/dbraw/zinc/53/04/91/1282530491.db2.gz TXNPKNKYKSDEKV-MAUKXSAKSA-N 0 3 374.445 0.103 20 30 FCEDHN C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCO1 ZINC001588600637 1282580299 /nfs/dbraw/zinc/58/02/99/1282580299.db2.gz JEURTVZVMLCVAP-CYBMUJFWSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCO1 ZINC001588600637 1282580309 /nfs/dbraw/zinc/58/03/09/1282580309.db2.gz JEURTVZVMLCVAP-CYBMUJFWSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCCC[NH2+]C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCO1 ZINC001588600638 1282582063 /nfs/dbraw/zinc/58/20/63/1282582063.db2.gz JEURTVZVMLCVAP-ZDUSSCGKSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCCC[NH2+]C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCO1 ZINC001588600638 1282582069 /nfs/dbraw/zinc/58/20/69/1282582069.db2.gz JEURTVZVMLCVAP-ZDUSSCGKSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCN1CC[C@@H]([NH2+][C@@H](C)CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1=O ZINC001588657654 1282609073 /nfs/dbraw/zinc/60/90/73/1282609073.db2.gz SDDYAVLLYRQNEB-SMDDNHRTSA-N 0 3 372.433 0.080 20 30 FCEDHN C=CCNC(=O)[C@H](C)[NH2+][C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001588657852 1282609537 /nfs/dbraw/zinc/60/95/37/1282609537.db2.gz YERIJPWGIQSMJM-FZMZJTMJSA-N 0 3 374.449 0.230 20 30 FCEDHN C=CCN1CC[C@H]([NH2+]CCCN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1=O ZINC001588657552 1282609981 /nfs/dbraw/zinc/60/99/81/1282609981.db2.gz PUOKWXSIKUXAOJ-ZDUSSCGKSA-N 0 3 372.433 0.033 20 30 FCEDHN C=CCN1CC[C@H]([NH2+]CCCN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1=O ZINC001588657552 1282609987 /nfs/dbraw/zinc/60/99/87/1282609987.db2.gz PUOKWXSIKUXAOJ-ZDUSSCGKSA-N 0 3 372.433 0.033 20 30 FCEDHN C=CCOCC[N@H+]1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C ZINC001588683445 1282644730 /nfs/dbraw/zinc/64/47/30/1282644730.db2.gz SSAAEQOMJVXXBQ-JSGCOSHPSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[N@@H+]1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C ZINC001588683445 1282644745 /nfs/dbraw/zinc/64/47/45/1282644745.db2.gz SSAAEQOMJVXXBQ-JSGCOSHPSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[N@H+]1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C ZINC001588683445 1282644756 /nfs/dbraw/zinc/64/47/56/1282644756.db2.gz SSAAEQOMJVXXBQ-JSGCOSHPSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[N@@H+]1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C ZINC001588683445 1282644760 /nfs/dbraw/zinc/64/47/60/1282644760.db2.gz SSAAEQOMJVXXBQ-JSGCOSHPSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[NH2+]C[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588683560 1282648997 /nfs/dbraw/zinc/64/89/97/1282648997.db2.gz YGMSZJPHLMMBSG-ZDUSSCGKSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[NH2+]C[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588683560 1282649010 /nfs/dbraw/zinc/64/90/10/1282649010.db2.gz YGMSZJPHLMMBSG-ZDUSSCGKSA-N 0 3 359.434 0.839 20 30 FCEDHN CC(C)C#CC(=O)N(C)C[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001589380187 1282856112 /nfs/dbraw/zinc/85/61/12/1282856112.db2.gz OWINOQDXHJRICA-OAHLLOKOSA-N 0 3 374.420 0.574 20 30 FCEDHN CC(C)C#CC(=O)N(C)C[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001589380187 1282856119 /nfs/dbraw/zinc/85/61/19/1282856119.db2.gz OWINOQDXHJRICA-OAHLLOKOSA-N 0 3 374.420 0.574 20 30 FCEDHN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1C#N ZINC001591217203 1284355418 /nfs/dbraw/zinc/35/54/18/1284355418.db2.gz HLOPHYGDWUAYJJ-UHFFFAOYSA-N 0 3 351.374 0.866 20 30 FCEDHN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC001591217203 1284355427 /nfs/dbraw/zinc/35/54/27/1284355427.db2.gz HLOPHYGDWUAYJJ-UHFFFAOYSA-N 0 3 351.374 0.866 20 30 FCEDHN COC(=O)[C@@H]1CN(C(=O)C(C#N)Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC001591278870 1284435671 /nfs/dbraw/zinc/43/56/71/1284435671.db2.gz VHKITGSCANFPBF-KCPJHIHWSA-N 0 3 368.397 0.816 20 30 FCEDHN COCC#CC[NH2+]C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCCC1 ZINC001591360180 1284494201 /nfs/dbraw/zinc/49/42/01/1284494201.db2.gz ALWZMWZWDFPEQR-MRXNPFEDSA-N 0 3 371.445 0.723 20 30 FCEDHN COCC#CC[NH2+]C[C@H](CC(C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001591361114 1284495533 /nfs/dbraw/zinc/49/55/33/1284495533.db2.gz JIGSBYQSSPJVAY-AWEZNQCLSA-N 0 3 359.434 0.579 20 30 FCEDHN COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001591361120 1284496553 /nfs/dbraw/zinc/49/65/53/1284496553.db2.gz JOCKFMLIYZXQRX-KRWDZBQOSA-N 0 3 357.418 0.286 20 30 FCEDHN COc1ccc(-c2nn[nH]n2)cc1CN[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001591563227 1284737452 /nfs/dbraw/zinc/73/74/52/1284737452.db2.gz SCEWAZGFIGVXNA-INIZCTEOSA-N 0 3 366.425 0.979 20 30 FCEDHN N#CCN1CCN(CCCCCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001592677935 1285572586 /nfs/dbraw/zinc/57/25/86/1285572586.db2.gz MDSOVQWSDOWNAY-UHFFFAOYSA-N 0 3 371.449 0.236 20 30 FCEDHN COc1ccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1-c1nnn[n-]1 ZINC001605279322 1287921559 /nfs/dbraw/zinc/92/15/59/1287921559.db2.gz JFDVPUSPDFAGHE-YNAXMUEKSA-N 0 3 367.413 0.631 20 30 FCEDHN COc1ccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1-c1nn[n-]n1 ZINC001605279322 1287921564 /nfs/dbraw/zinc/92/15/64/1287921564.db2.gz JFDVPUSPDFAGHE-YNAXMUEKSA-N 0 3 367.413 0.631 20 30 FCEDHN CCCN(C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NC(=O)[C@H](C)C#N)C1 ZINC001719478993 1288138729 /nfs/dbraw/zinc/13/87/29/1288138729.db2.gz ILKBURZZWKRJFY-VNQPRFMTSA-N 0 3 360.462 0.332 20 30 FCEDHN C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC001609020664 1288882577 /nfs/dbraw/zinc/88/25/77/1288882577.db2.gz BCPFMVDGTFESSK-UHFFFAOYSA-N 0 3 359.365 0.016 20 30 FCEDHN C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC001609020664 1288882578 /nfs/dbraw/zinc/88/25/78/1288882578.db2.gz BCPFMVDGTFESSK-UHFFFAOYSA-N 0 3 359.365 0.016 20 30 FCEDHN Cn1cnn(CC(=O)NC[C@H]2CC[C@@H](NCc3ccccc3C#N)C2)c1=O ZINC001691889925 1289335235 /nfs/dbraw/zinc/33/52/35/1289335235.db2.gz ODAQCPYGAVPKTA-WMLDXEAASA-N 0 3 368.441 0.528 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H](CC)N2CCCC2=O)C[C@H]1c1cnn(C)c1 ZINC001691982721 1289357662 /nfs/dbraw/zinc/35/76/62/1289357662.db2.gz OWMLDPLSXJYKJC-RCCFBDPRSA-N 0 3 371.485 0.728 20 30 FCEDHN COCC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN(C)C3=O)C[C@@H]2C1 ZINC001692082476 1289387901 /nfs/dbraw/zinc/38/79/01/1289387901.db2.gz BDSGDKARTKJXHD-FGTMMUONSA-N 0 3 361.486 0.675 20 30 FCEDHN C=CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1ccc2nncn2c1 ZINC001692089920 1289396998 /nfs/dbraw/zinc/39/69/98/1289396998.db2.gz DVRYVQDFQDMJMD-ZBFHGGJFSA-N 0 3 370.457 0.862 20 30 FCEDHN C#CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)Cc1cnn(CC)c1 ZINC001692092515 1289398062 /nfs/dbraw/zinc/39/80/62/1289398062.db2.gz SLJUAYXARHBBAQ-WBVHZDCISA-N 0 3 359.474 0.412 20 30 FCEDHN C#CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)CCc1cnccn1 ZINC001692092415 1289399428 /nfs/dbraw/zinc/39/94/28/1289399428.db2.gz PCLWHMMLLOMZIN-WBVHZDCISA-N 0 3 357.458 0.375 20 30 FCEDHN C[C@@H]1CCN(C(=O)COC[C@H]2CCCO2)[C@H](CNCC(=O)NCC#N)C1 ZINC001692102815 1289399958 /nfs/dbraw/zinc/39/99/58/1289399958.db2.gz PIZZUQZJZVFRLL-OWCLPIDISA-N 0 3 366.462 0.038 20 30 FCEDHN CCN1CCN(CCCn2c(C3CC3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001695900901 1289495888 /nfs/dbraw/zinc/49/58/88/1289495888.db2.gz KMRXGNCPTIRYBD-QGZVFWFLSA-N 0 3 373.505 0.912 20 30 FCEDHN N#CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001699060395 1289544378 /nfs/dbraw/zinc/54/43/78/1289544378.db2.gz DMKLRXNWVUJSAM-HBNTYKKESA-N 0 3 370.862 0.211 20 30 FCEDHN N#Cc1ccc(CNC/C=C\CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)cc1F ZINC001699308043 1289549796 /nfs/dbraw/zinc/54/97/96/1289549796.db2.gz KKWHOPWQFKYIOB-XOMPPTQVSA-N 0 3 360.389 0.492 20 30 FCEDHN C[C@H](CNCC(=O)NCC#N)NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001699389478 1289552839 /nfs/dbraw/zinc/55/28/39/1289552839.db2.gz MUIBQCDPSUMHMV-KGYLQXTDSA-N 0 3 350.369 0.802 20 30 FCEDHN CC#CCNCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001752926831 1290615793 /nfs/dbraw/zinc/61/57/93/1290615793.db2.gz ZRUFCJZBPXQPEN-BZUAXINKSA-N 0 3 357.458 0.481 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC/C=C/CN[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001754183685 1290627309 /nfs/dbraw/zinc/62/73/09/1290627309.db2.gz ODNZEWCLERIPDD-ZQUADUEKSA-N 0 3 364.446 0.216 20 30 FCEDHN C[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1[NH2+]CC(=O)NCC#Cc1ccccc1 ZINC001688788064 1294532055 /nfs/dbraw/zinc/53/20/55/1294532055.db2.gz YEUZHLBAZKEZLJ-GDBMZVCRSA-N 0 3 366.425 0.023 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)Cc2cnn(CC)c2)C[C@H]1c1cnn(C)c1 ZINC001689036311 1294582541 /nfs/dbraw/zinc/58/25/41/1294582541.db2.gz TXBLFZHMJCRBKM-ZWKOTPCHSA-N 0 3 354.458 0.787 20 30 FCEDHN C#CCNC(=O)[C@@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)CCn1cccn1 ZINC001689080787 1294600100 /nfs/dbraw/zinc/60/01/00/1294600100.db2.gz KXPCJSLIEFPGNU-ZACQAIPSSA-N 0 3 359.474 0.628 20 30 FCEDHN C=CCNC(=O)[C@@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)CN1CCOCC1 ZINC001689085994 1294604305 /nfs/dbraw/zinc/60/43/05/1294604305.db2.gz DTXYWFMLIQPGSL-ZACQAIPSSA-N 0 3 366.506 0.226 20 30 FCEDHN C#CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1cnc2ccccn21 ZINC001689093076 1294612539 /nfs/dbraw/zinc/61/25/39/1294612539.db2.gz OXVGHFXQLPKGOW-CVEARBPZSA-N 0 3 367.453 0.914 20 30 FCEDHN COCC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCc4cnn(C)c4C3)C[C@@H]2C1 ZINC001689230189 1294688454 /nfs/dbraw/zinc/68/84/54/1294688454.db2.gz RCXZMAYNFPIDFY-UHOSZYNNSA-N 0 3 370.497 0.955 20 30 FCEDHN C#CCN1CCC(C(=O)NC/C=C\CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001689362383 1294769672 /nfs/dbraw/zinc/76/96/72/1294769672.db2.gz YKRIUTKJZFEGCK-VXGFJPDBSA-N 0 3 371.481 0.544 20 30 FCEDHN C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001690285518 1294862618 /nfs/dbraw/zinc/86/26/18/1294862618.db2.gz AWPIMKOLIDLFCY-JKSUJKDBSA-N 0 3 374.489 0.964 20 30 FCEDHN C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001690642548 1294879308 /nfs/dbraw/zinc/87/93/08/1294879308.db2.gz VHIOPCDEWHPDEN-MRXNPFEDSA-N 0 3 374.489 0.964 20 30 FCEDHN C=CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCNC(=O)C1 ZINC001691804353 1294926480 /nfs/dbraw/zinc/92/64/80/1294926480.db2.gz VMYUJKOHCFTEHX-ILXRZTDVSA-N 0 3 350.463 0.032 20 30 FCEDHN C[C@@H]1CCN(C(=O)c2ccc3nc[nH]c3n2)[C@H](CNCC(=O)NCC#N)C1 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ZXCVGPGRBSOAKE-RRFJBIMHSA-N 0 3 366.487 0.315 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cnc(COC)s2)C[C@H]1c1cncn1C ZINC001070724933 837678339 /nfs/dbraw/zinc/67/83/39/837678339.db2.gz KAMKBOTUBQYISB-CHWSQXEVSA-N 0 3 359.455 0.854 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C(F)(F)F ZINC001099331283 844028722 /nfs/dbraw/zinc/02/87/22/844028722.db2.gz XMWQPDBLZGMQQS-GHMZBOCLSA-N 0 3 362.352 0.435 20 30 FCEDHN CC#CCN1C[C@@H]2CN(C(=O)CS(=O)(=O)N(CC)CC)C[C@]2(C)C1 ZINC001101380049 844167696 /nfs/dbraw/zinc/16/76/96/844167696.db2.gz MWGQYCCJYMJMAV-WBVHZDCISA-N 0 3 355.504 0.462 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1COCCN1C(=O)CN(C)CCC ZINC001061912377 836722998 /nfs/dbraw/zinc/72/29/98/836722998.db2.gz WEFCMEAEIVYITB-OAGGEKHMSA-N 0 3 353.463 0.263 20 30 FCEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@@H](CNC(=O)CC(N)=O)[C@H](C)C1 ZINC001101837548 844289513 /nfs/dbraw/zinc/28/95/13/844289513.db2.gz CUMCJKVJFGWEAQ-RBSFLKMASA-N 0 3 352.479 0.359 20 30 FCEDHN 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HAIHKWFEKGPMBI-VXGBXAGGSA-N 0 3 365.459 0.786 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1c(Cl)cnn1CC ZINC001226428893 857104753 /nfs/dbraw/zinc/10/47/53/857104753.db2.gz YSBPSNOEHJPWMA-ZIAGYGMSSA-N 0 3 365.865 0.936 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)CCNC(=O)C1 ZINC001227038701 857138538 /nfs/dbraw/zinc/13/85/38/857138538.db2.gz LMRULOYUXAKDSN-HBUWYVDXSA-N 0 3 350.463 0.222 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnn(CCF)c1 ZINC001227211683 857148715 /nfs/dbraw/zinc/14/87/15/857148715.db2.gz JDQZZINYBBORMY-HUUCEWRRSA-N 0 3 351.426 0.785 20 30 FCEDHN C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N ZINC001227750806 857175052 /nfs/dbraw/zinc/17/50/52/857175052.db2.gz RDROHHBISNYZTF-IIDMSEBBSA-N 0 3 350.463 0.872 20 30 FCEDHN COCC#CCN[C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCCS1(=O)=O ZINC001227750776 857175032 /nfs/dbraw/zinc/17/50/32/857175032.db2.gz QQNCPWBPUSYBQB-BZUAXINKSA-N 0 3 356.488 0.621 20 30 FCEDHN 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C=CCN1CCC(NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001319192087 867853232 /nfs/dbraw/zinc/85/32/32/867853232.db2.gz KRTKNVVOMPQULH-UHFFFAOYSA-N 0 3 365.455 0.795 20 30 FCEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CCNC1=O)C(C)C ZINC001323201544 869096249 /nfs/dbraw/zinc/09/62/49/869096249.db2.gz DQUAREFHALFAAC-CABCVRRESA-N 0 3 350.463 0.148 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC[C@H]2CC(=O)OCC)CC1 ZINC001324405329 869574647 /nfs/dbraw/zinc/57/46/47/869574647.db2.gz CRCLJOSPCRZBBK-HNNXBMFYSA-N 0 3 351.447 0.697 20 30 FCEDHN COCCN(CCN(C)C)C(=O)C(=O)NCc1ccc(C#N)c(F)c1 ZINC001345398168 871322104 /nfs/dbraw/zinc/32/21/04/871322104.db2.gz RYBFZUXYUXSPKC-UHFFFAOYSA-N 0 3 350.394 0.350 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC001346143493 871667565 /nfs/dbraw/zinc/66/75/65/871667565.db2.gz QBGHNXVMPZCPPH-GJZGRUSLSA-N 0 3 371.503 0.225 20 30 FCEDHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@@H](C#N)C2)CC1 ZINC001333145392 873821907 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489566267 /nfs/dbraw/zinc/56/62/67/489566267.db2.gz GXSDUBKSLQWQON-UHFFFAOYSA-N 0 3 355.358 0.258 20 30 FCEDHN N#Cc1ncn(CC(=O)Nc2ccc(CN3CCC[C@@H](C(N)=O)C3)cc2)n1 ZINC000426431824 489567009 /nfs/dbraw/zinc/56/70/09/489567009.db2.gz FMBVYGBZEKJXLC-CQSZACIVSA-N 0 3 367.413 0.486 20 30 FCEDHN COC(=O)CN(Cc1cc(OC)cc(OC)c1)S(=O)(=O)C(C)C#N ZINC000416386755 489587628 /nfs/dbraw/zinc/58/76/28/489587628.db2.gz IYFXZGKKNLTKME-LLVKDONJSA-N 0 3 356.400 0.921 20 30 FCEDHN C=CCN(C)CCN(CC)[C@H](C)C(=O)N1CCN(c2ncccn2)CC1 ZINC000429718993 489698505 /nfs/dbraw/zinc/69/85/05/489698505.db2.gz FWXPYIBVUGYZFC-QGZVFWFLSA-N 0 3 360.506 0.953 20 30 FCEDHN Cc1cc(NC(=O)C(=O)N(CCN(C)C)C2CCCC2)nn1CCC#N ZINC000429814378 489703510 /nfs/dbraw/zinc/70/35/10/489703510.db2.gz ZREPSKWHVXIBHX-UHFFFAOYSA-N 0 3 360.462 1.377 20 30 FCEDHN CN(C)C(C)(C)CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000374659604 489703634 /nfs/dbraw/zinc/70/36/34/489703634.db2.gz DFURGCYOCURQOR-UHFFFAOYSA-N 0 3 372.404 1.278 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000430400051 489735436 /nfs/dbraw/zinc/73/54/36/489735436.db2.gz HIBNQOCWWHRJLZ-SJORKVTESA-N 0 3 366.506 0.180 20 30 FCEDHN CON1CCC(N(C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 ZINC000459583234 489740311 /nfs/dbraw/zinc/74/03/11/489740311.db2.gz SLCMTKSGLSKHKJ-QGZVFWFLSA-N 0 3 351.495 0.636 20 30 FCEDHN N#Cc1ncn(CCNC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000376521646 489747491 /nfs/dbraw/zinc/74/74/91/489747491.db2.gz GFXVQXBAAOTDLB-MRXNPFEDSA-N 0 3 353.430 0.971 20 30 FCEDHN C=CCNC(=O)c1ccc(N2CCN(C(=O)CN3CCCC3)CC2)nc1 ZINC000495304665 489934691 /nfs/dbraw/zinc/93/46/91/489934691.db2.gz IWSQDZZIQFBBOR-UHFFFAOYSA-N 0 3 357.458 0.742 20 30 FCEDHN Cc1cc(C)n2nc(NC(=O)C(C#N)c3ccc([N+](=O)[O-])cn3)nc2n1 ZINC000461797762 489939885 /nfs/dbraw/zinc/93/98/85/489939885.db2.gz TYWDMQVZVGSKRD-NSHDSACASA-N 0 3 352.314 1.290 20 30 FCEDHN N#Cc1ccc(C2=CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)cc1 ZINC000420196214 489948175 /nfs/dbraw/zinc/94/81/75/489948175.db2.gz LHBIYBYXDYEEOZ-KRWDZBQOSA-N 0 3 354.410 0.279 20 30 FCEDHN N#Cc1cncc(S(=O)(=O)[N-]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000420437163 489976589 /nfs/dbraw/zinc/97/65/89/489976589.db2.gz UMWILJDCBXLBCK-LBPRGKRZSA-N 0 3 363.365 0.068 20 30 FCEDHN N#Cc1c(Br)cccc1S(=O)(=O)NC[C@H]1CNCCO1 ZINC000420482127 489983733 /nfs/dbraw/zinc/98/37/33/489983733.db2.gz SNFXQHLBWFGSCQ-SECBINFHSA-N 0 3 360.233 0.587 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)N2CCC([C@H](O)C(=O)OC)CC2)CC1 ZINC000437986986 490031011 /nfs/dbraw/zinc/03/10/11/490031011.db2.gz ODXMKYSFIKFVTJ-INIZCTEOSA-N 0 3 353.463 0.982 20 30 FCEDHN Cc1cc(NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)n(CCC#N)n1 ZINC000532604510 490083813 /nfs/dbraw/zinc/08/38/13/490083813.db2.gz PDAVEYJSDLFTIH-INIZCTEOSA-N 0 3 364.475 0.597 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)Cn2ccc3c2n(C)c(=O)n(C)c3=O)CC1 ZINC000465131517 490084730 /nfs/dbraw/zinc/08/47/30/490084730.db2.gz JGQWQGRCRWNDAU-UHFFFAOYSA-N 0 3 373.457 0.195 20 30 FCEDHN CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000556171780 491300586 /nfs/dbraw/zinc/30/05/86/491300586.db2.gz XBVNKCIGUGVDCI-UHFFFAOYSA-N 0 3 371.485 0.660 20 30 FCEDHN CS(=O)(=O)N1CCC[C@@H](NC[C@H](O)COc2ccccc2C#N)C1 ZINC000400234737 490173259 /nfs/dbraw/zinc/17/32/59/490173259.db2.gz GHBWQYIKJKZEGH-CABCVRRESA-N 0 3 353.444 0.312 20 30 FCEDHN CS(=O)(=O)N1CCC[C@@H](NC[C@@H](O)COc2ccccc2C#N)C1 ZINC000400234762 490173641 /nfs/dbraw/zinc/17/36/41/490173641.db2.gz GHBWQYIKJKZEGH-HUUCEWRRSA-N 0 3 353.444 0.312 20 30 FCEDHN N#Cc1c(F)cccc1N1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000408028846 490216596 /nfs/dbraw/zinc/21/65/96/490216596.db2.gz RAYSMCFDWASHSO-SFHVURJKSA-N 0 3 357.433 0.736 20 30 FCEDHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)CCC(C)(C)C#N)CC1 ZINC000564499372 491310877 /nfs/dbraw/zinc/31/08/77/491310877.db2.gz VINKJWOAXRPEFH-UHFFFAOYSA-N 0 3 358.508 0.742 20 30 FCEDHN C=CCN1CCC(NC(=O)N2C[C@H](OCCOC)C[C@H](CO)C2)CC1 ZINC000447771214 490274041 /nfs/dbraw/zinc/27/40/41/490274041.db2.gz WJJPGMMNAYOPBD-DOTOQJQBSA-N 0 3 355.479 0.692 20 30 FCEDHN C=CCN1CCC(NC(=O)N2C[C@H](CO)C[C@H](OCCOC)C2)CC1 ZINC000447771217 490274102 /nfs/dbraw/zinc/27/41/02/490274102.db2.gz WJJPGMMNAYOPBD-WBVHZDCISA-N 0 3 355.479 0.692 20 30 FCEDHN COc1cc(C#N)ccc1S(=O)(=O)NCCCCN1CCN(C)CC1 ZINC000547329653 490279539 /nfs/dbraw/zinc/27/95/39/490279539.db2.gz URXGTTJAHIUJMS-UHFFFAOYSA-N 0 3 366.487 0.873 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@]2(CO)CCOC2)cc1 ZINC000483572991 490331593 /nfs/dbraw/zinc/33/15/93/490331593.db2.gz HPWYGYNHLRPYTM-IAQYHMDHSA-N 0 3 353.400 0.645 20 30 FCEDHN C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](C)N2CCCC[C@H]2C)C1=O ZINC000522977283 490423928 /nfs/dbraw/zinc/42/39/28/490423928.db2.gz ZGIBWKDPTARSJG-CHWSQXEVSA-N 0 3 350.419 0.342 20 30 FCEDHN CN(CCC#N)C[C@H](O)CN[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000571874494 491334662 /nfs/dbraw/zinc/33/46/62/491334662.db2.gz JSBNTESMZMONFQ-DLBZAZTESA-N 0 3 360.458 0.462 20 30 FCEDHN Cc1c(C#N)cccc1C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000510024301 490485484 /nfs/dbraw/zinc/48/54/84/490485484.db2.gz RBEDPBHTFSMGKE-UHFFFAOYSA-N 0 3 354.414 0.993 20 30 FCEDHN CN1CCC(CNc2nc3c(cc2C#N)COCC3)(N2CCOCC2)CC1 ZINC000413486308 490502439 /nfs/dbraw/zinc/50/24/39/490502439.db2.gz XWTGIAARXPHLTJ-UHFFFAOYSA-N 0 3 371.485 1.234 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@@H](C)CS(C)(=O)=O)CC1 ZINC000565367581 491372443 /nfs/dbraw/zinc/37/24/43/491372443.db2.gz PEDHBXUOSPVWLE-ZDUSSCGKSA-N 0 3 359.492 0.035 20 30 FCEDHN Cc1ccc(C(=O)NCCN2CC[C@H](C)C2)cc1S(=O)(=O)NCC#N ZINC000524720538 490554068 /nfs/dbraw/zinc/55/40/68/490554068.db2.gz WUCJFPBWGMETTB-ZDUSSCGKSA-N 0 3 364.471 0.869 20 30 FCEDHN N#Cc1ncn(CC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)n1 ZINC000536434980 490577894 /nfs/dbraw/zinc/57/78/94/490577894.db2.gz XHUVZVDIVDFTSF-HOTGVXAUSA-N 0 3 354.414 0.149 20 30 FCEDHN CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000501708798 490636176 /nfs/dbraw/zinc/63/61/76/490636176.db2.gz IWNKXEHDQSGCNK-ZDUSSCGKSA-N 0 3 373.438 0.659 20 30 FCEDHN CN(CC(=O)NC[C@H]1CCCN1C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000502125869 490679967 /nfs/dbraw/zinc/67/99/67/490679967.db2.gz YMEXBZZXRJWWJV-CQSZACIVSA-N 0 3 350.444 0.389 20 30 FCEDHN CCN1CCC[C@H]1CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000503947746 490782527 /nfs/dbraw/zinc/78/25/27/490782527.db2.gz WNXFNICIAPJYLX-HNNXBMFYSA-N 0 3 364.471 0.779 20 30 FCEDHN CN(CCC#N)C[C@H](O)CNCc1cccc(N2CCCS2(=O)=O)c1 ZINC000514932515 490797962 /nfs/dbraw/zinc/79/79/62/490797962.db2.gz IYZOMEKIAURXFD-QGZVFWFLSA-N 0 3 366.487 0.522 20 30 FCEDHN N#CC(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1nc(N)nc(N)n1 ZINC000505414744 490829263 /nfs/dbraw/zinc/82/92/63/490829263.db2.gz LITMPBDCELDYJK-MRVPVSSYSA-N 0 3 353.264 0.841 20 30 FCEDHN CN1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@H](CN)C1 ZINC000515522140 490830438 /nfs/dbraw/zinc/83/04/38/490830438.db2.gz XBAHMZORNFVHAB-JKSUJKDBSA-N 0 3 374.464 0.950 20 30 FCEDHN COCC[C@]1(NCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CCOC1 ZINC000516240311 490857983 /nfs/dbraw/zinc/85/79/83/490857983.db2.gz WDTBUPBGQCTXPB-AEFFLSMTSA-N 0 3 352.479 0.464 20 30 FCEDHN C=CCN(C[C@@H](O)CN1CCOCC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000517528773 490910632 /nfs/dbraw/zinc/91/06/32/490910632.db2.gz HBMJYMUQVMJWDU-APWZRJJASA-N 0 3 372.473 0.904 20 30 FCEDHN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)NC1(C#N)CCN(C)CC1 ZINC000530597222 490915612 /nfs/dbraw/zinc/91/56/12/490915612.db2.gz GYISBZMJMQOBRZ-GFCCVEGCSA-N 0 3 354.414 0.785 20 30 FCEDHN N#CCCC[C@@H](N)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000518368879 490937964 /nfs/dbraw/zinc/93/79/64/490937964.db2.gz LRJKBOXLGNGBPP-OAHLLOKOSA-N 0 3 365.459 0.004 20 30 FCEDHN COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)C(C)C#N)CC2)c1 ZINC000531291415 490950455 /nfs/dbraw/zinc/95/04/55/490950455.db2.gz WOBJIBPKFBPZDH-SNVBAGLBSA-N 0 3 371.440 0.527 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](O)C2)cc1 ZINC000519602577 490979007 /nfs/dbraw/zinc/97/90/07/490979007.db2.gz HFIXJJLBDRSDJX-YPMHNXCESA-N 0 3 365.411 0.294 20 30 FCEDHN C=CCCc1ccccc1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000519639589 490981179 /nfs/dbraw/zinc/98/11/79/490981179.db2.gz AYABPKVWBIKQSM-CABCVRRESA-N 0 3 356.426 0.514 20 30 FCEDHN N#CCN1CCC(CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000532048517 490984330 /nfs/dbraw/zinc/98/43/30/490984330.db2.gz XEGFRRMMNOHEGH-HXUWFJFHSA-N 0 3 356.470 0.975 20 30 FCEDHN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H](C)N1CCCC1 ZINC000532262022 490990046 /nfs/dbraw/zinc/99/00/46/490990046.db2.gz CXAUGQRTBFYJQX-UONOGXRCSA-N 0 3 364.471 0.826 20 30 FCEDHN C[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)N1CCCC1 ZINC000532262021 490990124 /nfs/dbraw/zinc/99/01/24/490990124.db2.gz CXAUGQRTBFYJQX-KGLIPLIRSA-N 0 3 364.471 0.826 20 30 FCEDHN CN1CCN(Cc2ccc(CNC(=O)Cn3cnc(C#N)n3)cc2)CC1 ZINC000532279772 490990368 /nfs/dbraw/zinc/99/03/68/490990368.db2.gz MQOXOBHTHKNAEM-UHFFFAOYSA-N 0 3 353.430 0.214 20 30 FCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N(C)Cc1ncc[nH]1 ZINC000601425265 491917793 /nfs/dbraw/zinc/91/77/93/491917793.db2.gz ACPHSFGQTXNSML-UHFFFAOYSA-N 0 3 368.441 0.830 20 30 FCEDHN C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCN1C ZINC000554030771 491171962 /nfs/dbraw/zinc/17/19/62/491171962.db2.gz WLGCJTQLIQBQPD-HOCLYGCPSA-N 0 3 370.457 0.201 20 30 FCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@@H]3CCN(C(C)C)C3)CC2)o1 ZINC000562727736 491184885 /nfs/dbraw/zinc/18/48/85/491184885.db2.gz JFUKZHPKSMQOIJ-MRXNPFEDSA-N 0 3 374.489 0.918 20 30 FCEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(C)C1=O)C(C)C ZINC000572547299 491377660 /nfs/dbraw/zinc/37/76/60/491377660.db2.gz GNXGGNKKQRKHMH-CVEARBPZSA-N 0 3 364.490 0.538 20 30 FCEDHN COCCN(C)CCN1C[C@@H](NC(=O)c2cccc(CC#N)c2)CC1=O ZINC000572589374 491380146 /nfs/dbraw/zinc/38/01/46/491380146.db2.gz TUNGPQBXSKZBDS-KRWDZBQOSA-N 0 3 358.442 0.662 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@@H](C)CN2CCOCC2)CC1 ZINC000557768215 491396973 /nfs/dbraw/zinc/39/69/73/491396973.db2.gz VSJMDSHLPAJYHP-INIZCTEOSA-N 0 3 366.506 0.322 20 30 FCEDHN C=CCc1cc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc(OC)c1OC ZINC000566496185 491449113 /nfs/dbraw/zinc/44/91/13/491449113.db2.gz PKCUUPTUNQNSIR-LSDHHAIUSA-N 0 3 359.426 0.816 20 30 FCEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC[C@](O)(C(=O)N3CCCC3)C2)cc1 ZINC000573945285 491464676 /nfs/dbraw/zinc/46/46/76/491464676.db2.gz JWRDLTMNPYSBOL-FXAWDEMLSA-N 0 3 373.453 0.747 20 30 FCEDHN C=CCN(CC=C)[C@H](CNC(=O)CN(C)S(=O)(=O)N(C)C)C(C)C ZINC000574281266 491486251 /nfs/dbraw/zinc/48/62/51/491486251.db2.gz GODWZMQUMPWSGM-OAHLLOKOSA-N 0 3 360.524 0.539 20 30 FCEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000559705376 491493209 /nfs/dbraw/zinc/49/32/09/491493209.db2.gz SZDBVZBNBFAWJZ-DOTOQJQBSA-N 0 3 366.506 0.226 20 30 FCEDHN CN1CCN(CCCCNC(=O)C(=O)NCc2cccc(C#N)c2)CC1 ZINC000559723490 491493940 /nfs/dbraw/zinc/49/39/40/491493940.db2.gz VTBWLNNBBHMRIV-UHFFFAOYSA-N 0 3 357.458 0.318 20 30 FCEDHN CN(CCC#N)C[C@H](O)CN[C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC000574443077 491496864 /nfs/dbraw/zinc/49/68/64/491496864.db2.gz IMIBZWKAXLRYCO-UXHICEINSA-N 0 3 359.518 0.771 20 30 FCEDHN N#Cc1ccc(CS(=O)(=O)N2CCC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000574769903 491518843 /nfs/dbraw/zinc/51/88/43/491518843.db2.gz BPEUMDCYCWIJEP-INIZCTEOSA-N 0 3 360.443 0.775 20 30 FCEDHN CCN(CCC#N)S(=O)(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000575331612 491549393 /nfs/dbraw/zinc/54/93/93/491549393.db2.gz BVAXYADNPDCMNF-INIZCTEOSA-N 0 3 357.524 0.567 20 30 FCEDHN CC(C)N(C)C[C@H](C)NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 ZINC000568100530 491553221 /nfs/dbraw/zinc/55/32/21/491553221.db2.gz QBANJGGXYBZVIR-ZDUSSCGKSA-N 0 3 369.429 0.922 20 30 FCEDHN C[C@H](CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)N1CCCC1 ZINC000575630386 491556100 /nfs/dbraw/zinc/55/61/00/491556100.db2.gz KBNJAMBPDIGUIN-CYBMUJFWSA-N 0 3 367.413 0.678 20 30 FCEDHN COCCN(C)C[C@@H](O)CN1CCN(c2snc(C)c2C#N)CC1 ZINC000575811724 491562546 /nfs/dbraw/zinc/56/25/46/491562546.db2.gz CRRKKRLIZOWEIS-CQSZACIVSA-N 0 3 353.492 0.384 20 30 FCEDHN C=CCN1CCC(NC(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)CC1 ZINC000568372400 491572001 /nfs/dbraw/zinc/57/20/01/491572001.db2.gz RQDLDGZYCUBJQQ-INIZCTEOSA-N 0 3 363.506 0.490 20 30 FCEDHN CCS(=O)(=O)N(C)CCCNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000576326846 491605098 /nfs/dbraw/zinc/60/50/98/491605098.db2.gz FYBLFUZCTWSEEW-UHFFFAOYSA-N 0 3 373.500 0.593 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCN(CC(F)(F)F)CC2)CC1 ZINC000561412885 491605525 /nfs/dbraw/zinc/60/55/25/491605525.db2.gz ICLIFNRDLMSLTK-UHFFFAOYSA-N 0 3 362.396 0.460 20 30 FCEDHN CCN(CC)C[C@H](C)NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 ZINC000577519823 491628680 /nfs/dbraw/zinc/62/86/80/491628680.db2.gz GPRLNBLASATVBB-ZDUSSCGKSA-N 0 3 369.429 0.924 20 30 FCEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000569184706 491640414 /nfs/dbraw/zinc/64/04/14/491640414.db2.gz XMAQONUTPMCJKG-SJLPKXTDSA-N 0 3 364.490 0.917 20 30 FCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](CO)C3CCCC3)CC2)o1 ZINC000562072379 491651510 /nfs/dbraw/zinc/65/15/10/491651510.db2.gz NXKKBOUKOZBBKC-INIZCTEOSA-N 0 3 361.446 0.644 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CCOC[C@H]2C[C@@H](C)O)CC1 ZINC000579246027 491693931 /nfs/dbraw/zinc/69/39/31/491693931.db2.gz XWLMVABKAPVRPX-GDBMZVCRSA-N 0 3 353.463 0.141 20 30 FCEDHN C=CCCOCCNC(=O)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000580239621 491723185 /nfs/dbraw/zinc/72/31/85/491723185.db2.gz KGNXHFNKMKOGLO-SJORKVTESA-N 0 3 366.506 0.180 20 30 FCEDHN C[C@@H](NC(=O)C(=O)N(CCN(C)C)CCN(C)C)c1cccc(C#N)c1 ZINC000587706831 491735916 /nfs/dbraw/zinc/73/59/16/491735916.db2.gz XIDMQISYLUGNAW-OAHLLOKOSA-N 0 3 359.474 0.687 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCS(=O)CC2)cc1 ZINC000588291136 491743814 /nfs/dbraw/zinc/74/38/14/491743814.db2.gz CTBWVMBYRLFPHG-LLVKDONJSA-N 0 3 355.441 0.969 20 30 FCEDHN CN1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](CN)C1 ZINC000580941863 491752398 /nfs/dbraw/zinc/75/23/98/491752398.db2.gz FLMRPZMBRQSVTO-DLBZAZTESA-N 0 3 370.457 0.338 20 30 FCEDHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCN(c4ccccc4C#N)CC3)C[C@@H]21 ZINC000590975973 491790386 /nfs/dbraw/zinc/79/03/86/491790386.db2.gz MQYYCFVXIJVQKR-AEFFLSMTSA-N 0 3 367.453 0.369 20 30 FCEDHN N#Cc1ccc(S(=O)(=O)CCNCCCN2CCCS2(=O)=O)cc1 ZINC000591732869 491822944 /nfs/dbraw/zinc/82/29/44/491822944.db2.gz YAYFPJXGFMBUQM-UHFFFAOYSA-N 0 3 371.484 0.347 20 30 FCEDHN CN(C)CCn1nnnc1SC[C@H](O)COc1ccc(CC#N)cc1 ZINC000594889601 491871131 /nfs/dbraw/zinc/87/11/31/491871131.db2.gz LPOAOADNFTWANO-CQSZACIVSA-N 0 3 362.459 0.833 20 30 FCEDHN N#CC1(C[C@H](O)CNCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000600720590 491878570 /nfs/dbraw/zinc/87/85/70/491878570.db2.gz HSVDUJOCOXFBPA-ZDUSSCGKSA-N 0 3 368.415 0.517 20 30 FCEDHN N#CCCC[C@@H](N)C(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000595256029 491908159 /nfs/dbraw/zinc/90/81/59/491908159.db2.gz KUVMTFJRMCJTFJ-LLVKDONJSA-N 0 3 368.235 0.711 20 30 FCEDHN CCN1CCN(CCCCNC(=O)N2CCN(CCC#N)CC2)CC1 ZINC000601564519 491934435 /nfs/dbraw/zinc/93/44/35/491934435.db2.gz BETYUECXVBXRAH-UHFFFAOYSA-N 0 3 350.511 0.645 20 30 FCEDHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000602037163 491957944 /nfs/dbraw/zinc/95/79/44/491957944.db2.gz XOINOVNHNPPPJX-UHFFFAOYSA-N 0 3 361.421 0.732 20 30 FCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1nc(N)nc(N(C)C)n1 ZINC000596828019 492001720 /nfs/dbraw/zinc/00/17/20/492001720.db2.gz HIOCJEDMSXAPSV-UHFFFAOYSA-N 0 3 368.445 0.595 20 30 FCEDHN C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)n1cc(CNCC#N)nn1 ZINC000603212239 492019471 /nfs/dbraw/zinc/01/94/71/492019471.db2.gz QTQVXUKTNXBSES-DOTOQJQBSA-N 0 3 367.457 0.843 20 30 FCEDHN N#Cc1ccc(N2CCN(C[C@@H]3CCOC3)CC2)c(CS(N)(=O)=O)c1 ZINC000603308178 492026161 /nfs/dbraw/zinc/02/61/61/492026161.db2.gz KLIJDQVVSGGVOR-HNNXBMFYSA-N 0 3 364.471 0.505 20 30 FCEDHN CC(C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)S(C)(=O)=O ZINC000603836386 492043225 /nfs/dbraw/zinc/04/32/25/492043225.db2.gz RYICEVHPUQVYJR-SWLSCSKDSA-N 0 3 353.419 0.968 20 30 FCEDHN C=CCn1cc(C(=O)N[C@@H](CC(C)C)C(=O)N2CC[C@@H](N(C)C)C2)nn1 ZINC000615228231 492079876 /nfs/dbraw/zinc/07/98/76/492079876.db2.gz KMEHJHQSJGOWLQ-CABCVRRESA-N 0 3 362.478 0.771 20 30 FCEDHN CN1CCC(N2CC[C@H](NC(=O)C(=O)Nc3ccc(C#N)cc3F)C2)CC1 ZINC000615310990 492085637 /nfs/dbraw/zinc/08/56/37/492085637.db2.gz DWLUAXDJHMIURT-AWEZNQCLSA-N 0 3 373.432 0.921 20 30 FCEDHN CN(C)S(=O)(=O)N1CCN(C(=O)C(C#N)CCc2ccccc2)CC1 ZINC000598152732 492085874 /nfs/dbraw/zinc/08/58/74/492085874.db2.gz JKEFNLVTHRLTCS-INIZCTEOSA-N 0 3 364.471 0.710 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC2CC(CO)(CO)C2)cc1 ZINC000599789525 492208354 /nfs/dbraw/zinc/20/83/54/492208354.db2.gz BZWIJLCKLIDSJM-LLVKDONJSA-N 0 3 367.427 0.627 20 30 FCEDHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@]2(C#N)CCSC2)CC1=O ZINC000609582167 492215239 /nfs/dbraw/zinc/21/52/39/492215239.db2.gz UWNSMLLUWRMIKY-CKEIUWERSA-N 0 3 350.488 0.835 20 30 FCEDHN COc1ccc(C#N)cc1NC(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000609951656 492229267 /nfs/dbraw/zinc/22/92/67/492229267.db2.gz WTWQLXMRHGWXCW-UHFFFAOYSA-N 0 3 373.457 0.649 20 30 FCEDHN CN(C)C(=O)CN1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000619353750 492261511 /nfs/dbraw/zinc/26/15/11/492261511.db2.gz OJNLOTVKEIFEFC-QGZVFWFLSA-N 0 3 353.426 0.473 20 30 FCEDHN COC(=O)[C@H](O)C1CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000610995404 492273991 /nfs/dbraw/zinc/27/39/91/492273991.db2.gz DSGZBKYNXQDUIE-FUHWJXTLSA-N 0 3 362.426 0.738 20 30 FCEDHN CC(C)N1CCN(C2CCN(S(=O)(=O)N(C)CCC#N)CC2)CC1 ZINC000611167729 492280417 /nfs/dbraw/zinc/28/04/17/492280417.db2.gz LMJQWPNGNWRFEF-UHFFFAOYSA-N 0 3 357.524 0.567 20 30 FCEDHN C=C[C@H](CO)NC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000658918905 493110026 /nfs/dbraw/zinc/11/00/26/493110026.db2.gz WNGXFJFKQMLPOH-OAHLLOKOSA-N 0 3 360.458 0.819 20 30 FCEDHN CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccnn1C1CCN(CC)CC1 ZINC000646951788 493130981 /nfs/dbraw/zinc/13/09/81/493130981.db2.gz NGFSRKJVFQDKHG-CQSZACIVSA-N 0 3 361.446 0.369 20 30 FCEDHN CC#CCNCc1cn(CC(=O)NC[C@@H](c2ccccc2)N(C)C)nn1 ZINC000640837536 493135336 /nfs/dbraw/zinc/13/53/36/493135336.db2.gz UHFWNMYHNJWASI-SFHVURJKSA-N 0 3 354.458 0.810 20 30 FCEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CN(C)C(=O)[C@H]1C)C(C)C ZINC000646989206 493141966 /nfs/dbraw/zinc/14/19/66/493141966.db2.gz RMEMZPFZLRTOPY-HUUCEWRRSA-N 0 3 350.463 0.448 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000668836228 493418315 /nfs/dbraw/zinc/41/83/15/493418315.db2.gz UBPOTSBUPZMUGO-QGZVFWFLSA-N 0 3 364.490 0.076 20 30 FCEDHN C=C[C@H](CO)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000662164053 493493983 /nfs/dbraw/zinc/49/39/83/493493983.db2.gz XGLNHPNZMGDIBF-CQSZACIVSA-N 0 3 356.444 0.223 20 30 FCEDHN C[C@H](CNC(=O)NCCNC(=O)C1N=CC=CC1=O)N1CCC(C)CC1 ZINC000264733270 534103604 /nfs/dbraw/zinc/10/36/04/534103604.db2.gz HCWDPDPBNHFBOA-UPTRSRDDSA-N 0 3 363.462 0.932 20 30 FCEDHN C=CCn1cc(CNC(=O)[C@H]2CC(=O)N(C[C@@H]3CCCN3CC)C2)nn1 ZINC000424908669 534462364 /nfs/dbraw/zinc/46/23/64/534462364.db2.gz PXXDBTVESAGWPV-HOCLYGCPSA-N 0 3 360.462 0.413 20 30 FCEDHN N#CCCCS(=O)(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000264793067 534623900 /nfs/dbraw/zinc/62/39/00/534623900.db2.gz XWLAYCRIQLSIRR-UHFFFAOYSA-N 0 3 351.476 0.817 20 30 FCEDHN C=CCN(CCOC)C(=O)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000410910541 526277601 /nfs/dbraw/zinc/27/76/01/526277601.db2.gz ONJLKQXBTUYCRK-INIZCTEOSA-N 0 3 366.506 0.274 20 30 FCEDHN C=CCNC(=O)CNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000181191236 526547270 /nfs/dbraw/zinc/54/72/70/526547270.db2.gz UOGCEKKUACBCNX-GJZGRUSLSA-N 0 3 352.479 0.819 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)NC2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000069442648 526589365 /nfs/dbraw/zinc/58/93/65/526589365.db2.gz VZXOCVDOPLAXRE-UHFFFAOYSA-N 0 3 365.522 0.879 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000117965899 526596053 /nfs/dbraw/zinc/59/60/53/526596053.db2.gz RIYAHGOLQHKWKS-INIZCTEOSA-N 0 3 360.462 0.865 20 30 FCEDHN C#CCNC(=O)CN1CCCN(C(=O)c2cccc(-c3nnc[nH]3)c2)CC1 ZINC000129264994 526999260 /nfs/dbraw/zinc/99/92/60/526999260.db2.gz PKBAUBMCJCEVQC-UHFFFAOYSA-N 0 3 366.425 0.369 20 30 FCEDHN C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(CC=C)CC2)cc1 ZINC000171721389 527048972 /nfs/dbraw/zinc/04/89/72/527048972.db2.gz KDRBKFBZGDLABO-UHFFFAOYSA-N 0 3 361.467 0.978 20 30 FCEDHN CC(C)(CN1CCOCC1)NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000412000577 527087838 /nfs/dbraw/zinc/08/78/38/527087838.db2.gz VXBOPXBPKMWEMW-UHFFFAOYSA-N 0 3 352.460 0.427 20 30 FCEDHN Cc1nc(S(=O)(=O)NCC(=O)NCCN2CCC[C@@H](C)C2)cn1C ZINC000328836409 546524997 /nfs/dbraw/zinc/52/49/97/546524997.db2.gz XMNVPRZMBWHTEK-GFCCVEGCSA-N 0 3 357.480 0.695 20 30 FCEDHN CCN1CCC[C@@H]1CNC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000329823181 546566192 /nfs/dbraw/zinc/56/61/92/546566192.db2.gz ZJWSCPPQFNAKNJ-CYBMUJFWSA-N 0 3 364.537 0.353 20 30 FCEDHN CCN1CCCC[C@H]1CNC(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000330243446 546591470 /nfs/dbraw/zinc/59/14/70/546591470.db2.gz WVGGTZZNUATAAK-LBPRGKRZSA-N 0 3 353.496 1.031 20 30 FCEDHN CN(CCC#N)C[C@@H](O)CNCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000591760077 546599359 /nfs/dbraw/zinc/59/93/59/546599359.db2.gz DDSCVTCQQWNFIY-KRWDZBQOSA-N 0 3 366.487 0.522 20 30 FCEDHN CC(C)(CNC[C@H](O)COc1ccc(CC#N)cc1)NS(C)(=O)=O ZINC000591735597 546599432 /nfs/dbraw/zinc/59/94/32/546599432.db2.gz REWGTSYNSMWMDJ-AWEZNQCLSA-N 0 3 355.460 0.410 20 30 FCEDHN N#Cc1ccccc1S(=O)(=O)[N-]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000592387414 546949551 /nfs/dbraw/zinc/94/95/51/546949551.db2.gz AAYXOYBXUBMROV-ZDUSSCGKSA-N 0 3 362.377 0.673 20 30 FCEDHN C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2N(C)CCCC2(C)C)C1=O ZINC000548732128 547063120 /nfs/dbraw/zinc/06/31/20/547063120.db2.gz KGBHHFDOOLURDR-LBPRGKRZSA-N 0 3 350.419 0.200 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)CC1 ZINC000553326932 547270291 /nfs/dbraw/zinc/27/02/91/547270291.db2.gz IRGCBGLGNPHDNN-QWHCGFSZSA-N 0 3 359.492 0.033 20 30 FCEDHN CNC(NCCCc1nn(-c2ccc(F)cc2)c(N)c1-c1nnn[n-]1)=[NH+]C ZINC000736868514 598537222 /nfs/dbraw/zinc/53/72/22/598537222.db2.gz SHVNUVAPEAEKIM-UHFFFAOYSA-N 0 3 372.412 0.501 20 30 FCEDHN C=CCN1CCC(NC(=S)NCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000729942824 665754416 /nfs/dbraw/zinc/75/44/16/665754416.db2.gz TXFMPUNCVDKZIF-UHFFFAOYSA-N 0 3 368.528 0.949 20 30 FCEDHN CCOCCCNC(=O)C(C#N)C(=O)Cc1c(Br)cnn1C ZINC000892459089 663928584 /nfs/dbraw/zinc/92/85/84/663928584.db2.gz RWIJNTCDNOCZBG-SNVBAGLBSA-N 0 3 371.235 0.977 20 30 FCEDHN CCS(=O)(=O)N1CCC[C@H](C(=O)C(C#N)C(=O)NC2CCCC2)C1 ZINC000729070151 665230606 /nfs/dbraw/zinc/23/06/06/665230606.db2.gz MCCSKXPCMHLJQQ-JSGCOSHPSA-N 0 3 355.460 0.816 20 30 FCEDHN C#CCN(C)CCCNC(=O)CSc1ccc(S(N)(=O)=O)cc1 ZINC000908435929 666207693 /nfs/dbraw/zinc/20/76/93/666207693.db2.gz LUVDCVUOFLMNSC-UHFFFAOYSA-N 0 3 355.485 0.497 20 30 FCEDHN C[C@@H](Oc1ccccc1)C(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000732910395 666911509 /nfs/dbraw/zinc/91/15/09/666911509.db2.gz OUAYBWAJIPHHAP-TZMCWYRMSA-N 0 3 350.396 0.420 20 30 FCEDHN COc1ccc(NC(=O)C(C#N)C(=O)CN(C)S(C)(=O)=O)cc1OC ZINC000916935820 667038218 /nfs/dbraw/zinc/03/82/18/667038218.db2.gz VGLMDLHHCHHZOM-LLVKDONJSA-N 0 3 369.399 0.243 20 30 FCEDHN CC(C)NC(=O)C(C#N)C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000916946651 667040516 /nfs/dbraw/zinc/04/05/16/667040516.db2.gz CJYSIKNZYKNQHL-LBPRGKRZSA-N 0 3 362.411 0.301 20 30 FCEDHN CNC(=O)C(C#N)C(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000917002307 667043904 /nfs/dbraw/zinc/04/39/04/667043904.db2.gz GXXUQVKBOYZDEA-CYBMUJFWSA-N 0 3 355.391 0.681 20 30 FCEDHN C=C(Br)CNC1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC000996990874 667055822 /nfs/dbraw/zinc/05/58/22/667055822.db2.gz JNXQCRRZAQTQSP-NWDGAFQWSA-N 0 3 360.252 0.509 20 30 FCEDHN N#CC(C(=O)C[C@H]1CSCCS1)C(=O)N1CCS(=O)(=O)CC1 ZINC000752497555 667519316 /nfs/dbraw/zinc/51/93/16/667519316.db2.gz KIAQWPWBLSMOFX-WDEREUQCSA-N 0 3 362.498 0.191 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H](C(C)C)N(C)C ZINC001058251056 667599429 /nfs/dbraw/zinc/59/94/29/667599429.db2.gz TVXVSBORFVPPFN-OWCLPIDISA-N 0 3 355.479 0.101 20 30 FCEDHN C#CCN(C)CCCNC(=O)N1C[C@H](C(=O)NCCOC)CC[C@@H]1C ZINC000838623261 667946349 /nfs/dbraw/zinc/94/63/49/667946349.db2.gz XVGKCDQRTYGPMF-JKSUJKDBSA-N 0 3 352.479 0.514 20 30 FCEDHN C=CCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(C)C ZINC000839245865 667984364 /nfs/dbraw/zinc/98/43/64/667984364.db2.gz DNWUBVUHLUFNHC-HNNXBMFYSA-N 0 3 350.463 0.174 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)CC1 ZINC000804891532 668051500 /nfs/dbraw/zinc/05/15/00/668051500.db2.gz NHRMOYBAXMQBIT-OAHLLOKOSA-N 0 3 351.447 0.555 20 30 FCEDHN N#CC(C(=O)CCCOc1cccnc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000744130583 668056181 /nfs/dbraw/zinc/05/61/81/668056181.db2.gz NYKLZLQBELLUTH-CQSZACIVSA-N 0 3 365.411 0.206 20 30 FCEDHN COCCNC(=O)C(C#N)C(=O)COC1CN(C(=O)OC(C)(C)C)C1 ZINC000777292005 668318372 /nfs/dbraw/zinc/31/83/72/668318372.db2.gz DMTAEVWIWRMOSX-LBPRGKRZSA-N 0 3 355.391 0.094 20 30 FCEDHN C#CCN(C)CCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21 ZINC000818595876 668918466 /nfs/dbraw/zinc/91/84/66/668918466.db2.gz PZFWYHFTTCISRA-OFQRWUPVSA-N 0 3 352.504 0.784 20 30 FCEDHN N#Cc1ccc([C@@H](O)CNCCS(=O)(=O)NC[C@H]2CCCCO2)cc1 ZINC000819052531 668974775 /nfs/dbraw/zinc/97/47/75/668974775.db2.gz FTRIGMXNKQFZNI-SJORKVTESA-N 0 3 367.471 0.670 20 30 FCEDHN N#Cc1ccc([C@H](O)CNCCNS(=O)(=O)Cc2ccon2)cc1 ZINC000819136573 668983054 /nfs/dbraw/zinc/98/30/54/668983054.db2.gz KZCCAOYQMPAXMM-OAHLLOKOSA-N 0 3 350.400 0.289 20 30 FCEDHN CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)C(C#N)C(=O)NC1CC1 ZINC000796793694 669126834 /nfs/dbraw/zinc/12/68/34/669126834.db2.gz PZQJMBVEYSEVGN-STQMWFEESA-N 0 3 351.403 1.000 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804051623 669355176 /nfs/dbraw/zinc/35/51/76/669355176.db2.gz AIGKGHKHDQGNLT-WCVJEAGWSA-N 0 3 351.447 0.063 20 30 FCEDHN C#C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc1cccs1)[C@@H]1CCCO1 ZINC000809307520 669618093 /nfs/dbraw/zinc/61/80/93/669618093.db2.gz FBXKDNIXXRWWGC-CVEARBPZSA-N 0 3 363.483 0.935 20 30 FCEDHN C#CCN1CCC(C(=O)NCc2ccc(OC)c(S(N)(=O)=O)c2)CC1 ZINC000811542847 669757977 /nfs/dbraw/zinc/75/79/77/669757977.db2.gz HQBVYXQLZRWZFR-UHFFFAOYSA-N 0 3 365.455 0.304 20 30 FCEDHN C#CCNC(=O)CCN1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000815048228 669897550 /nfs/dbraw/zinc/89/75/50/669897550.db2.gz NWEZYJLOWACFOQ-UHFFFAOYSA-N 0 3 369.409 0.414 20 30 FCEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC ZINC000815083218 669898997 /nfs/dbraw/zinc/89/89/97/669898997.db2.gz RDDKGRDBJPCWKF-UHFFFAOYSA-N 0 3 351.428 0.848 20 30 FCEDHN C[C@H](CC(=O)NC(C)(C)C[NH+](C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000837238986 670090770 /nfs/dbraw/zinc/09/07/70/670090770.db2.gz FIVAXFHEVHCYSG-GFCCVEGCSA-N 0 3 366.487 0.960 20 30 FCEDHN C#CCN(C)CCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000818589088 670115934 /nfs/dbraw/zinc/11/59/34/670115934.db2.gz PZFWYHFTTCISRA-DZKIICNBSA-N 0 3 352.504 0.784 20 30 FCEDHN CCCCCCO[C@H](C)C(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000842306481 670666256 /nfs/dbraw/zinc/66/62/56/670666256.db2.gz LIYURPVULKXQQB-KGLIPLIRSA-N 0 3 358.460 0.938 20 30 FCEDHN C[C@H]([NH3+])C[C@H](C)NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000843506787 670834943 /nfs/dbraw/zinc/83/49/43/670834943.db2.gz JKYYZRNABXYLPU-SRVKXCTJSA-N 0 3 352.460 0.746 20 30 FCEDHN C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848131120 671252021 /nfs/dbraw/zinc/25/20/21/671252021.db2.gz YTAJSGNRTWGVSR-VXGBXAGGSA-N 0 3 358.439 0.328 20 30 FCEDHN C#CCN(CC(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1)C(=O)OC(C)(C)C ZINC000861719519 671984877 /nfs/dbraw/zinc/98/48/77/671984877.db2.gz JJRZJFAUGSLOIG-LSDHHAIUSA-N 0 3 351.447 0.524 20 30 FCEDHN C=CCc1cc(CNCC[C@@H]2CNCCS2(=O)=O)cc(OC)c1O ZINC000903967653 675984565 /nfs/dbraw/zinc/98/45/65/675984565.db2.gz FIAMUAPIZFVLJT-OAHLLOKOSA-N 0 3 354.472 0.996 20 30 FCEDHN C=CCCSCCNC(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000867810474 672370475 /nfs/dbraw/zinc/37/04/75/672370475.db2.gz VHGIJRWXQFCGAW-UHFFFAOYSA-N 0 3 368.547 0.650 20 30 FCEDHN C#CCC1(O)CCN(C(=O)NC[C@@H](C)CN2CCN(CC)CC2)CC1 ZINC000883460179 673376963 /nfs/dbraw/zinc/37/69/63/673376963.db2.gz RDIOPSBNKWPBMI-QGZVFWFLSA-N 0 3 350.507 0.820 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H](CC)N(C)C ZINC001057975595 676136101 /nfs/dbraw/zinc/13/61/01/676136101.db2.gz YKWGOYKEQBNIEE-OAGGEKHMSA-N 0 3 355.479 0.245 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000883677394 673390774 /nfs/dbraw/zinc/39/07/74/673390774.db2.gz NFERTOOZNMPXMI-CABCVRRESA-N 0 3 350.463 0.845 20 30 FCEDHN CCCCN(C(=O)C1CC2(C1)CNC[C@@H]2C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000884052812 673418824 /nfs/dbraw/zinc/41/88/24/673418824.db2.gz CCPVYRRIOBWVMT-KRIMKBQASA-N 0 3 353.488 0.942 20 30 FCEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CCS(=O)(=O)[C@@H]3CCCC[C@@H]31)C2 ZINC000884137321 673429756 /nfs/dbraw/zinc/42/97/56/673429756.db2.gz JLPYIFYROJDDGU-WCCAFZKYSA-N 0 3 351.472 0.694 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NCCN(CCO)C(=O)CN(C)CCC ZINC001058255236 676145273 /nfs/dbraw/zinc/14/52/73/676145273.db2.gz HXTWNMCYBCKXOS-CVEARBPZSA-N 0 3 355.479 0.247 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NCC(=O)N2CCOCC2)C1 ZINC001018864899 675418079 /nfs/dbraw/zinc/41/80/79/675418079.db2.gz AUOYDHYXHZDCQN-XHSDSOJGSA-N 0 3 351.447 0.017 20 30 FCEDHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1O ZINC001041402674 675519979 /nfs/dbraw/zinc/51/99/79/675519979.db2.gz AAJOTLZOFDIMDU-QLFBSQMISA-N 0 3 363.487 0.863 20 30 FCEDHN Cc1[nH]cnc1CC(=O)N[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@@H]1O ZINC001044100699 675616157 /nfs/dbraw/zinc/61/61/57/675616157.db2.gz JKARVKYYPGGUNF-KGLIPLIRSA-N 0 3 360.805 0.547 20 30 FCEDHN C=CCN(C(=O)CCCN1CCN(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000900309660 675673683 /nfs/dbraw/zinc/67/36/83/675673683.db2.gz HGENXXWQNSWQTL-KRWDZBQOSA-N 0 3 371.547 0.994 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)C[C@H]3CCOC3)[C@@H]2C)CC1 ZINC000988506020 1192237318 /nfs/dbraw/zinc/23/73/18/1192237318.db2.gz IIVRIIUCEQFFNQ-NUJGCVRESA-N 0 3 361.486 0.864 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)Cn3cccn3)[C@@H]2C)CC1 ZINC000988506171 1192237421 /nfs/dbraw/zinc/23/74/21/1192237421.db2.gz JLFJEUBDKREESK-WBVHZDCISA-N 0 3 357.458 0.334 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)[C@]3(F)CCOC3)[C@@H]2C)CC1 ZINC000988506734 1192238230 /nfs/dbraw/zinc/23/82/30/1192238230.db2.gz ODYJOYSUPNAXIC-ALKREAHSSA-N 0 3 365.449 0.566 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C)CC1 ZINC000988506743 1192238252 /nfs/dbraw/zinc/23/82/52/1192238252.db2.gz OLBFQCKPFFVFKI-PBHICJAKSA-N 0 3 367.453 0.951 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)c3c(C)cnn3C)[C@@H]2C)CC1 ZINC000988506739 1192238475 /nfs/dbraw/zinc/23/84/75/1192238475.db2.gz OHYUVKDDKPLXNK-WBVHZDCISA-N 0 3 371.485 0.793 20 30 FCEDHN C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@@H]1O ZINC000969412402 1167936370 /nfs/dbraw/zinc/93/63/70/1167936370.db2.gz DUKGEWGNYLXSTM-IPELMVKDSA-N 0 3 369.465 0.383 20 30 FCEDHN C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@@H]1O ZINC000969418794 1167944517 /nfs/dbraw/zinc/94/45/17/1167944517.db2.gz QMGGLJNQMFYRSN-LZQZEXGQSA-N 0 3 369.465 0.240 20 30 FCEDHN N#Cc1ccc(CN[C@H]2C[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)c(F)c1 ZINC001020581471 1168099378 /nfs/dbraw/zinc/09/93/78/1168099378.db2.gz GSKPBEGAWLRVKB-DARAHFNDSA-N 0 3 360.389 0.467 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C1 ZINC001021710581 1169910683 /nfs/dbraw/zinc/91/06/83/1169910683.db2.gz OQTHUQAAMQMEKG-OKZBNKHCSA-N 0 3 358.486 0.239 20 30 FCEDHN C=CCn1cc(C(=O)N2CCO[C@@H]3CN(CC[C@H]4CCOC4)C[C@@H]32)nn1 ZINC001083218059 1170289494 /nfs/dbraw/zinc/28/94/94/1170289494.db2.gz ZHSVTFYSMNKTBT-BHYGNILZSA-N 0 3 361.446 0.416 20 30 FCEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)c3ccc4n[nH]c(=O)n4c3)[C@H]2C1 ZINC001083221684 1170648589 /nfs/dbraw/zinc/64/85/89/1170648589.db2.gz NIGZHIUJGAZUEX-LSDHHAIUSA-N 0 3 357.414 0.926 20 30 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C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000329095479 1171992412 /nfs/dbraw/zinc/99/24/12/1171992412.db2.gz XVQJRPVRZKMPQT-SIXWZSSISA-N 0 3 364.490 0.832 20 30 FCEDHN CCN1CC[C@@H](N2CC[C@@H]3CN(C(=O)CSCC#N)C[C@@H]3C2)C1=O ZINC001691541888 1192602767 /nfs/dbraw/zinc/60/27/67/1192602767.db2.gz MVQQOVDGCUYXAJ-QLFBSQMISA-N 0 3 350.488 0.644 20 30 FCEDHN C#CCOc1ncccc1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@@H]1C ZINC000989161558 1192716579 /nfs/dbraw/zinc/71/65/79/1192716579.db2.gz UJLYOZRXLWNTMI-HYVNUMGLSA-N 0 3 370.453 0.907 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1C[C@@]2(CN(C(=O)CC(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105587349 1192835075 /nfs/dbraw/zinc/83/50/75/1192835075.db2.gz GBZKLAWQONBNIT-YKCBXCCJSA-N 0 3 363.502 0.748 20 30 FCEDHN CC(C)CC(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC(=O)NCC#N)C2)[C@@H]1C(C)C ZINC001105587530 1192835406 /nfs/dbraw/zinc/83/54/06/1192835406.db2.gz JATAJRJIRAYHCX-LTDCPUDJSA-N 0 3 364.490 0.638 20 30 FCEDHN 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FCEDHN COC(=O)c1ccc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)c(C#N)n1 ZINC000594562769 1196728967 /nfs/dbraw/zinc/72/89/67/1196728967.db2.gz VUNKOSSDWNHWKB-MRXNPFEDSA-N 0 3 357.414 0.483 20 30 FCEDHN CN(C)C(=O)CN1CCC2(C1)CCN(C(=O)C#Cc1ccccn1)CC2 ZINC001272382744 1197051053 /nfs/dbraw/zinc/05/10/53/1197051053.db2.gz CTWOWGVSTRCSFQ-UHFFFAOYSA-N 0 3 354.454 0.836 20 30 FCEDHN C=CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]2(CC)c1cccc(NC(=O)[C@@H](N)CN)c1 ZINC001219533946 1224500712 /nfs/dbraw/zinc/50/07/12/1224500712.db2.gz SBLULQGBHPIOCZ-ZTENYAIWSA-N 0 3 356.426 0.360 20 30 FCEDHN C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N1CCCCC1)C2 ZINC001109289587 1200147281 /nfs/dbraw/zinc/14/72/81/1200147281.db2.gz MYWRZPLUTQWXAX-IKGGRYGDSA-N 0 3 360.502 0.722 20 30 FCEDHN C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc3c1CCCC3)C2 ZINC001109481167 1200319008 /nfs/dbraw/zinc/31/90/08/1200319008.db2.gz VPHJEZKISNDFQN-RMHZUWNSSA-N 0 3 369.469 0.762 20 30 FCEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)CC(=O)NC(C)C)C2 ZINC001109486038 1200326580 /nfs/dbraw/zinc/32/65/80/1200326580.db2.gz DCRZGISONKHXQW-IKGGRYGDSA-N 0 3 366.506 0.367 20 30 FCEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)C2 ZINC001109541771 1200368797 /nfs/dbraw/zinc/36/87/97/1200368797.db2.gz NBRKJKSZLZCUSE-NRKLIOEPSA-N 0 3 365.474 0.724 20 30 FCEDHN CCN1CCN(C[C@@H](C)CNC(=O)NCCNc2ccc(C#N)cn2)CC1 ZINC000745529059 1200443429 /nfs/dbraw/zinc/44/34/29/1200443429.db2.gz LXMQNIVJPQPCTI-INIZCTEOSA-N 0 3 373.505 0.938 20 30 FCEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)COC)C(C)C)C2 ZINC001109813901 1200539586 /nfs/dbraw/zinc/53/95/86/1200539586.db2.gz AYDHJYUUABTEDI-CVYDXHPNSA-N 0 3 367.490 0.698 20 30 FCEDHN N#Cc1ccc([C@H](N)CC(=O)NCc2cc(=O)n3c(n2)CNCCC3)cc1 ZINC001219805878 1224625527 /nfs/dbraw/zinc/62/55/27/1224625527.db2.gz FUTQUPSMBUJORD-MRXNPFEDSA-N 0 3 366.425 0.315 20 30 FCEDHN CCOC(=O)CON=C(C(=O)NC[C@H]1CCCCN1CC)c1cc[nH]n1 ZINC000772254370 1200720915 /nfs/dbraw/zinc/72/09/15/1200720915.db2.gz NYRFVOQSKXPBFN-CYBMUJFWSA-N 0 3 365.434 0.684 20 30 FCEDHN C[C@H](NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(C#N)cc1 ZINC000787349902 1200879552 /nfs/dbraw/zinc/87/95/52/1200879552.db2.gz NYDRYUXVCPLKIP-XKQJLSEDSA-N 0 3 356.426 0.715 20 30 FCEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCNc1ncccc1C#N ZINC000787788464 1200911418 /nfs/dbraw/zinc/91/14/18/1200911418.db2.gz YXJYRJSGDBYNGA-CABCVRRESA-N 0 3 372.473 0.718 20 30 FCEDHN CCc1nc(C#N)cc(N2C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)n1 ZINC001090460232 1201177439 /nfs/dbraw/zinc/17/74/39/1201177439.db2.gz UAWZXNUUILTCND-CPUCHLNUSA-N 0 3 360.462 0.163 20 30 FCEDHN C=CCCOCC(=O)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129476297 1201321983 /nfs/dbraw/zinc/32/19/83/1201321983.db2.gz BLWGLODDFQPHMZ-ZACQAIPSSA-N 0 3 363.462 0.781 20 30 FCEDHN C=CCCOCC(=O)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129476727 1201323220 /nfs/dbraw/zinc/32/32/20/1201323220.db2.gz PAWHJRRRFGMLDW-ZACQAIPSSA-N 0 3 363.462 0.639 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)[C@H](C)OCC2CC2)C[C@@H]1n1ccnn1 ZINC001129695916 1201372216 /nfs/dbraw/zinc/37/22/16/1201372216.db2.gz JJOLLYAHHZCSMS-UAGQMJEPSA-N 0 3 363.462 0.637 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)[C@@H](C)n2cccc2)C[C@@H]1n1ccnn1 ZINC001129748251 1201387949 /nfs/dbraw/zinc/38/79/49/1201387949.db2.gz UEUJRWJYOOSCCL-ZACQAIPSSA-N 0 3 358.446 0.885 20 30 FCEDHN CCCCOCCN[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1n1ccnn1 ZINC001129777766 1201394475 /nfs/dbraw/zinc/39/44/75/1201394475.db2.gz AQBDSZZWLSGRKV-SJORKVTESA-N 0 3 371.445 0.950 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2cncc3nc[nH]c32)C[C@@H]1n1ccnn1 ZINC001129864035 1201407874 /nfs/dbraw/zinc/40/78/74/1201407874.db2.gz NYPBNJJAUURZDO-CABCVRRESA-N 0 3 350.386 0.228 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)CCc2ccncn2)C[C@@H]1n1ccnn1 ZINC001129876451 1201419539 /nfs/dbraw/zinc/41/95/39/1201419539.db2.gz QXKLMGZBYPVKON-SJORKVTESA-N 0 3 371.445 0.245 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)CCc2cccnc2)C[C@@H]1n1ccnn1 ZINC001129924584 1201443654 /nfs/dbraw/zinc/44/36/54/1201443654.db2.gz BQAGQMHTJOJRND-MSOLQXFVSA-N 0 3 370.457 0.850 20 30 FCEDHN C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](NCCOCC)[C@@H](n2ccnn2)C1 ZINC001129954231 1201448876 /nfs/dbraw/zinc/44/88/76/1201448876.db2.gz DHUBFANSUWTNMT-RYRKJORJSA-N 0 3 365.478 0.885 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H](OCC)C2CCOCC2)C[C@@H]1n1ccnn1 ZINC001129954292 1201449187 /nfs/dbraw/zinc/44/91/87/1201449187.db2.gz GSNOTAVBXCYNJJ-IXDOHACOSA-N 0 3 363.462 0.637 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@H]2CCc3nc[nH]c3C2)C[C@@H]1n1ccnn1 ZINC001130077432 1201495308 /nfs/dbraw/zinc/49/53/08/1201495308.db2.gz INFHZSUGRKZRLV-XKQJLSEDSA-N 0 3 353.430 0.171 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@H]2CCc3[nH]cnc3C2)C[C@@H]1n1ccnn1 ZINC001130077432 1201495312 /nfs/dbraw/zinc/49/53/12/1201495312.db2.gz INFHZSUGRKZRLV-XKQJLSEDSA-N 0 3 353.430 0.171 20 30 FCEDHN C#C[C@@H](NC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1)[C@@H]1CCCO1 ZINC000805156845 1201499709 /nfs/dbraw/zinc/49/97/09/1201499709.db2.gz DGPHKESZSIJFTN-CVEARBPZSA-N 0 3 365.474 0.289 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)C[C@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001130129612 1201508940 /nfs/dbraw/zinc/50/89/40/1201508940.db2.gz PHTCWVDAUXETHR-ZACQAIPSSA-N 0 3 363.462 0.639 20 30 FCEDHN C=CCO[C@@H](C)C(=O)N1C[C@@H](NCCn2cccn2)[C@@H](n2ccnn2)C1 ZINC001130151493 1201517438 /nfs/dbraw/zinc/51/74/38/1201517438.db2.gz SYNVVVYROALYQH-XHSDSOJGSA-N 0 3 359.434 0.107 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnccn2)[n-]1 ZINC001130177830 1201523412 /nfs/dbraw/zinc/52/34/12/1201523412.db2.gz WOKVRGDAYDMQQC-JSGCOSHPSA-N 0 3 355.402 0.010 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cncnc2C)[n-]1 ZINC001130187028 1201528035 /nfs/dbraw/zinc/52/80/35/1201528035.db2.gz SKMYEPNXIBEIKY-ZFWWWQNUSA-N 0 3 369.429 0.319 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2n[nH]c(C)c2C)[n-]1 ZINC001130195806 1201531709 /nfs/dbraw/zinc/53/17/09/1201531709.db2.gz CZRFXSPLMZHHGK-STQMWFEESA-N 0 3 357.418 0.170 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C)n2C)[n-]1 ZINC001130182950 1201535938 /nfs/dbraw/zinc/53/59/38/1201535938.db2.gz IDFKUGAIUFPSOW-HOCLYGCPSA-N 0 3 370.457 0.867 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccc(CC)n2)[n-]1 ZINC001130220549 1201545083 /nfs/dbraw/zinc/54/50/83/1201545083.db2.gz CXZQZDKEHUMPTA-HOCLYGCPSA-N 0 3 368.441 0.787 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(CCC)n[nH]2)[n-]1 ZINC001130224812 1201553394 /nfs/dbraw/zinc/55/33/94/1201553394.db2.gz CTXGEQZIJUAJKF-ZFWWWQNUSA-N 0 3 371.445 0.506 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)[n-]1 ZINC001130224869 1201554248 /nfs/dbraw/zinc/55/42/48/1201554248.db2.gz GJRFSGJHQYSOPR-ZIUCBDDQSA-N 0 3 357.458 0.952 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](OC)C2CCC2)[n-]1 ZINC001130225064 1201554433 /nfs/dbraw/zinc/55/44/33/1201554433.db2.gz QMWFRXPMVJTVMY-DZKIICNBSA-N 0 3 361.446 0.331 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ocnc2CC)[n-]1 ZINC001130234911 1201559456 /nfs/dbraw/zinc/55/94/56/1201559456.db2.gz OWRHQPYWDGOPJL-AAEUAGOBSA-N 0 3 358.402 0.380 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)c2ccco2)[n-]1 ZINC001130238007 1201560797 /nfs/dbraw/zinc/56/07/97/1201560797.db2.gz NZHRGSORXLWCSN-YDHLFZDLSA-N 0 3 357.414 0.913 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccnc(C)c2)[n-]1 ZINC001130244554 1201563335 /nfs/dbraw/zinc/56/33/35/1201563335.db2.gz JVGKEAWLQPIJGF-GJZGRUSLSA-N 0 3 354.414 0.533 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccnc(C)n2)[n-]1 ZINC001130249238 1201569072 /nfs/dbraw/zinc/56/90/72/1201569072.db2.gz RJNNOKSAVXAHQV-ZFWWWQNUSA-N 0 3 369.429 0.319 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)OCCOC)CC1 ZINC001130304843 1201581186 /nfs/dbraw/zinc/58/11/86/1201581186.db2.gz BZHVMKHHMZPJJB-KYJSFNMBSA-N 0 3 367.490 0.699 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCCCC(N)=O)CC1 ZINC001130305218 1201581309 /nfs/dbraw/zinc/58/13/09/1201581309.db2.gz OCLRQJFDBQNKAZ-BEFAXECRSA-N 0 3 364.490 0.694 20 30 FCEDHN C#C[C@H](NC(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1)[C@H]1CCCO1 ZINC000805943358 1201591027 /nfs/dbraw/zinc/59/10/27/1201591027.db2.gz VBYMSVMLZJFMSC-BPQIPLTHSA-N 0 3 357.454 0.920 20 30 FCEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)[C@@H](O)C1 ZINC001219951438 1224697750 /nfs/dbraw/zinc/69/77/50/1224697750.db2.gz KFVAJYRTJXLTHH-GLQYFDAESA-N 0 3 360.414 0.542 20 30 FCEDHN CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCc2cncn2C)C1 ZINC001130583926 1202722935 /nfs/dbraw/zinc/72/29/35/1202722935.db2.gz YPEXXWLRVQNBDB-FUHWJXTLSA-N 0 3 354.458 0.897 20 30 FCEDHN C#CCOCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCc2ccnn2C)C1 ZINC001130587742 1202724075 /nfs/dbraw/zinc/72/40/75/1202724075.db2.gz ZBGQPSIKFSQUQW-FUHWJXTLSA-N 0 3 370.457 0.278 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C2(COC)CCOCC2)C[C@H]1c1cn(C)cn1 ZINC001130602888 1202732714 /nfs/dbraw/zinc/73/27/14/1202732714.db2.gz SLAFEZFAWYFHEM-DOTOQJQBSA-N 0 3 362.474 0.933 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2cc(CN(C)C)on2)C[C@H]1c1cn(C)cn1 ZINC001130619608 1202738335 /nfs/dbraw/zinc/73/83/35/1202738335.db2.gz ZJWLCWPKZLYSFT-MAUKXSAKSA-N 0 3 370.457 0.691 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CCNC(=O)c2ccco2)C[C@H]1c1cn(C)cn1 ZINC001130723330 1202766819 /nfs/dbraw/zinc/76/68/19/1202766819.db2.gz JCLSUUQSCYFSGK-GOEBONIOSA-N 0 3 371.441 0.903 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[C@H]3CCCO3)n[n-]2)O1 ZINC001130757918 1202780471 /nfs/dbraw/zinc/78/04/71/1202780471.db2.gz LSUOIRPBPVOLQZ-QLFBSQMISA-N 0 3 361.446 0.823 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)CC[C@H]3CCCO3)n2)O1 ZINC001130757918 1202780476 /nfs/dbraw/zinc/78/04/76/1202780476.db2.gz LSUOIRPBPVOLQZ-QLFBSQMISA-N 0 3 361.446 0.823 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C)nn3C)n[n-]2)O1 ZINC001130760080 1202781885 /nfs/dbraw/zinc/78/18/85/1202781885.db2.gz 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Cc1ccc(C#N)c(N2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)N3CCCC3)C2)n1 ZINC001041255245 1217256879 /nfs/dbraw/zinc/25/68/79/1217256879.db2.gz YIROMTVQRBZLHJ-KURKYZTESA-N 0 3 369.469 0.802 20 30 FCEDHN N#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)c3cccc4[nH]cnc43)C[C@@H]21 ZINC001223726255 1225730789 /nfs/dbraw/zinc/73/07/89/1225730789.db2.gz BHLHNADGWSNYLE-CJNGLKHVSA-N 0 3 366.425 0.739 20 30 FCEDHN C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001042680657 1217444414 /nfs/dbraw/zinc/44/44/14/1217444414.db2.gz IFIOROLJYVFVLF-FYQILQCXSA-N 0 3 368.441 0.152 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(c3ccnc(C)n3)C[C@H]2OC)CC1 ZINC001042843625 1217480647 /nfs/dbraw/zinc/48/06/47/1217480647.db2.gz UMVAABPUEHTTJT-IAGOWNOFSA-N 0 3 357.458 0.450 20 30 FCEDHN CO[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001042868467 1217490090 /nfs/dbraw/zinc/49/00/90/1217490090.db2.gz CBSRSIBPVURTJU-HUUCEWRRSA-N 0 3 355.402 0.251 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001043043228 1217567794 /nfs/dbraw/zinc/56/77/94/1217567794.db2.gz FLEGRHYTWSTUDB-PMPSAXMXSA-N 0 3 365.474 0.140 20 30 FCEDHN C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1Nc1cncc(C#N)n1 ZINC001043641619 1217687459 /nfs/dbraw/zinc/68/74/59/1217687459.db2.gz VHGLAVIRAADNNF-FYQILQCXSA-N 0 3 368.441 0.470 20 30 FCEDHN C=CCOCCN1CC[C@@H]2CCN(C(=O)c3cncc(C(N)=O)c3)C[C@@H]21 ZINC001224153606 1225761433 /nfs/dbraw/zinc/76/14/33/1225761433.db2.gz SCPIOHCIDWJIPL-PBHICJAKSA-N 0 3 358.442 0.920 20 30 FCEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001043681144 1217703730 /nfs/dbraw/zinc/70/37/30/1217703730.db2.gz JJCRMQDFJSOVCF-XHSDSOJGSA-N 0 3 367.490 0.387 20 30 FCEDHN CC(C)N1CCC[C@H]1C(=O)N1CCO[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 ZINC001043753699 1217732166 /nfs/dbraw/zinc/73/21/66/1217732166.db2.gz LFZPGBYGWOWOFV-HRCADAONSA-N 0 3 370.457 0.637 20 30 FCEDHN C[C@H]1CCCN1CC(=O)N1CCO[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]21 ZINC001043791453 1217744879 /nfs/dbraw/zinc/74/48/79/1217744879.db2.gz PYKTUKRDARSZEW-BHYGNILZSA-N 0 3 355.442 0.854 20 30 FCEDHN CN(CC(=O)N1CCO[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21)C1CCC1 ZINC001043813573 1217752897 /nfs/dbraw/zinc/75/28/97/1217752897.db2.gz YYQKYTFRPMXLHM-JKSUJKDBSA-N 0 3 356.430 0.249 20 30 FCEDHN CN(C)Cc1cccc(C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]2O)c1 ZINC001043989208 1217787638 /nfs/dbraw/zinc/78/76/38/1217787638.db2.gz OPSDDSMOCHQMOK-MSOLQXFVSA-N 0 3 365.437 0.994 20 30 FCEDHN C=CCCOCC(=O)N1CC[C@H]2CCN(CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001224280721 1225769728 /nfs/dbraw/zinc/76/97/28/1225769728.db2.gz LKYRSAIKONYRFL-CVEARBPZSA-N 0 3 363.458 0.651 20 30 FCEDHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2nc(C)ccc2C#N)C[C@@H]1O ZINC001044703194 1217872242 /nfs/dbraw/zinc/87/22/42/1217872242.db2.gz GOKQECZKXWCQLX-IKGGRYGDSA-N 0 3 357.458 0.802 20 30 FCEDHN CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O ZINC001044778819 1217879715 /nfs/dbraw/zinc/87/97/15/1217879715.db2.gz LWCSPNZSMOWKCH-IKGGRYGDSA-N 0 3 357.458 0.739 20 30 FCEDHN C=CCOCCN1CC[C@@H]2CCN(C(=O)c3cc(C(N)=O)ccn3)C[C@@H]21 ZINC001224343479 1225775065 /nfs/dbraw/zinc/77/50/65/1225775065.db2.gz BJEXQSKCUDOHIO-PBHICJAKSA-N 0 3 358.442 0.920 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)N(C)CC)C1 ZINC001049019993 1218365458 /nfs/dbraw/zinc/36/54/58/1218365458.db2.gz ZVUCODXRPFXJQH-UGUYLWEFSA-N 0 3 367.490 0.338 20 30 FCEDHN CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001225690103 1225819872 /nfs/dbraw/zinc/81/98/72/1225819872.db2.gz GZHMBQUCTNXTGR-HUUCEWRRSA-N 0 3 361.446 0.670 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC[C@H](C)OC ZINC001225817554 1225825580 /nfs/dbraw/zinc/82/55/80/1225825580.db2.gz HQTIESSXGCQFBP-RRFJBIMHSA-N 0 3 368.478 0.830 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1=CCOCC1 ZINC001225817407 1225825612 /nfs/dbraw/zinc/82/56/12/1225825612.db2.gz GLZNBPDYQGLCIL-HUUCEWRRSA-N 0 3 364.446 0.362 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@H](C)C(=O)N(C)C)CC1 ZINC001096605386 1218575500 /nfs/dbraw/zinc/57/55/00/1218575500.db2.gz MOFOOMUDLYAZIF-BGTYHANMSA-N 0 3 360.502 0.530 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@@H](C)c2nncn2C)CC1 ZINC001096608019 1218576077 /nfs/dbraw/zinc/57/60/77/1218576077.db2.gz NFNRLNIZYDFVBC-RANZSIQMSA-N 0 3 370.501 0.943 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2cnn(C)n2)CC1 ZINC001096608386 1218576513 /nfs/dbraw/zinc/57/65/13/1218576513.db2.gz WBTBNQPLYFVAOP-SQNIBIBYSA-N 0 3 356.474 0.382 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC1CCOCC1 ZINC001226188198 1225835513 /nfs/dbraw/zinc/83/55/13/1225835513.db2.gz PREBWEAIYOLOHK-DJIMGWMZSA-N 0 3 365.474 0.337 20 30 FCEDHN Cn1cc(N2CC[C@@H](N[C@@H]3CCCC[C@H]3NC(=O)C#CC3CC3)C2=O)cn1 ZINC001226126816 1225834077 /nfs/dbraw/zinc/83/40/77/1225834077.db2.gz SLYAUGRFYMFQQR-KZNAEPCWSA-N 0 3 369.469 0.956 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001226267880 1225838132 /nfs/dbraw/zinc/83/81/32/1225838132.db2.gz RYPTZIFMHCTQLX-APHBMKBZSA-N 0 3 358.446 0.486 20 30 FCEDHN Cc1ccn(C[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)n1 ZINC001226441263 1225844308 /nfs/dbraw/zinc/84/43/08/1225844308.db2.gz DFPINELYPFYHJD-NUEKZKHPSA-N 0 3 360.462 0.484 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccn(CC(C)C)n1 ZINC001226504794 1225845506 /nfs/dbraw/zinc/84/55/06/1225845506.db2.gz NVYGRVLWAXSPQE-HZPDHXFCSA-N 0 3 359.474 0.919 20 30 FCEDHN CC(C)(C)n1ccc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)n1 ZINC001226553447 1225846368 /nfs/dbraw/zinc/84/63/68/1225846368.db2.gz CLBFHAYIVNYKFC-ZIAGYGMSSA-N 0 3 360.462 0.908 20 30 FCEDHN C=C(C)[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NC)OCC ZINC001226555305 1225846627 /nfs/dbraw/zinc/84/66/27/1225846627.db2.gz ZGKCQKYOEFHEBG-RBSFLKMASA-N 0 3 368.478 0.830 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(CCN2C(=O)CCC2=O)CC1 ZINC001052727104 1218860829 /nfs/dbraw/zinc/86/08/29/1218860829.db2.gz CMFUCWLQSCXMSG-XHSDSOJGSA-N 0 3 363.458 0.697 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2ncncc2C1 ZINC001226714139 1225852532 /nfs/dbraw/zinc/85/25/32/1225852532.db2.gz PHSAATRAZBIODU-BMGDILEWSA-N 0 3 369.469 0.348 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1cnn2ccccc12 ZINC001226844957 1225855737 /nfs/dbraw/zinc/85/57/37/1225855737.db2.gz VWBSOCGVUPGQEZ-IAGOWNOFSA-N 0 3 367.453 0.643 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nn2)CC1 ZINC001055044979 1218981953 /nfs/dbraw/zinc/98/19/53/1218981953.db2.gz XAYBWABFMDOFBV-SQNIBIBYSA-N 0 3 364.453 0.919 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(C#N)n2)CC1 ZINC001055044200 1218982111 /nfs/dbraw/zinc/98/21/11/1218982111.db2.gz HQBBXPXYGFGVGS-IKGGRYGDSA-N 0 3 364.453 0.919 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccn(CC(F)F)n1 ZINC001226957590 1225859519 /nfs/dbraw/zinc/85/95/19/1225859519.db2.gz NRSYGZSYAAVYIG-CHWSQXEVSA-N 0 3 367.400 0.528 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc2nc[nH]c2n1 ZINC001227007390 1225860945 /nfs/dbraw/zinc/86/09/45/1225860945.db2.gz ZIVMFZMSDBTABO-CHWSQXEVSA-N 0 3 354.414 0.338 20 30 FCEDHN C=C(C)CN1CCC2(CCN(Cc3cn(C)c(=O)n(C)c3=O)CC2)C1=O ZINC001277178888 1225862696 /nfs/dbraw/zinc/86/26/96/1225862696.db2.gz QLGRRYDJHUSKOA-UHFFFAOYSA-N 0 3 360.458 0.475 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1cn2ccccc2n1 ZINC001227092897 1225863638 /nfs/dbraw/zinc/86/36/38/1225863638.db2.gz WMIHDXVBDAEQBG-IAGOWNOFSA-N 0 3 367.453 0.643 20 30 FCEDHN C=CCCC(=O)NC1CCN(CCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001055594505 1219093770 /nfs/dbraw/zinc/09/37/70/1219093770.db2.gz KBMYFEMINBFOFX-NVXWUHKLSA-N 0 3 366.506 0.369 20 30 FCEDHN CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804061844 1219116120 /nfs/dbraw/zinc/11/61/20/1219116120.db2.gz WWJRCEGXYSODNV-DLBZAZTESA-N 0 3 356.426 0.496 20 30 FCEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@@H]2n2ccnn2)cn1 ZINC001070080778 1219150375 /nfs/dbraw/zinc/15/03/75/1219150375.db2.gz YLFLVUMYBAXDNX-OLMNPRSZSA-N 0 3 366.425 0.346 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COc2ccccc2C1 ZINC001227373758 1225871822 /nfs/dbraw/zinc/87/18/22/1225871822.db2.gz ZKCVWEUVIABPPC-GVDBMIGSSA-N 0 3 370.453 0.894 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)CN2CCCCCC2=O)[C@@H](n2ccnn2)C1 ZINC001070092615 1219161349 /nfs/dbraw/zinc/16/13/49/1219161349.db2.gz IVVZYHZTTAEFAO-CVEARBPZSA-N 0 3 360.462 0.598 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc2n[nH]cc2c1 ZINC001227451075 1225875260 /nfs/dbraw/zinc/87/52/60/1225875260.db2.gz SRLFNBYQWVYKID-IAGOWNOFSA-N 0 3 368.441 0.762 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)CN(C)C(C)C)CCOCC1 ZINC001070144204 1219223799 /nfs/dbraw/zinc/22/37/99/1219223799.db2.gz ZYQJFHKTWSSXHJ-CVEARBPZSA-N 0 3 367.490 0.699 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc(-n3cncn3)cc2)C[C@@H]1n1ccnn1 ZINC001070212893 1219296263 /nfs/dbraw/zinc/29/62/63/1219296263.db2.gz WIZAFHMRRQUFAP-SJORKVTESA-N 0 3 364.413 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C=CCN[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)cn2)C[C@@H]1n1ccnn1 ZINC001070309880 1219367275 /nfs/dbraw/zinc/36/72/75/1219367275.db2.gz ICUXAAVNQGWFJU-SJORKVTESA-N 0 3 364.413 0.700 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@](C)(c2ccccc2)N(C)C)C[C@@H]1n1ccnn1 ZINC001070310963 1219368109 /nfs/dbraw/zinc/36/81/09/1219368109.db2.gz GINYMFBJZZHVOI-WSTZPKSXSA-N 0 3 366.469 0.730 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cc2ccc3c[nH]nc3c2)C[C@@H]1n1ccnn1 ZINC001070320090 1219373262 /nfs/dbraw/zinc/37/32/62/1219373262.db2.gz WWEVHTAFYDBKSL-SJORKVTESA-N 0 3 351.414 0.925 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc(=O)n(CCC)n2)C[C@@H]1n1ccnn1 ZINC001070324609 1219375864 /nfs/dbraw/zinc/37/58/64/1219375864.db2.gz VQKNYYOBEXJNBR-CABCVRRESA-N 0 3 357.418 0.086 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C[C@@H]2C(=O)Nc3ccccc32)C[C@@H]1n1ccnn1 ZINC001070337131 1219385261 /nfs/dbraw/zinc/38/52/61/1219385261.db2.gz OCAXRIYPXPJILX-UAGQMJEPSA-N 0 3 366.425 0.932 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cc[n+]([O-])cc2)CC1 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C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CN(C(=O)CC(=O)NCC)C[C@H]1C ZINC001214483901 1223913995 /nfs/dbraw/zinc/91/39/95/1223913995.db2.gz QBUSZKYAOITTNU-OWCLPIDISA-N 0 3 366.506 0.762 20 30 FCEDHN C#CCOCCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NCc2ccco2)C1 ZINC001214595042 1223924345 /nfs/dbraw/zinc/92/43/45/1223924345.db2.gz BYLLRSRLSMBGKO-HLLBOEOZSA-N 0 3 361.442 0.761 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2c[nH]cc2-c2cnn(C)c2)C[C@H]1C ZINC001214617277 1223926470 /nfs/dbraw/zinc/92/64/70/1223926470.db2.gz MANQZDUQGFLTGM-CXAGYDPISA-N 0 3 368.441 0.215 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cn2cccc(C)c2=O)C[C@H]1C ZINC001214621689 1223926475 /nfs/dbraw/zinc/92/64/75/1223926475.db2.gz FUIWMUQAVMPJSZ-BZUAXINKSA-N 0 3 360.458 0.284 20 30 FCEDHN CC(=O)Nc1cc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)ccc1C ZINC001214686169 1223931936 /nfs/dbraw/zinc/93/19/36/1223931936.db2.gz LBGGUNRMHRNTPV-CXAGYDPISA-N 0 3 371.441 0.643 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CNC(=O)c2ccoc2)C[C@H]1C ZINC001214683555 1223931970 /nfs/dbraw/zinc/93/19/70/1223931970.db2.gz BXFCSYPPKWUSTC-VNHYZAJKSA-N 0 3 362.430 0.137 20 30 FCEDHN C[C@H](Oc1ccccc1F)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1 ZINC001214683971 1223932055 /nfs/dbraw/zinc/93/20/55/1223932055.db2.gz UWKHGKZPKXRTOT-VNHYZAJKSA-N 0 3 362.405 0.669 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)C3)C[C@H]1C ZINC001214701662 1223934896 /nfs/dbraw/zinc/93/48/96/1223934896.db2.gz DDDMVSQTBUUFOV-IIYDPXPESA-N 0 3 368.437 0.369 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(C(F)(F)F)nn2C)C[C@H]1C ZINC001214710722 1223935421 /nfs/dbraw/zinc/93/54/21/1223935421.db2.gz LZQFNACGUXZNLJ-GHMZBOCLSA-N 0 3 371.363 0.238 20 30 FCEDHN C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H](NCC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC001214732550 1223936964 /nfs/dbraw/zinc/93/69/64/1223936964.db2.gz YEBFBAWXDFOWPZ-QLFBSQMISA-N 0 3 366.506 0.618 20 30 FCEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCN(C(C)=O)CC2)C1 ZINC001214743653 1223938056 /nfs/dbraw/zinc/93/80/56/1223938056.db2.gz IJGWMUBVGNCHJJ-NVXWUHKLSA-N 0 3 364.490 0.470 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cn(C(C)(C)C)nn2)C[C@H]1C ZINC001214809410 1223944210 /nfs/dbraw/zinc/94/42/10/1223944210.db2.gz GOGJOHGJFBIBRZ-HZSPNIEDSA-N 0 3 362.478 0.774 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cn(C(C)(C)C)nn2)C[C@H]1C ZINC001214809412 1223944416 /nfs/dbraw/zinc/94/44/16/1223944416.db2.gz GOGJOHGJFBIBRZ-MGPQQGTHSA-N 0 3 362.478 0.774 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ncnc3ccsc32)C[C@H]1C ZINC001214809831 1223944428 /nfs/dbraw/zinc/94/44/28/1223944428.db2.gz RFYLCPODZFHMSQ-MBNYWOFBSA-N 0 3 371.466 0.879 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cc(C3CC3)n(CC)n2)C[C@H]1C ZINC001214816249 1223944879 /nfs/dbraw/zinc/94/48/79/1223944879.db2.gz HMONZOMHTOGMPY-JKIFEVAISA-N 0 3 371.485 0.968 20 30 FCEDHN C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)CCCn3ccnn3)C[C@H]2C)C1=O ZINC001214836073 1223946529 /nfs/dbraw/zinc/94/65/29/1223946529.db2.gz UJFPFYKBASKHRT-BZUAXINKSA-N 0 3 360.462 0.282 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ccnc3ccnn32)C[C@H]1C ZINC001214841058 1223947102 /nfs/dbraw/zinc/94/71/02/1223947102.db2.gz QPGZTNWXSHCPTB-MGPQQGTHSA-N 0 3 356.430 0.470 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cnn(CC(F)(F)F)c2)C[C@H]1C ZINC001214863391 1223949003 /nfs/dbraw/zinc/94/90/03/1223949003.db2.gz KZLKSNSDTPJCQV-DGCLKSJQSA-N 0 3 371.363 0.245 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnn3ncccc23)C[C@H]1C ZINC001214867285 1223949804 /nfs/dbraw/zinc/94/98/04/1223949804.db2.gz KXWATQFVETUSSY-UMVBOHGHSA-N 0 3 356.430 0.470 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCN(C)c3ccccc32)C[C@H]1C ZINC001214882133 1223951717 /nfs/dbraw/zinc/95/17/17/1223951717.db2.gz CMHUJGJMTBALGP-BPQIPLTHSA-N 0 3 368.481 0.796 20 30 FCEDHN Cc1ccc2c(C(=O)N3C[C@@H](C)[C@H](NCC(=O)NCC#N)C3)cnn2c1C ZINC001214886959 1223952406 /nfs/dbraw/zinc/95/24/06/1223952406.db2.gz MAKVVSPGWBIEME-CZUORRHYSA-N 0 3 368.441 0.641 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc3oc(=O)[nH]c3c2)C[C@H]1C ZINC001214905070 1223954189 /nfs/dbraw/zinc/95/41/89/1223954189.db2.gz XBSUCTXEWFZVLB-BXUZGUMPSA-N 0 3 356.382 0.333 20 30 FCEDHN C[C@@H]1CN(C(=O)c2ccnc(-n3cccc3)c2)C[C@H]1NCC(=O)NCC#N ZINC001214908892 1223954290 /nfs/dbraw/zinc/95/42/90/1223954290.db2.gz FCMKDHIFNVONII-GDBMZVCRSA-N 0 3 366.425 0.562 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)C[C@H](C)c2c(C)n[nH]c2C)C[C@H]1C ZINC001215004203 1223962753 /nfs/dbraw/zinc/96/27/53/1223962753.db2.gz UTFBSIZOZNYEMO-WOSRLPQWSA-N 0 3 359.474 0.706 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc3c(cc[nH]c3=O)n2)C[C@H]1C ZINC001215008722 1223963262 /nfs/dbraw/zinc/96/32/62/1223963262.db2.gz YKKOZRRHZJWSTH-MLGOLLRUSA-N 0 3 367.409 0.135 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cn2cc(C3CC3)cn2)C[C@H]1C ZINC001215010132 1223964114 /nfs/dbraw/zinc/96/41/14/1223964114.db2.gz MEAHRPUGFKPLHP-CKEIUWERSA-N 0 3 357.458 0.335 20 30 FCEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1C ZINC001215036148 1223965783 /nfs/dbraw/zinc/96/57/83/1223965783.db2.gz PFKGZMKNBFRDOV-BZUAXINKSA-N 0 3 362.474 0.150 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)Cc2ccc(NC(C)=O)cc2)C[C@H]1C ZINC001215080620 1223971347 /nfs/dbraw/zinc/97/13/47/1223971347.db2.gz SBSWMHPERFLUOM-RDTXWAMCSA-N 0 3 370.453 0.373 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)C2([C@@H]3CCCCO3)CCC2)C[C@H]1C ZINC001215128470 1223976236 /nfs/dbraw/zinc/97/62/36/1223976236.db2.gz MJESBCPNYNZKOI-ZACQAIPSSA-N 0 3 361.486 0.912 20 30 FCEDHN COc1cccc(CCC(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)c1 ZINC001215128600 1223976359 /nfs/dbraw/zinc/97/63/59/1223976359.db2.gz OSPMDOSRHOZYDY-RHSMWYFYSA-N 0 3 358.442 0.704 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2nnc3ccccc3n2)C[C@H]1C ZINC001215155982 1223978979 /nfs/dbraw/zinc/97/89/79/1223978979.db2.gz SJXMIXAXDMWTGP-IUODEOHRSA-N 0 3 354.414 0.377 20 30 FCEDHN C[C@@H]1CN(C(=O)[C@H]2CCc3cc(F)ccc32)C[C@H]1NCC(=O)NCC#N ZINC001215158091 1223979094 /nfs/dbraw/zinc/97/90/94/1223979094.db2.gz QWUPMWYVIKGRKL-OAUYIBNBSA-N 0 3 358.417 0.932 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2CC)C[C@H]1C ZINC001215191796 1223980715 /nfs/dbraw/zinc/98/07/15/1223980715.db2.gz GIUHJWNJGGHPFF-TUVASFSCSA-N 0 3 366.462 0.250 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)C2(CCF)CC2)C[C@H]1C ZINC001215213640 1223982790 /nfs/dbraw/zinc/98/27/90/1223982790.db2.gz FWZONQLMMVAKJP-HZSPNIEDSA-N 0 3 368.453 0.963 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2COCCN2CCCC)C[C@H]1C ZINC001215226839 1223984021 /nfs/dbraw/zinc/98/40/21/1223984021.db2.gz UKKKULSRFVACMU-BRWVUGGUSA-N 0 3 366.506 0.226 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ccnc3ccncc32)C[C@H]1C ZINC001215230813 1223984239 /nfs/dbraw/zinc/98/42/39/1223984239.db2.gz XNBJXRYWKYBNFE-CXAGYDPISA-N 0 3 353.426 0.982 20 30 FCEDHN C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NCC)C1 ZINC001215240392 1223985379 /nfs/dbraw/zinc/98/53/79/1223985379.db2.gz WWLFVXFUEOFICA-LBTNJELSSA-N 0 3 368.478 0.497 20 30 FCEDHN C[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)cc2)C[C@H]1NCC(=O)NCC#N ZINC001215251113 1223985913 /nfs/dbraw/zinc/98/59/13/1223985913.db2.gz OAJUVVHCVMRJPN-RHSMWYFYSA-N 0 3 366.425 0.562 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](OCC)C2CCOCC2)C[C@H]1C ZINC001215244904 1223985961 /nfs/dbraw/zinc/98/59/61/1223985961.db2.gz NSSLSXNIJQYQLW-QGPMSJSTSA-N 0 3 367.490 0.557 20 30 FCEDHN Cc1cc2ncc(C(=O)N3C[C@@H](C)[C@H](NCC(=O)NCC#N)C3)c(C)n2n1 ZINC001215271527 1223987181 /nfs/dbraw/zinc/98/71/81/1223987181.db2.gz SMHFIMVMIQBDFB-IAQYHMDHSA-N 0 3 369.429 0.036 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(-n3cncn3)nc2)C[C@H]1C ZINC001215273281 1223987633 /nfs/dbraw/zinc/98/76/33/1223987633.db2.gz WMBPFGHMRXYLKS-UKRRQHHQSA-N 0 3 369.429 0.015 20 30 FCEDHN CC#CCCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC001215357345 1223993800 /nfs/dbraw/zinc/99/38/00/1223993800.db2.gz ATPQPISVMCQIDE-OWCLPIDISA-N 0 3 364.490 0.209 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)C(C)(C)c2c(C)noc2C)C[C@H]1C ZINC001215371924 1223994770 /nfs/dbraw/zinc/99/47/70/1223994770.db2.gz XCMUKNBIRMQBHG-IUODEOHRSA-N 0 3 360.458 0.755 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cc2ncccc2OC)C[C@H]1C ZINC001215400815 1223996783 /nfs/dbraw/zinc/99/67/83/1223996783.db2.gz CYLIULGLADAZAL-IJEWVQPXSA-N 0 3 358.442 0.207 20 30 FCEDHN C[C@@H]1CN(C(=O)c2cc3ccccc3n2C)C[C@H]1NCC(=O)NCC#N ZINC001215412713 1223997819 /nfs/dbraw/zinc/99/78/19/1223997819.db2.gz VMYICDFCDKUHSF-UKRRQHHQSA-N 0 3 353.426 0.868 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc32)C[C@H]1C ZINC001215423907 1223999003 /nfs/dbraw/zinc/99/90/03/1223999003.db2.gz WMQOZAQAYSCZNJ-KBRIMQKVSA-N 0 3 370.453 0.775 20 30 FCEDHN C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC(F)(F)F)C2)c1 ZINC001215502128 1224002350 /nfs/dbraw/zinc/00/23/50/1224002350.db2.gz WUNMKWYQDIHWPX-BXUZGUMPSA-N 0 3 368.359 0.792 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@H](C)c2ccco2)C[C@H]1C ZINC001215521282 1224004229 /nfs/dbraw/zinc/00/42/29/1224004229.db2.gz RYYZJMMLUOCPSY-MGPQQGTHSA-N 0 3 362.430 0.831 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(-c3cccs3)n[nH]2)C[C@H]1C ZINC001215608941 1224009480 /nfs/dbraw/zinc/00/94/80/1224009480.db2.gz MVMQHURUQCVSFZ-IUODEOHRSA-N 0 3 371.466 0.938 20 30 FCEDHN C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C(C)C)C1 ZINC001215802555 1224018616 /nfs/dbraw/zinc/01/86/16/1224018616.db2.gz HEIYFEVMMBWJHJ-DJIMGWMZSA-N 0 3 366.506 0.761 20 30 FCEDHN C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N[C@H](C)CCC)C2)nn1 ZINC001215833041 1224020179 /nfs/dbraw/zinc/02/01/79/1224020179.db2.gz VLZHFGLWCCZVEG-RBSFLKMASA-N 0 3 362.478 0.819 20 30 FCEDHN C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(C)(C)C)C2)nn1 ZINC001215832740 1224020206 /nfs/dbraw/zinc/02/02/06/1224020206.db2.gz ONYHEYCKBZUIFF-HZSPNIEDSA-N 0 3 362.478 0.817 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2nc(C)c[nH]2)C[C@H]1C ZINC001215858645 1224021105 /nfs/dbraw/zinc/02/11/05/1224021105.db2.gz SVKPZGGFQASDQE-KGYLQXTDSA-N 0 3 362.434 0.169 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NCC)C1 ZINC001215868968 1224021983 /nfs/dbraw/zinc/02/19/83/1224021983.db2.gz TUQBNWNVLANJRQ-CTASWTNQSA-N 0 3 366.462 0.250 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(C)nc3n[nH]c(C)c32)C[C@H]1C ZINC001215915559 1224024320 /nfs/dbraw/zinc/02/43/20/1224024320.db2.gz HBVDULPEGNBATK-IAQYHMDHSA-N 0 3 368.441 0.374 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cccc3nc[nH]c32)C[C@H]1C ZINC001216030072 1224030922 /nfs/dbraw/zinc/03/09/22/1224030922.db2.gz AAWWLYSRZOFSDJ-XJKCOSOUSA-N 0 3 353.426 0.751 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cn(CC3CC3)nn2)C[C@H]1C ZINC001216119083 1224035154 /nfs/dbraw/zinc/03/51/54/1224035154.db2.gz ZRCYPYGCYCTRRS-VNHYZAJKSA-N 0 3 360.462 0.429 20 30 FCEDHN C[C@@H]1CN(C(=O)c2cccc3ccncc32)C[C@H]1NCC(=O)NCC#N ZINC001216169560 1224037803 /nfs/dbraw/zinc/03/78/03/1224037803.db2.gz DYLNTYRTRMWSKT-CXAGYDPISA-N 0 3 351.410 0.925 20 30 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FCEDHN C=CCCN1C[C@@H](NC(=O)CCc2ccnc(C)n2)[C@@H](n2ccnn2)C1 ZINC001129133911 1259325386 /nfs/dbraw/zinc/32/53/86/1259325386.db2.gz RPPVZGSYZWBPMM-SJORKVTESA-N 0 3 355.446 0.927 20 30 FCEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](n2ccnn2)C1 ZINC001129199580 1259343181 /nfs/dbraw/zinc/34/31/81/1259343181.db2.gz KBJMBKKOARCJAM-CFVMTHIKSA-N 0 3 357.418 0.371 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)[C@@H](n2ccnn2)C1 ZINC001129262139 1259357481 /nfs/dbraw/zinc/35/74/81/1259357481.db2.gz NLKLTTJVBRWKKI-QXSJWSMHSA-N 0 3 360.462 0.487 20 30 FCEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](n2ccnn2)C1 ZINC001129279765 1259364181 /nfs/dbraw/zinc/36/41/81/1259364181.db2.gz KFCXYIOLZVPJPJ-WQVCFCJDSA-N 0 3 371.445 0.715 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)COC[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001129293887 1259368448 /nfs/dbraw/zinc/36/84/48/1259368448.db2.gz MLDCMHIRJLNSFD-ZACQAIPSSA-N 0 3 363.462 0.639 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)CCNC(=O)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129317885 1259374140 /nfs/dbraw/zinc/37/41/40/1259374140.db2.gz XQULGUZSHXYPCK-CVEARBPZSA-N 0 3 360.462 0.502 20 30 FCEDHN C=CCN(CC=C)C(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)[C@@H]2C1 ZINC001187304706 1259400517 /nfs/dbraw/zinc/40/05/17/1259400517.db2.gz MADRHCALVAHEHE-RCCFBDPRSA-N 0 3 360.502 0.814 20 30 FCEDHN CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCCO[C@@H](CNCC(=O)NCC#N)C1 ZINC001200548835 1259416934 /nfs/dbraw/zinc/41/69/34/1259416934.db2.gz WSMYKQRGNBSBFX-HRCADAONSA-N 0 3 364.490 0.906 20 30 FCEDHN C=CCNC(=O)CN1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)[C@H](OC)C1 ZINC001212284496 1259453624 /nfs/dbraw/zinc/45/36/24/1259453624.db2.gz BOAFTOKHDIMDPJ-HZPDHXFCSA-N 0 3 366.506 0.369 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ccn3cc(C)nc3c2)C[C@H]1C ZINC001215536108 1259534899 /nfs/dbraw/zinc/53/48/99/1259534899.db2.gz INMQEIRAUZRHSK-FRFSOERESA-N 0 3 367.453 0.831 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2nc3nccc(C)n3n2)C[C@H]1C ZINC001216671737 1259537974 /nfs/dbraw/zinc/53/79/74/1259537974.db2.gz TVQGEAVXNMWQTQ-KWCYVHTRSA-N 0 3 371.445 0.174 20 30 FCEDHN C#CCOC[C@H](O)CN1CCc2cc(C(=O)OC)c(N(C)C)nc2CC1 ZINC001251839110 1259762495 /nfs/dbraw/zinc/76/24/95/1259762495.db2.gz CYCLZNYCEZTPIS-OAHLLOKOSA-N 0 3 361.442 0.346 20 30 FCEDHN C#CCOC[C@@H](O)CN1CCc2nnc(COc3ccccn3)n2CC1 ZINC001251839001 1259762776 /nfs/dbraw/zinc/76/27/76/1259762776.db2.gz BGTSCUCFVXZUNU-HNNXBMFYSA-N 0 3 357.414 0.121 20 30 FCEDHN C#CCOC[C@@H](O)CN1C[C@@H]2CN(C(=O)c3ccccc3)CCO[C@@H]2C1 ZINC001251842773 1259765907 /nfs/dbraw/zinc/76/59/07/1259765907.db2.gz DWTDZPJOXRWJMZ-CEXWTWQISA-N 0 3 358.438 0.470 20 30 FCEDHN C#CCOC[C@@H](O)CNC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001251903092 1259771031 /nfs/dbraw/zinc/77/10/31/1259771031.db2.gz FCUUTBSJJLOXLP-KBPBESRZSA-N 0 3 372.462 0.822 20 30 FCEDHN C=CCOC[C@H](O)CN1Cc2nccn2C[C@H](CN2CCN(C)CC2)C1 ZINC001252463412 1259790620 /nfs/dbraw/zinc/79/06/20/1259790620.db2.gz OELPEIYJOAGROY-QZTJIDSGSA-N 0 3 363.506 0.126 20 30 FCEDHN CCCCCCCCCC[C@@H](O)CNCC(=O)NCC(=O)NCC(N)=O ZINC001252989063 1259817118 /nfs/dbraw/zinc/81/71/18/1259817118.db2.gz MNHJXHYVGPRPIX-OAHLLOKOSA-N 0 3 372.510 0.185 20 30 FCEDHN C#CCCN1CCC[C@@H](NC[C@@H](O)COc2ccc(CCO)cc2)C1=O ZINC001253167945 1259825834 /nfs/dbraw/zinc/82/58/34/1259825834.db2.gz WFBWWZHFBARSCF-IEBWSBKVSA-N 0 3 360.454 0.565 20 30 FCEDHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001336172150 1260023589 /nfs/dbraw/zinc/02/35/89/1260023589.db2.gz WDZSDQQSXBSRRJ-WBVHZDCISA-N 0 3 361.490 0.422 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC(NC(=O)C3CC3)CC2)CC1 ZINC001258210456 1260039373 /nfs/dbraw/zinc/03/93/73/1260039373.db2.gz CJOAWCYLUPFRTF-UHFFFAOYSA-N 0 3 362.474 0.270 20 30 FCEDHN C#CCOCCNC(=O)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC001260262870 1260061831 /nfs/dbraw/zinc/06/18/31/1260061831.db2.gz DBJBNBCSFGDXEQ-UHFFFAOYSA-N 0 3 372.469 0.313 20 30 FCEDHN C[C@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)C1=CCN(C)CC1 ZINC001261182325 1260092828 /nfs/dbraw/zinc/09/28/28/1260092828.db2.gz NYDDLFHCBTZTRN-LBPRGKRZSA-N 0 3 373.461 0.021 20 30 FCEDHN N#CC1(C(=O)N2C[C@H]3C[C@@H](C2)N(CCN2CCOCC2)C3)CCOCC1 ZINC001279246643 1260810756 /nfs/dbraw/zinc/81/07/56/1260810756.db2.gz MRJLSSCXZWMGMT-IRXDYDNUSA-N 0 3 362.474 0.172 20 30 FCEDHN N#CC1(C(=O)N2CCO[C@H]3CN(C[C@@H]4CCCOC4)C[C@@H]32)CCOCC1 ZINC001279617472 1260900640 /nfs/dbraw/zinc/90/06/40/1260900640.db2.gz AYPCUJVDNUZVHF-ULQDDVLXSA-N 0 3 363.458 0.645 20 30 FCEDHN CC(=O)NCCN1CCC[C@@]2(CCN(C(=O)C3(C#N)CCOCC3)C2)C1 ZINC001280174032 1261020550 /nfs/dbraw/zinc/02/05/50/1261020550.db2.gz YYOZCIXWBRZFOU-GOSISDBHSA-N 0 3 362.474 0.757 20 30 FCEDHN COc1ncc(NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1C#N ZINC001311197607 1263250909 /nfs/dbraw/zinc/25/09/09/1263250909.db2.gz RACIGXLPWHRVEE-HNNXBMFYSA-N 0 3 372.429 0.732 20 30 FCEDHN CCN1CCN(C[C@H](C)Cn2c(C)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001313951203 1263324407 /nfs/dbraw/zinc/32/44/07/1263324407.db2.gz RINOCEHTONACLA-DOTOQJQBSA-N 0 3 361.494 0.589 20 30 FCEDHN CCN1CCN(C[C@H](C)Cn2c(C)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001313951205 1263325805 /nfs/dbraw/zinc/32/58/05/1263325805.db2.gz RINOCEHTONACLA-RDJZCZTQSA-N 0 3 361.494 0.589 20 30 FCEDHN CN(C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1ccn(CCC#N)n1 ZINC001319196361 1263662280 /nfs/dbraw/zinc/66/22/80/1263662280.db2.gz RFHNFBFJXUFGDK-UHFFFAOYSA-N 0 3 369.429 0.721 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NCC(=O)N2CCc3ccccc32)CC1 ZINC001322246602 1264173306 /nfs/dbraw/zinc/17/33/06/1264173306.db2.gz ADLQPDMRBMGLNJ-UHFFFAOYSA-N 0 3 370.453 0.459 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCOC[C@@H]2c2noc(C)n2)CC1 ZINC001322542142 1264215097 /nfs/dbraw/zinc/21/50/97/1264215097.db2.gz BUXHMZPABSANCK-CQSZACIVSA-N 0 3 363.418 0.045 20 30 FCEDHN C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1)N(C)C ZINC001510005018 1264476676 /nfs/dbraw/zinc/47/66/76/1264476676.db2.gz WXRCUFJQJICOJK-GUYCJALGSA-N 0 3 363.441 0.906 20 30 FCEDHN C#CCOc1ccccc1CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC001323751656 1264503258 /nfs/dbraw/zinc/50/32/58/1264503258.db2.gz LMLZRMNJRXLJCE-IAGOWNOFSA-N 0 3 371.437 0.294 20 30 FCEDHN Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@H](N4CC[C@H](O)C4)C3)CC2)o1 ZINC001325270544 1264830332 /nfs/dbraw/zinc/83/03/32/1264830332.db2.gz JHQOHDGALYVRRJ-HOTGVXAUSA-N 0 3 373.457 0.739 20 30 FCEDHN C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001580405848 1278239411 /nfs/dbraw/zinc/23/94/11/1278239411.db2.gz LHZCZQKOHXGLDI-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN CN(C)CCN(C)C(=O)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC001327468973 1265332838 /nfs/dbraw/zinc/33/28/38/1265332838.db2.gz OSMSURPMQUJYEQ-UHFFFAOYSA-N 0 3 373.457 0.779 20 30 FCEDHN Cc1cc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)ncc1C#N ZINC001327619071 1265375115 /nfs/dbraw/zinc/37/51/15/1265375115.db2.gz KLBBVPOVXFZWBS-ZDUSSCGKSA-N 0 3 358.446 0.200 20 30 FCEDHN CS(=O)(=O)[C@@H]1CN(C(=O)[C@@H](N)CCCCC#N)C[C@H]1C(F)(F)F ZINC001333525201 1266623309 /nfs/dbraw/zinc/62/33/09/1266623309.db2.gz WFFBFRSGQZIPTH-OUAUKWLOSA-N 0 3 355.382 0.832 20 30 FCEDHN C=C(C)Cn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1C1(O)CC1 ZINC001524144261 1266688470 /nfs/dbraw/zinc/68/84/70/1266688470.db2.gz UILFTMXXRYYQNM-HNNXBMFYSA-N 0 3 374.489 0.578 20 30 FCEDHN CCN(CC)CC(=O)N1CCN(C(=O)NCC2(C#N)CCOCC2)CC1 ZINC001528070399 1266941970 /nfs/dbraw/zinc/94/19/70/1266941970.db2.gz HGLNOXKLAWKANL-UHFFFAOYSA-N 0 3 365.478 0.502 20 30 FCEDHN C=CCn1c([C@@H](O)COC)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001339146246 1268175607 /nfs/dbraw/zinc/17/56/07/1268175607.db2.gz SFZNVYRAPVXEGB-ZBFHGGJFSA-N 0 3 365.478 0.833 20 30 FCEDHN C=CCn1c([C@H]2CCC(=O)NC2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001339743975 1268316749 /nfs/dbraw/zinc/31/67/49/1268316749.db2.gz KSSYYHXJBIMVFJ-HNNXBMFYSA-N 0 3 374.489 0.759 20 30 FCEDHN C=CCn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1C1(O)CC1 ZINC001340342422 1268516362 /nfs/dbraw/zinc/51/63/62/1268516362.db2.gz OIDBMPRKMQCSPR-AWEZNQCLSA-N 0 3 360.462 0.188 20 30 FCEDHN C=CCn1c(N2CCN(C3CCOCC3)CC2)nnc1[C@@]1(O)CCOC1 ZINC001340624369 1268607797 /nfs/dbraw/zinc/60/77/97/1268607797.db2.gz PWDIVLZFYYRMQG-GOSISDBHSA-N 0 3 363.462 0.373 20 30 FCEDHN C#CCNCC(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 ZINC001341645254 1269127849 /nfs/dbraw/zinc/12/78/49/1269127849.db2.gz LGJDQPNWEZLAFF-UHFFFAOYSA-N 0 3 358.442 0.186 20 30 FCEDHN C=CCn1c(C2CCN(CCO)CC2)nnc1N(C)CCC(=O)NC ZINC001342220806 1269402023 /nfs/dbraw/zinc/40/20/23/1269402023.db2.gz OAVGRNKYCNSOEO-UHFFFAOYSA-N 0 3 350.467 0.208 20 30 FCEDHN C=C(C)Cn1c(C2CCN(CCO)CC2)nnc1N1CCO[C@@H](C#N)C1 ZINC001342227725 1269404253 /nfs/dbraw/zinc/40/42/53/1269404253.db2.gz WKGALCFYTTXVMS-INIZCTEOSA-N 0 3 360.462 0.755 20 30 FCEDHN N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001343473183 1269918528 /nfs/dbraw/zinc/91/85/28/1269918528.db2.gz LNRCLNWCPMIFGF-QYZOEREBSA-N 0 3 354.454 0.803 20 30 FCEDHN CN(CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1O)CC(C)(C)C ZINC001573034315 1270549041 /nfs/dbraw/zinc/54/90/41/1270549041.db2.gz ZLBYASONTCZAJF-CABCVRRESA-N 0 3 361.446 0.166 20 30 FCEDHN C#CCCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H]2[C@@H](N)CS(=O)(=O)[C@H]2C1 ZINC001574569716 1271369591 /nfs/dbraw/zinc/36/95/91/1271369591.db2.gz OUULBINABLCKHM-IPYPFGDCSA-N 0 3 374.470 0.247 20 30 FCEDHN C=C(C)Cn1c(C2CCC2)nnc1N1C[C@@H]2[C@H](N)CS(=O)(=O)[C@@H]2C1 ZINC001574845484 1271593161 /nfs/dbraw/zinc/59/31/61/1271593161.db2.gz YQEGZTFPEFJOAO-MGPQQGTHSA-N 0 3 351.476 0.682 20 30 FCEDHN C#CCN(C(=O)c1cc(C(N)=O)c[nH]1)C1CCN(CCc2cn[nH]n2)CC1 ZINC001574927885 1271679566 /nfs/dbraw/zinc/67/95/66/1271679566.db2.gz CCZQPEMENWBURC-UHFFFAOYSA-N 0 3 369.429 0.014 20 30 FCEDHN C=C(Cl)CNCCN(CCO)C(=O)C1CCN(Cc2cn[nH]n2)CC1 ZINC001575060270 1271704307 /nfs/dbraw/zinc/70/43/07/1271704307.db2.gz WPYFDRIXOVFLLK-UHFFFAOYSA-N 0 3 370.885 0.180 20 30 FCEDHN C=C[C@](C)(CCOC)C(=O)N1CCCO[C@H](CNCc2c[nH]nn2)C1 ZINC001575072617 1271707732 /nfs/dbraw/zinc/70/77/32/1271707732.db2.gz KQOGWZSIGFTCEL-NVXWUHKLSA-N 0 3 351.451 0.741 20 30 FCEDHN C=CCNC(=O)CN(C)C[C@H](C)NC(=O)c1ccc(-c2cn[nH]n2)cc1 ZINC001575103533 1271719292 /nfs/dbraw/zinc/71/92/92/1271719292.db2.gz FRNBPXTXZFOASK-ZDUSSCGKSA-N 0 3 356.430 0.824 20 30 FCEDHN CC#CCNC[C@H]1CN(C(=O)c2cncc(-c3c[nH]nn3)c2)CCCO1 ZINC001575123253 1271735110 /nfs/dbraw/zinc/73/51/10/1271735110.db2.gz QGRPAHADCUPZEO-INIZCTEOSA-N 0 3 354.414 0.711 20 30 FCEDHN CC(C)(C)OC(=O)NC1CCN(CC(=O)N[C@@H]2CNC[C@H]2C#N)CC1 ZINC001575215942 1271794477 /nfs/dbraw/zinc/79/44/77/1271794477.db2.gz MRWHVKHNGVNENF-TZMCWYRMSA-N 0 3 351.451 0.203 20 30 FCEDHN COCC#CCN1C[C@@H]2CN(C(=O)c3cncc(-c4c[nH]nn4)c3)C[C@@H]2C1 ZINC001576953516 1273973820 /nfs/dbraw/zinc/97/38/20/1273973820.db2.gz OQSHHRBCUREAIA-CALCHBBNSA-N 0 3 366.425 0.520 20 30 FCEDHN COCC#CCN1CCC(N(Cc2c[nH]nn2)C(=O)c2cn(C)cn2)CC1 ZINC001576953825 1273974519 /nfs/dbraw/zinc/97/45/19/1273974519.db2.gz RKQNLSIJBKSQHJ-UHFFFAOYSA-N 0 3 371.445 0.295 20 30 FCEDHN COc1ccc(C#N)cc1CNCCN(C)C(=O)[C@@H](C)OCc1cn[nH]n1 ZINC001577058214 1274123626 /nfs/dbraw/zinc/12/36/26/1274123626.db2.gz UEFJQXCRTPBLJU-CYBMUJFWSA-N 0 3 372.429 0.838 20 30 FCEDHN CN(C)S(=O)(=O)C[C@H](NC(=O)[C@@H](N)CCCCC#N)C(F)(F)F ZINC001578420717 1275790156 /nfs/dbraw/zinc/79/01/56/1275790156.db2.gz UBCFKJCTIIBVAF-UWVGGRQHSA-N 0 3 358.386 0.336 20 30 FCEDHN COCC#CC[NH2+]C[C@](C)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001579617736 1277662851 /nfs/dbraw/zinc/66/28/51/1277662851.db2.gz GEYRPCKIFVCWGB-KRWDZBQOSA-N 0 3 357.418 0.333 20 30 FCEDHN COCC#CC[NH2+]C[C@](C)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001579617736 1277662859 /nfs/dbraw/zinc/66/28/59/1277662859.db2.gz GEYRPCKIFVCWGB-KRWDZBQOSA-N 0 3 357.418 0.333 20 30 FCEDHN COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)C#N)cc1-c1nnn[n-]1 ZINC001580014668 1277991113 /nfs/dbraw/zinc/99/11/13/1277991113.db2.gz IAIHDTSSYRXFRN-NWDGAFQWSA-N 0 3 357.418 0.971 20 30 FCEDHN Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNCc1ccc(F)c(C#N)c1 ZINC001716099558 1287371468 /nfs/dbraw/zinc/37/14/68/1287371468.db2.gz FATCFVQKALUHES-ARFHVFGLSA-N 0 3 371.416 0.801 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N(CC)CC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588354958 1282450969 /nfs/dbraw/zinc/45/09/69/1282450969.db2.gz BGMUDSNYNUDRMY-ZDUSSCGKSA-N 0 3 374.420 0.982 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588357216 1282465084 /nfs/dbraw/zinc/46/50/84/1282465084.db2.gz JEHQMDOTRTTXFG-OLZOCXBDSA-N 0 3 374.420 0.981 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588357216 1282465087 /nfs/dbraw/zinc/46/50/87/1282465087.db2.gz JEHQMDOTRTTXFG-OLZOCXBDSA-N 0 3 374.420 0.981 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588357807 1282466394 /nfs/dbraw/zinc/46/63/94/1282466394.db2.gz NKZYIJJKKLNUSE-IGEOTXOUSA-N 0 3 368.441 0.984 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588357807 1282466399 /nfs/dbraw/zinc/46/63/99/1282466399.db2.gz NKZYIJJKKLNUSE-IGEOTXOUSA-N 0 3 368.441 0.984 20 30 FCEDHN C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001588358020 1282466639 /nfs/dbraw/zinc/46/66/39/1282466639.db2.gz ONASFOGZRTZPHX-ZBFHGGJFSA-N 0 3 369.429 0.427 20 30 FCEDHN C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001588358020 1282466646 /nfs/dbraw/zinc/46/66/46/1282466646.db2.gz ONASFOGZRTZPHX-ZBFHGGJFSA-N 0 3 369.429 0.427 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001588358509 1282470104 /nfs/dbraw/zinc/47/01/04/1282470104.db2.gz YLBRBSBWSKUSGR-LBPRGKRZSA-N 0 3 372.404 0.783 20 30 FCEDHN C#CCOCCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588358719 1282470616 /nfs/dbraw/zinc/47/06/16/1282470616.db2.gz ABRVQWAVMXZJNP-KGLIPLIRSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCOCCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001588358719 1282470620 /nfs/dbraw/zinc/47/06/20/1282470620.db2.gz ABRVQWAVMXZJNP-KGLIPLIRSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCOCCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)[C@@H]1C ZINC001588358954 1282472221 /nfs/dbraw/zinc/47/22/21/1282472221.db2.gz DPLQWNUVKRBHKV-YOEHRIQHSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCOCCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)[C@@H]1C ZINC001588358954 1282472226 /nfs/dbraw/zinc/47/22/26/1282472226.db2.gz DPLQWNUVKRBHKV-YOEHRIQHSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCOCCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588358942 1282473124 /nfs/dbraw/zinc/47/31/24/1282473124.db2.gz DKRTXGZZIGIPGY-KGLIPLIRSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCOCCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588358942 1282473128 /nfs/dbraw/zinc/47/31/28/1282473128.db2.gz DKRTXGZZIGIPGY-KGLIPLIRSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588360113 1282478884 /nfs/dbraw/zinc/47/88/84/1282478884.db2.gz IOESCJWLBYMSHK-BPLDGKMQSA-N 0 3 354.414 0.642 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001588360113 1282478890 /nfs/dbraw/zinc/47/88/90/1282478890.db2.gz IOESCJWLBYMSHK-BPLDGKMQSA-N 0 3 354.414 0.642 20 30 FCEDHN C#CCOCCC(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588361363 1282482886 /nfs/dbraw/zinc/48/28/86/1282482886.db2.gz KONGRQUXIKJMEN-CYBMUJFWSA-N 0 3 374.420 0.982 20 30 FCEDHN C#CCOCCC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588361363 1282482891 /nfs/dbraw/zinc/48/28/91/1282482891.db2.gz KONGRQUXIKJMEN-CYBMUJFWSA-N 0 3 374.420 0.982 20 30 FCEDHN C#CCOCCC(=O)N[C@H](C)CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001588362564 1282487121 /nfs/dbraw/zinc/48/71/21/1282487121.db2.gz LHTWDTLDJMTELG-GFCCVEGCSA-N 0 3 360.393 0.640 20 30 FCEDHN C=C(C)CC[NH2+][C@@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001588424510 1282505679 /nfs/dbraw/zinc/50/56/79/1282505679.db2.gz LFKJIABHBFCXMI-KRWDZBQOSA-N 0 3 359.434 0.718 20 30 FCEDHN C=C(C)CC[NH2+][C@@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001588424510 1282505685 /nfs/dbraw/zinc/50/56/85/1282505685.db2.gz LFKJIABHBFCXMI-KRWDZBQOSA-N 0 3 359.434 0.718 20 30 FCEDHN C=C(C[NH+](C)C)C(=O)N1CCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001588443996 1282508761 /nfs/dbraw/zinc/50/87/61/1282508761.db2.gz DUUSOVDENNCBBV-UHFFFAOYSA-N 0 3 362.463 0.398 20 30 FCEDHN C=C(C[NH+](C)C)C(=O)N1CCN(c2snc(C)c2-c2nn[n-]n2)CC1 ZINC001588443996 1282508772 /nfs/dbraw/zinc/50/87/72/1282508772.db2.gz DUUSOVDENNCBBV-UHFFFAOYSA-N 0 3 362.463 0.398 20 30 FCEDHN C=C1CC(C)(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001588456412 1282512302 /nfs/dbraw/zinc/51/23/02/1282512302.db2.gz WQMPBYKTZWOJLB-CYBMUJFWSA-N 0 3 374.420 0.929 20 30 FCEDHN C=C1CC(C)(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001588456412 1282512317 /nfs/dbraw/zinc/51/23/17/1282512317.db2.gz WQMPBYKTZWOJLB-CYBMUJFWSA-N 0 3 374.420 0.929 20 30 FCEDHN C=CCC[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588577708 1282571878 /nfs/dbraw/zinc/57/18/78/1282571878.db2.gz LVRZKJGFQKQSQZ-PXAZEXFGSA-N 0 3 359.434 0.716 20 30 FCEDHN C=CCC[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588577708 1282571890 /nfs/dbraw/zinc/57/18/90/1282571890.db2.gz LVRZKJGFQKQSQZ-PXAZEXFGSA-N 0 3 359.434 0.716 20 30 FCEDHN C=CCC[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588577708 1282571903 /nfs/dbraw/zinc/57/19/03/1282571903.db2.gz LVRZKJGFQKQSQZ-PXAZEXFGSA-N 0 3 359.434 0.716 20 30 FCEDHN C=CCC[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588577708 1282571915 /nfs/dbraw/zinc/57/19/15/1282571915.db2.gz LVRZKJGFQKQSQZ-PXAZEXFGSA-N 0 3 359.434 0.716 20 30 FCEDHN C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](OC)C1 ZINC001588577051 1282573003 /nfs/dbraw/zinc/57/30/03/1282573003.db2.gz BCFMJTORSZTVML-NILFDRSVSA-N 0 3 359.434 0.979 20 30 FCEDHN C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](OC)C1 ZINC001588577051 1282573014 /nfs/dbraw/zinc/57/30/14/1282573014.db2.gz BCFMJTORSZTVML-NILFDRSVSA-N 0 3 359.434 0.979 20 30 FCEDHN C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](OC)C1 ZINC001588577051 1282573019 /nfs/dbraw/zinc/57/30/19/1282573019.db2.gz BCFMJTORSZTVML-NILFDRSVSA-N 0 3 359.434 0.979 20 30 FCEDHN C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](OC)C1 ZINC001588577051 1282573032 /nfs/dbraw/zinc/57/30/32/1282573032.db2.gz BCFMJTORSZTVML-NILFDRSVSA-N 0 3 359.434 0.979 20 30 FCEDHN C=CC[N@H+](CCCN1C(=O)CNC1=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588632610 1282600849 /nfs/dbraw/zinc/60/08/49/1282600849.db2.gz WOPOIRHTNHRHMK-UHFFFAOYSA-N 0 3 355.402 0.797 20 30 FCEDHN C=CC[N@@H+](CCCN1C(=O)CNC1=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588632610 1282600856 /nfs/dbraw/zinc/60/08/56/1282600856.db2.gz WOPOIRHTNHRHMK-UHFFFAOYSA-N 0 3 355.402 0.797 20 30 FCEDHN C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001588657744 1282609006 /nfs/dbraw/zinc/60/90/06/1282609006.db2.gz VQZYSSBJXBUGRH-LLVKDONJSA-N 0 3 372.433 0.080 20 30 FCEDHN C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001588660142 1282612737 /nfs/dbraw/zinc/61/27/37/1282612737.db2.gz WVMKFFDUHZSKCG-WCQYABFASA-N 0 3 372.433 0.080 20 30 FCEDHN C=CCNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001588659242 1282612827 /nfs/dbraw/zinc/61/28/27/1282612827.db2.gz JOAUTFLKUFEWRY-UHFFFAOYSA-N 0 3 374.449 0.185 20 30 FCEDHN C=CCOCC[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H](C)C1 ZINC001588682159 1282639591 /nfs/dbraw/zinc/63/95/91/1282639591.db2.gz CFDGWYBUQIXVJX-CHWSQXEVSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](C)C1 ZINC001588682159 1282639606 /nfs/dbraw/zinc/63/96/06/1282639606.db2.gz CFDGWYBUQIXVJX-CHWSQXEVSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC[C@H]21 ZINC001588682530 1282640128 /nfs/dbraw/zinc/64/01/28/1282640128.db2.gz HLKWTJONUXBFJV-XJKSGUPXSA-N 0 3 371.445 0.934 20 30 FCEDHN C=CCOCC[N@H+]1CC[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC[C@H]21 ZINC001588682530 1282640142 /nfs/dbraw/zinc/64/01/42/1282640142.db2.gz HLKWTJONUXBFJV-XJKSGUPXSA-N 0 3 371.445 0.934 20 30 FCEDHN C=CCOCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC[C@H]21 ZINC001588682530 1282640155 /nfs/dbraw/zinc/64/01/55/1282640155.db2.gz HLKWTJONUXBFJV-XJKSGUPXSA-N 0 3 371.445 0.934 20 30 FCEDHN C=CCOCC[N@H+]1CC[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC[C@H]21 ZINC001588682530 1282640167 /nfs/dbraw/zinc/64/01/67/1282640167.db2.gz HLKWTJONUXBFJV-XJKSGUPXSA-N 0 3 371.445 0.934 20 30 FCEDHN C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC[C@@H]21 ZINC001588682527 1282642730 /nfs/dbraw/zinc/64/27/30/1282642730.db2.gz HLKWTJONUXBFJV-CJNGLKHVSA-N 0 3 371.445 0.934 20 30 FCEDHN C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC[C@@H]21 ZINC001588682527 1282642745 /nfs/dbraw/zinc/64/27/45/1282642745.db2.gz HLKWTJONUXBFJV-CJNGLKHVSA-N 0 3 371.445 0.934 20 30 FCEDHN C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC[C@@H]21 ZINC001588682527 1282642756 /nfs/dbraw/zinc/64/27/56/1282642756.db2.gz HLKWTJONUXBFJV-CJNGLKHVSA-N 0 3 371.445 0.934 20 30 FCEDHN C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC[C@@H]21 ZINC001588682527 1282642763 /nfs/dbraw/zinc/64/27/63/1282642763.db2.gz HLKWTJONUXBFJV-CJNGLKHVSA-N 0 3 371.445 0.934 20 30 FCEDHN C=CCOCC[N@@H+]1C[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC001588683570 1282648770 /nfs/dbraw/zinc/64/87/70/1282648770.db2.gz YURLOQXNYPVCCK-TZMCWYRMSA-N 0 3 359.434 0.695 20 30 FCEDHN C=CCOCC[N@H+]1C[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC001588683570 1282648785 /nfs/dbraw/zinc/64/87/85/1282648785.db2.gz YURLOQXNYPVCCK-TZMCWYRMSA-N 0 3 359.434 0.695 20 30 FCEDHN C=CCOCC[N@@H+]1C[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC001588683570 1282648804 /nfs/dbraw/zinc/64/88/04/1282648804.db2.gz YURLOQXNYPVCCK-TZMCWYRMSA-N 0 3 359.434 0.695 20 30 FCEDHN C=CCOCC[N@H+]1C[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC001588683570 1282648816 /nfs/dbraw/zinc/64/88/16/1282648816.db2.gz YURLOQXNYPVCCK-TZMCWYRMSA-N 0 3 359.434 0.695 20 30 FCEDHN CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CC#Cc2ccccc2)C1)N(C)C ZINC001682472257 1283605599 /nfs/dbraw/zinc/60/55/99/1283605599.db2.gz CVLLEOBDIIKWLF-GGPKGHCWSA-N 0 3 371.481 0.702 20 30 FCEDHN COC(=O)[C@@H](C)CN(C)C(=O)C(C#N)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591230346 1284370407 /nfs/dbraw/zinc/37/04/07/1284370407.db2.gz ZPXJBRTWVVDBAO-SMDDNHRTSA-N 0 3 356.386 0.816 20 30 FCEDHN COC(=O)[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591252577 1284410341 /nfs/dbraw/zinc/41/03/41/1284410341.db2.gz LQGLBSAIZHCMBK-ZIAGYGMSSA-N 0 3 354.370 0.570 20 30 FCEDHN COCC#CC[NH2+]CC(C)(C)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001591360903 1284495565 /nfs/dbraw/zinc/49/55/65/1284495565.db2.gz IKZQBLMPLIJILL-UHFFFAOYSA-N 0 3 359.434 0.532 20 30 FCEDHN COCC#CC[NH2+]CC(C)(C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001591360903 1284495569 /nfs/dbraw/zinc/49/55/69/1284495569.db2.gz IKZQBLMPLIJILL-UHFFFAOYSA-N 0 3 359.434 0.532 20 30 FCEDHN COCC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001591360234 1284495720 /nfs/dbraw/zinc/49/57/20/1284495720.db2.gz AZBDYFUDMKSBQJ-ZIAGYGMSSA-N 0 3 371.445 0.675 20 30 FCEDHN COCC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001591360259 1284495876 /nfs/dbraw/zinc/49/58/76/1284495876.db2.gz BSMKWPOBLFAGOT-QWHCGFSZSA-N 0 3 357.418 0.285 20 30 FCEDHN COCC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001591360259 1284495879 /nfs/dbraw/zinc/49/58/79/1284495879.db2.gz BSMKWPOBLFAGOT-QWHCGFSZSA-N 0 3 357.418 0.285 20 30 FCEDHN COCC#CC[NH2+]CC1(CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001591361420 1284497381 /nfs/dbraw/zinc/49/73/81/1284497381.db2.gz LPBUYUBRFQCDPY-UHFFFAOYSA-N 0 3 357.418 0.334 20 30 FCEDHN COCC#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001591361456 1284497612 /nfs/dbraw/zinc/49/76/12/1284497612.db2.gz MTBVSKCUJZIPRC-CJNGLKHVSA-N 0 3 371.445 0.817 20 30 FCEDHN COCC#CC[NH2+]C1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCC1 ZINC001591361434 1284497685 /nfs/dbraw/zinc/49/76/85/1284497685.db2.gz LWGZDFKHBLHVQA-UHFFFAOYSA-N 0 3 357.418 0.477 20 30 FCEDHN COCC#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001591361460 1284497898 /nfs/dbraw/zinc/49/78/98/1284497898.db2.gz MTBVSKCUJZIPRC-XJKSGUPXSA-N 0 3 371.445 0.817 20 30 FCEDHN COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001591361438 1284498206 /nfs/dbraw/zinc/49/82/06/1284498206.db2.gz MFGFHLHZXSUEHZ-HNNXBMFYSA-N 0 3 357.418 0.285 20 30 FCEDHN COCC#CC[NH2+][C@@H](CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001591361796 1284498242 /nfs/dbraw/zinc/49/82/42/1284498242.db2.gz NPPWXZJDBKEVSJ-HNNXBMFYSA-N 0 3 373.461 0.921 20 30 FCEDHN COc1ccc(-c2nn[nH]n2)cc1CN[C@@H](C)CNC(=O)C#CC1CC1 ZINC001591558403 1284733785 /nfs/dbraw/zinc/73/37/85/1284733785.db2.gz GMWKCIBGXOAQMW-LBPRGKRZSA-N 0 3 354.414 0.883 20 30 FCEDHN N#CCSCC(=O)NCCC[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001592679167 1285574266 /nfs/dbraw/zinc/57/42/66/1285574266.db2.gz HTQNKWIJQHCWSI-UHFFFAOYSA-N 0 3 363.422 0.858 20 30 FCEDHN N#CCSCC(=O)NCCC[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001592679167 1285574267 /nfs/dbraw/zinc/57/42/67/1285574267.db2.gz HTQNKWIJQHCWSI-UHFFFAOYSA-N 0 3 363.422 0.858 20 30 FCEDHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@@H]1O)N(C)C ZINC001735942660 1289063767 /nfs/dbraw/zinc/06/37/67/1289063767.db2.gz JLYHJGOJXJPZFD-KURKYZTESA-N 0 3 357.454 0.456 20 30 FCEDHN C=C(C[NH+](C)C)C(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001602768417 1287109326 /nfs/dbraw/zinc/10/93/26/1287109326.db2.gz XGTBSVXIQGUNJP-UHFFFAOYSA-N 0 3 359.409 0.772 20 30 FCEDHN C=C(C[NH+](C)C)C(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001602768417 1287109329 /nfs/dbraw/zinc/10/93/29/1287109329.db2.gz XGTBSVXIQGUNJP-UHFFFAOYSA-N 0 3 359.409 0.772 20 30 FCEDHN COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H](C)C#N)C2)cc1-c1nnn[n-]1 ZINC001605284340 1287922082 /nfs/dbraw/zinc/92/20/82/1287922082.db2.gz SIVHTBLXIATLAF-TZMCWYRMSA-N 0 3 369.429 0.973 20 30 FCEDHN COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H](C)C#N)C2)cc1-c1nn[n-]n1 ZINC001605284340 1287922084 /nfs/dbraw/zinc/92/20/84/1287922084.db2.gz SIVHTBLXIATLAF-TZMCWYRMSA-N 0 3 369.429 0.973 20 30 FCEDHN CCCN(C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001719478992 1288138757 /nfs/dbraw/zinc/13/87/57/1288138757.db2.gz ILKBURZZWKRJFY-CWRNSKLLSA-N 0 3 360.462 0.332 20 30 FCEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)N(C)CCC[NH2+]C ZINC001609055842 1288890574 /nfs/dbraw/zinc/89/05/74/1288890574.db2.gz YZTSUDHYSVWEAO-UHFFFAOYSA-N 0 3 371.445 0.449 20 30 FCEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)N(C)CCC[NH2+]C ZINC001609055842 1288890575 /nfs/dbraw/zinc/89/05/75/1288890575.db2.gz YZTSUDHYSVWEAO-UHFFFAOYSA-N 0 3 371.445 0.449 20 30 FCEDHN C=CCOCC(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)NC(=O)NC1CC1 ZINC001692061167 1289381668 /nfs/dbraw/zinc/38/16/68/1289381668.db2.gz OPWHZUSZTJCFDD-HIFRSBDPSA-N 0 3 366.462 0.394 20 30 FCEDHN C#CCCCC(=O)N[C@H]1CCN(C[C@@H]2CCN(S(C)(=O)=O)C2)[C@@H]1C ZINC001692157112 1289410225 /nfs/dbraw/zinc/41/02/25/1289410225.db2.gz ZBTJJZYAMWHXTN-PMPSAXMXSA-N 0 3 355.504 0.650 20 30 FCEDHN C#CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC001698849800 1289537281 /nfs/dbraw/zinc/53/72/81/1289537281.db2.gz VXEZTSFBPRVBJT-FHLIZLRMSA-N 0 3 357.454 0.985 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](O)CNCc1cc(=O)c(OC)co1 ZINC001699064837 1289544307 /nfs/dbraw/zinc/54/43/07/1289544307.db2.gz ZVUAIEUTGWZRKP-IFIJOSMWSA-N 0 3 366.414 0.196 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)CNCc1cccc(NC(C)=O)c1 ZINC001699067076 1289546562 /nfs/dbraw/zinc/54/65/62/1289546562.db2.gz QXPJOWUFPGONIE-KSZLIROESA-N 0 3 361.442 0.803 20 30 FCEDHN C[C@H](CNCC#Cc1ccccc1)NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001699372287 1289552691 /nfs/dbraw/zinc/55/26/91/1289552691.db2.gz REWTVKNXMYJHAC-NXHRZFHOSA-N 0 3 357.454 0.946 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](CNCC(=O)NC(N)=O)C1CCCC1 ZINC001699802224 1289568067 /nfs/dbraw/zinc/56/80/67/1289568067.db2.gz WLKWSPDQVQAXAY-DZKIICNBSA-N 0 3 366.462 0.427 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2cnn(CCOC)c2)C[C@H]1c1cnn(C)c1 ZINC001689036172 1294580932 /nfs/dbraw/zinc/58/09/32/1294580932.db2.gz PHAJGNPSXYCIAB-ZWKOTPCHSA-N 0 3 370.457 0.484 20 30 FCEDHN C=CCNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](CC)OC ZINC001689082633 1294601732 /nfs/dbraw/zinc/60/17/32/1294601732.db2.gz QOWNKMDMOCIREV-QLFBSQMISA-N 0 3 368.478 0.640 20 30 FCEDHN C=CCNC(=O)[C@@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)CCNC(=O)NC ZINC001689087630 1294606158 /nfs/dbraw/zinc/60/61/58/1294606158.db2.gz GHKHAROBYRNXEX-KFWWJZLASA-N 0 3 367.494 0.213 20 30 FCEDHN Cc1cc(OCC(=O)N2CC[C@@H](C)C[C@H]2CNCC(=O)NCC#N)no1 ZINC001689091525 1294610147 /nfs/dbraw/zinc/61/01/47/1294610147.db2.gz GEYJRRAYSNONCP-OCCSQVGLSA-N 0 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N#Cc1c[nH]c2ncnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164740734 720606074 /nfs/dbraw/zinc/60/60/74/720606074.db2.gz ISCFKPUQLBYHOI-ZIAGYGMSSA-N 0 3 362.397 0.961 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2CCCS(=O)(=O)C2)C[C@H]1c1cn(C)cn1 ZINC001070541970 837657795 /nfs/dbraw/zinc/65/77/95/837657795.db2.gz LYLKXQKRNUOSGL-IJEWVQPXSA-N 0 3 366.487 0.315 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1C(F)(F)F ZINC001099342235 844035011 /nfs/dbraw/zinc/03/50/11/844035011.db2.gz GJZJTMMDQXNUCF-GMTAPVOTSA-N 0 3 355.382 0.233 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)c2csc(=O)[nH]2)[C@H](C)C1 ZINC001102250987 844452710 /nfs/dbraw/zinc/45/27/10/844452710.db2.gz RKBXPEFBMNTMMV-IJLUTSLNSA-N 0 3 352.460 0.837 20 30 FCEDHN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001080177482 839678418 /nfs/dbraw/zinc/67/84/18/839678418.db2.gz NWJROHZUMNNHJQ-TVFCKZIOSA-N 0 3 351.491 0.879 20 30 FCEDHN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H]1CN(CC(=O)N(C)C)C[C@H]1C ZINC001102438968 844498550 /nfs/dbraw/zinc/49/85/50/844498550.db2.gz LJIJSXILWHPLFR-FVQBIDKESA-N 0 3 352.479 0.230 20 30 FCEDHN C[C@H](C(=O)N1C[C@@H](C)[C@H](NCc2ccc(C#N)s2)C1)S(C)(=O)=O ZINC001082597638 840483290 /nfs/dbraw/zinc/48/32/90/840483290.db2.gz HVOLRYAQRUGWPW-JTNHKYCSSA-N 0 3 355.485 0.989 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H]2COCCN2CC2CCC2)[C@@H](O)C1 ZINC001083670472 841296303 /nfs/dbraw/zinc/29/63/03/841296303.db2.gz BNUZLBFHRRZPLK-SQNIBIBYSA-N 0 3 351.491 0.615 20 30 FCEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001086624349 842137175 /nfs/dbraw/zinc/13/71/75/842137175.db2.gz AAGDLDPGLTVASO-GVDBMIGSSA-N 0 3 363.483 0.838 20 30 FCEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)c2nc(C)n(-c3nc[nH]n3)n2)C1 ZINC001086771625 842169730 /nfs/dbraw/zinc/16/97/30/842169730.db2.gz UOKRPZJROMEREB-NWDGAFQWSA-N 0 3 364.841 0.934 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)Cn2c(C)csc2=O)C[C@H]1c1cnn(C)c1 ZINC001087009214 842210282 /nfs/dbraw/zinc/21/02/82/842210282.db2.gz 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30 FCEDHN C=CCN(CC=C)CCN1CCN(S(=O)(=O)c2cn(C)cn2)CC1 ZINC001258998346 858220131 /nfs/dbraw/zinc/22/01/31/858220131.db2.gz TZCFVHLFDKWJAI-UHFFFAOYSA-N 0 3 353.492 0.400 20 30 FCEDHN C=CCS(=O)(=O)N1CCCn2c(=O)cc(CN3CCCC3)nc2C1 ZINC001259927049 858308616 /nfs/dbraw/zinc/30/86/16/858308616.db2.gz LXEMLXGLIWGDDB-UHFFFAOYSA-N 0 3 352.460 0.561 20 30 FCEDHN CCN1C[C@@H](C)N(c2nnc(C[C@H](O)CC#N)n2CCOC)C[C@@H]1C ZINC001263244021 859136284 /nfs/dbraw/zinc/13/62/84/859136284.db2.gz OCBPJZMPKIPPFW-RRFJBIMHSA-N 0 3 350.467 0.660 20 30 FCEDHN C[C@@H](O)CN1CCC[C@@]2(C1)CN(C(=O)C1(C#N)CCOCC1)CCO2 ZINC001280184515 863313412 /nfs/dbraw/zinc/31/34/12/863313412.db2.gz LKFIUZWBSLNZOZ-CRAIPNDOSA-N 0 3 351.447 0.381 20 30 FCEDHN CN(C)CCN(Cc1ccsc1)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 ZINC001349349790 866313593 /nfs/dbraw/zinc/31/35/93/866313593.db2.gz XBAXCXQZQCJOSF-KRWDZBQOSA-N 0 3 364.471 0.515 20 30 FCEDHN C=CCN(C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)[C@H](C)COC ZINC001350926930 866734743 /nfs/dbraw/zinc/73/47/43/866734743.db2.gz OCUFOHGJUOZJDZ-ZBFHGGJFSA-N 0 3 353.463 0.405 20 30 FCEDHN CN(CCCNCCS(=O)(=O)c1ccc(C#N)cc1)S(C)(=O)=O ZINC001353232904 867378947 /nfs/dbraw/zinc/37/89/47/867378947.db2.gz YHJLTHUFEPCNSF-UHFFFAOYSA-N 0 3 359.473 0.203 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N(C)[C@@H](C)CS(=O)(=O)CC)CC1 ZINC001323249147 869116559 /nfs/dbraw/zinc/11/65/59/869116559.db2.gz XPOZZMDOXPBHSA-ZDUSSCGKSA-N 0 3 359.492 0.035 20 30 FCEDHN Cc1nc(CC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)c(C)s1 ZINC001343377230 870391553 /nfs/dbraw/zinc/39/15/53/870391553.db2.gz JRLHXKKAWDEMGS-LLVKDONJSA-N 0 3 355.441 0.268 20 30 FCEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC(=O)N(C)C1)C(C)C ZINC001345073255 871176309 /nfs/dbraw/zinc/17/63/09/871176309.db2.gz OGLUOXWIGCYHQS-CABCVRRESA-N 0 3 350.463 0.148 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCCC[C@@H]2CNC(C)=O)CC1 ZINC001330134082 872483474 /nfs/dbraw/zinc/48/34/74/872483474.db2.gz ZOEJCNCXVUICKC-MRXNPFEDSA-N 0 3 350.463 0.270 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573286226 946799171 /nfs/dbraw/zinc/79/91/71/946799171.db2.gz WPUKKNQYFPNJNS-UKRRQHHQSA-N 0 3 354.414 0.596 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573286226 946799177 /nfs/dbraw/zinc/79/91/77/946799177.db2.gz WPUKKNQYFPNJNS-UKRRQHHQSA-N 0 3 354.414 0.596 20 30 FCEDHN C[C@@H](C#N)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573561867 946968794 /nfs/dbraw/zinc/96/87/94/946968794.db2.gz OBOOBTMIKYKBMM-CMPLNLGQSA-N 0 3 361.381 0.074 20 30 FCEDHN C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](OC)C1 ZINC001573334633 947459093 /nfs/dbraw/zinc/45/90/93/947459093.db2.gz PPJZPKRJBKUICW-NILFDRSVSA-N 0 3 359.434 0.979 20 30 FCEDHN C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](OC)C1 ZINC001573334633 947459101 /nfs/dbraw/zinc/45/91/01/947459101.db2.gz PPJZPKRJBKUICW-NILFDRSVSA-N 0 3 359.434 0.979 20 30 FCEDHN C=CCOCC[NH+]1CCC2(C[C@H]2NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573347853 947576063 /nfs/dbraw/zinc/57/60/63/947576063.db2.gz IWIGWLUPQDYZNM-OAHLLOKOSA-N 0 3 371.445 0.982 20 30 FCEDHN C=CCOCC[NH+]1CCC2(C[C@H]2NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573347853 947576068 /nfs/dbraw/zinc/57/60/68/947576068.db2.gz IWIGWLUPQDYZNM-OAHLLOKOSA-N 0 3 371.445 0.982 20 30 FCEDHN C=CCOCC[N@H+]1C[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@]2(C)C1 ZINC001573347681 947577627 /nfs/dbraw/zinc/57/76/27/947577627.db2.gz GJRRABNKQHKJIV-KDOFPFPSSA-N 0 3 371.445 0.791 20 30 FCEDHN C=CCOCC[N@@H+]1C[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@]2(C)C1 ZINC001573347681 947577635 /nfs/dbraw/zinc/57/76/35/947577635.db2.gz GJRRABNKQHKJIV-KDOFPFPSSA-N 0 3 371.445 0.791 20 30 FCEDHN C=CCOCC[N@H+]1C[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@]2(C)C1 ZINC001573347681 947577642 /nfs/dbraw/zinc/57/76/42/947577642.db2.gz GJRRABNKQHKJIV-KDOFPFPSSA-N 0 3 371.445 0.791 20 30 FCEDHN C=CCOCC[N@@H+]1C[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@]2(C)C1 ZINC001573347681 947577646 /nfs/dbraw/zinc/57/76/46/947577646.db2.gz GJRRABNKQHKJIV-KDOFPFPSSA-N 0 3 371.445 0.791 20 30 FCEDHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]Cc1cccc(C#N)c1 ZINC001574996322 950524262 /nfs/dbraw/zinc/52/42/62/950524262.db2.gz LHYRBRRLRIKGBA-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]Cc1cccc(C#N)c1 ZINC001574996322 950524274 /nfs/dbraw/zinc/52/42/74/950524274.db2.gz LHYRBRRLRIKGBA-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000128274106 529445192 /nfs/dbraw/zinc/44/51/92/529445192.db2.gz KBYORFUGXZQTGX-LBPRGKRZSA-N 0 3 373.413 0.903 20 30 FCEDHN CN1CCN(Cc2ccc(CNC(=O)N3CCO[C@@H](C#N)C3)cc2)CC1 ZINC000106330798 529774616 /nfs/dbraw/zinc/77/46/16/529774616.db2.gz INQLLFGNQXTLSL-SFHVURJKSA-N 0 3 357.458 0.868 20 30 FCEDHN CCN1C[C@@H](C)N(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)[C@@H](C)C1 ZINC000332372827 215139646 /nfs/dbraw/zinc/13/96/46/215139646.db2.gz FRZFOGKBUQEWCN-GASCZTMLSA-N 0 3 374.489 0.918 20 30 FCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)CC2)o1 ZINC000333034448 215226602 /nfs/dbraw/zinc/22/66/02/215226602.db2.gz CSIZVUCHNKVGIO-IAOVAPTHSA-N 0 3 373.457 0.906 20 30 FCEDHN N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCOC4(CNC4)C3)C2=O)cc1 ZINC000333611693 215302668 /nfs/dbraw/zinc/30/26/68/215302668.db2.gz QQCHSTXZCWZTCP-INIZCTEOSA-N 0 3 369.425 0.437 20 30 FCEDHN C[C@@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000284116229 213078349 /nfs/dbraw/zinc/07/83/49/213078349.db2.gz UYPNHGOTDYJNOK-OAHLLOKOSA-N 0 3 371.485 0.878 20 30 FCEDHN COCCN1CCC(NC(=O)N2CCN(c3ncccc3C#N)CC2)CC1 ZINC000195139420 209333749 /nfs/dbraw/zinc/33/37/49/209333749.db2.gz JMXSAUKOZOGTLH-UHFFFAOYSA-N 0 3 372.473 0.896 20 30 FCEDHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000195147835 209333412 /nfs/dbraw/zinc/33/34/12/209333412.db2.gz YXBBYLOXFAASGW-MRXNPFEDSA-N 0 3 362.455 0.485 20 30 FCEDHN N#Cc1ccc(N2CCN(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2)nc1 ZINC000369028778 216334858 /nfs/dbraw/zinc/33/48/58/216334858.db2.gz SMRYNYOMXJUBOD-IRXDYDNUSA-N 0 3 370.457 0.648 20 30 FCEDHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000373820435 217064900 /nfs/dbraw/zinc/06/49/00/217064900.db2.gz VXKCIVIIOMBBCZ-CYBMUJFWSA-N 0 3 368.484 0.547 20 30 FCEDHN C[C@@]1(C2CCN(C[C@H](O)COc3ccc(C#N)cc3)CC2)NC(=O)NC1=O ZINC000374105126 217096254 /nfs/dbraw/zinc/09/62/54/217096254.db2.gz HHYDPWDABVLYBR-KXBFYZLASA-N 0 3 372.425 0.608 20 30 FCEDHN CO[C@@H]1CCN(C(=O)C(=O)NCCOc2ccc(C#N)cc2)[C@@H](CN)C1 ZINC000419462570 246173258 /nfs/dbraw/zinc/17/32/58/246173258.db2.gz JTCYQTFOPPVPBK-GDBMZVCRSA-N 0 3 360.414 0.018 20 30 FCEDHN N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCCC[C@H]3CN)CC2)c(F)c1 ZINC000423630401 247084590 /nfs/dbraw/zinc/08/45/90/247084590.db2.gz YSAYSNFZQSKEBX-HNNXBMFYSA-N 0 3 373.432 0.686 20 30 FCEDHN N#CCCC[C@@H](N)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000424103318 247168270 /nfs/dbraw/zinc/16/82/70/247168270.db2.gz DJPZQFSYCJGKOW-CYBMUJFWSA-N 0 3 369.403 0.010 20 30 FCEDHN N#CCCC[C@@H](N)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000424136484 247172590 /nfs/dbraw/zinc/17/25/90/247172590.db2.gz KRTWPQMQPBIWHO-MSOLQXFVSA-N 0 3 369.469 0.957 20 30 FCEDHN CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)[C@H](N)CCCC#N)C2 ZINC000424181268 247176575 /nfs/dbraw/zinc/17/65/75/247176575.db2.gz BQMOEBAIJAEKLH-OAHLLOKOSA-N 0 3 364.471 0.843 20 30 FCEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCOCCN(C)C ZINC000441853062 248263633 /nfs/dbraw/zinc/26/36/33/248263633.db2.gz VAGJRWRTUDJZHL-UHFFFAOYSA-N 0 3 362.430 0.978 20 30 FCEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](S(N)(=O)=O)C1)C(C)C ZINC000444845013 248369069 /nfs/dbraw/zinc/36/90/69/248369069.db2.gz GARYDEYUUYZNEC-HUUCEWRRSA-N 0 3 358.508 0.757 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)CCOCCO)cc1 ZINC000481064774 250311633 /nfs/dbraw/zinc/31/16/33/250311633.db2.gz YEGMVUWBORTYSV-GFCCVEGCSA-N 0 3 355.416 0.845 20 30 FCEDHN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000482398675 250389820 /nfs/dbraw/zinc/38/98/20/250389820.db2.gz OJCRNDWZRHZOJX-IPYPFGDCSA-N 0 3 364.471 0.824 20 30 FCEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000072882838 208041975 /nfs/dbraw/zinc/04/19/75/208041975.db2.gz ZCFMJQQCMKOTQZ-SFHVURJKSA-N 0 3 372.469 0.943 20 30 FCEDHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000076257402 208065419 /nfs/dbraw/zinc/06/54/19/208065419.db2.gz CMJMDUKGAYOBON-HNNXBMFYSA-N 0 3 357.458 0.887 20 30 FCEDHN Cc1ccc(C(=O)N2CCC[C@H](N(C)C)C2)cc1S(=O)(=O)NCC#N ZINC000067044526 229149932 /nfs/dbraw/zinc/14/99/32/229149932.db2.gz PUZHTIBVYHOCKG-HNNXBMFYSA-N 0 3 364.471 0.963 20 30 FCEDHN NC(=NOCC(=O)NCC1CC1)c1ccccc1CN1CCC(O)CC1 ZINC000154317716 229186912 /nfs/dbraw/zinc/18/69/12/229186912.db2.gz IBGQGKCRDFPXEO-UHFFFAOYSA-N 0 3 360.458 0.806 20 30 FCEDHN COC[C@H](C)NC(=O)NC(=O)CN1CCN(C2CCOCC2)C[C@@H]1C ZINC000331137918 229844074 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491786345 /nfs/dbraw/zinc/78/63/45/491786345.db2.gz FFNQAVUKAHNZCS-UHFFFAOYSA-N 0 3 350.382 0.944 20 30 FCEDHN COC(=O)[C@H]1CN(C)CCN(C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000591044542 491794097 /nfs/dbraw/zinc/79/40/97/491794097.db2.gz BSUMPEBHNSXXOB-IRXDYDNUSA-N 0 3 361.442 0.529 20 30 FCEDHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)[C@H]1CN ZINC000591583305 491809604 /nfs/dbraw/zinc/80/96/04/491809604.db2.gz JLFGTWCHFORMCU-ZBFHGGJFSA-N 0 3 370.457 0.188 20 30 FCEDHN N#CC1(C[C@H](O)CNCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000600722016 491878777 /nfs/dbraw/zinc/87/87/77/491878777.db2.gz PMDIOQCUGGXYGH-ZDUSSCGKSA-N 0 3 368.415 0.517 20 30 FCEDHN Cc1cc(NC(=O)C(=O)N[C@H]2CCN(C3CCCCC3)C2)nn1CCC#N ZINC000595164076 491893681 /nfs/dbraw/zinc/89/36/81/491893681.db2.gz DCLGAFJWQRLIAB-HNNXBMFYSA-N 0 3 372.473 1.567 20 30 FCEDHN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cnn(CCN(C)C)c1 ZINC000601308416 491903097 /nfs/dbraw/zinc/90/30/97/491903097.db2.gz RJZUQYQUMRDFIC-CQSZACIVSA-N 0 3 368.445 0.457 20 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O=C1c2ccccc2C(=O)N1CC#CCN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000625135433 492728605 /nfs/dbraw/zinc/72/86/05/492728605.db2.gz LYBMOEARWPAQHR-MOPGFXCFSA-N 0 3 367.449 0.817 20 30 FCEDHN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(CC)CCN)cc1 ZINC000626854104 493037935 /nfs/dbraw/zinc/03/79/35/493037935.db2.gz CLDUAMVNCDKBQT-UHFFFAOYSA-N 0 3 368.459 0.239 20 30 FCEDHN C=CC[C@H]1CCCN(C(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC000658776033 493050216 /nfs/dbraw/zinc/05/02/16/493050216.db2.gz QGOOZFWOTHZOFS-HNNXBMFYSA-N 0 3 350.463 0.034 20 30 FCEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659684369 493251592 /nfs/dbraw/zinc/25/15/92/493251592.db2.gz IJNUWZAYNIOABX-CQSZACIVSA-N 0 3 369.425 0.561 20 30 FCEDHN C=CCc1ccc(OC[C@@H](O)CNC2(C(N)=O)CCOCC2)c(OC)c1 ZINC000661593669 493449108 /nfs/dbraw/zinc/44/91/08/493449108.db2.gz CEGZLUXWWSCWCN-HNNXBMFYSA-N 0 3 364.442 0.788 20 30 FCEDHN C=CCN1CCC(NC(=O)NCc2cccc(CS(N)(=O)=O)c2)CC1 ZINC000669649768 493518461 /nfs/dbraw/zinc/51/84/61/493518461.db2.gz DHBGQWYEZLDZQW-UHFFFAOYSA-N 0 3 366.487 0.925 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000676292480 493542478 /nfs/dbraw/zinc/54/24/78/493542478.db2.gz BEIMCGLYLSGHMO-UHFFFAOYSA-N 0 3 351.495 0.442 20 30 FCEDHN C=CCn1cc(CNC(=O)C(=O)Nc2cccc(OCCN(C)C)c2)nn1 ZINC000425795022 534452387 /nfs/dbraw/zinc/45/23/87/534452387.db2.gz FWFSGLHLVCMAIM-UHFFFAOYSA-N 0 3 372.429 0.659 20 30 FCEDHN C=CCn1cc(CNC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)nn1 ZINC000425465299 534460240 /nfs/dbraw/zinc/46/02/40/534460240.db2.gz MSIDRKCYWRZVLW-OAHLLOKOSA-N 0 3 363.466 0.206 20 30 FCEDHN N#CC1(NC(=O)CN2CCC(N3CCC[C@@H]3C(N)=O)CC2)CCCCC1 ZINC000159374666 534569864 /nfs/dbraw/zinc/56/98/64/534569864.db2.gz XDTKFWJAQHFZLM-MRXNPFEDSA-N 0 3 361.490 0.743 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N(CCN(C)C)Cc2ccco2)CC1 ZINC000286338877 526416278 /nfs/dbraw/zinc/41/62/78/526416278.db2.gz AVSFPLXSILDVKF-UHFFFAOYSA-N 0 3 362.474 0.936 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CC1 ZINC000173272933 526418206 /nfs/dbraw/zinc/41/82/06/526418206.db2.gz LZGLAROOXLIKMG-UHFFFAOYSA-N 0 3 355.402 0.367 20 30 FCEDHN C=CCN1CCC(NC(=O)N2CCN(CC(=O)NC(C)C)CC2)CC1 ZINC000171737419 526426467 /nfs/dbraw/zinc/42/64/67/526426467.db2.gz AMLVAJMYXGIFFN-UHFFFAOYSA-N 0 3 351.495 0.489 20 30 FCEDHN C=CCN1CCC(NC(=O)c2cc(S(N)(=O)=O)ccc2OC)CC1 ZINC000264470095 526447002 /nfs/dbraw/zinc/44/70/02/526447002.db2.gz IPGAHSZKZXJEFG-UHFFFAOYSA-N 0 3 353.444 0.723 20 30 FCEDHN C=CCNC(=O)CNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000181191218 526547539 /nfs/dbraw/zinc/54/75/39/526547539.db2.gz UOGCEKKUACBCNX-GASCZTMLSA-N 0 3 352.479 0.819 20 30 FCEDHN C=CCNC(=O)CNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000190642662 526554181 /nfs/dbraw/zinc/55/41/81/526554181.db2.gz DXQPQLKUODSOCW-QGZVFWFLSA-N 0 3 360.458 0.879 20 30 FCEDHN C=CCNC(=O)CNC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000180395927 526554971 /nfs/dbraw/zinc/55/49/71/526554971.db2.gz VCRYTGPAROLIJW-UHFFFAOYSA-N 0 3 359.474 0.535 20 30 FCEDHN C=CCN(CC=C)[C@H](CNC(=O)Cn1cc(S(N)(=O)=O)cn1)C(C)C ZINC000267856934 527648933 /nfs/dbraw/zinc/64/89/33/527648933.db2.gz HIRHCBKMYPILQA-OAHLLOKOSA-N 0 3 369.491 0.345 20 30 FCEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000162805319 527934517 /nfs/dbraw/zinc/93/45/17/527934517.db2.gz MSUVNFMJIULTOE-GJYPPUQNSA-N 0 3 363.506 0.668 20 30 FCEDHN CCN(CCC#N)S(=O)(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000409477824 528378680 /nfs/dbraw/zinc/37/86/80/528378680.db2.gz YHNWGMAOEAACAJ-UHFFFAOYSA-N 0 3 371.551 0.957 20 30 FCEDHN CCN(C[C@H](C)C#N)S(=O)(=O)N(CCN(C)C)C1CCN(C)CC1 ZINC000409500207 528706718 /nfs/dbraw/zinc/70/67/18/528706718.db2.gz JQAHGNKIAASLHM-OAHLLOKOSA-N 0 3 359.540 0.671 20 30 FCEDHN CN(CCOCc1ccc(C#N)cc1)C(=O)C(=O)N1CCCC[C@@H]1CN ZINC000423585705 536397778 /nfs/dbraw/zinc/39/77/78/536397778.db2.gz AEFUDSLJQBPABM-QGZVFWFLSA-N 0 3 358.442 0.873 20 30 FCEDHN COc1ccc([C@H]2CCNC[C@H]2NS(=O)(=O)N(C)CCC#N)cc1 ZINC000440856247 536944694 /nfs/dbraw/zinc/94/46/94/536944694.db2.gz PXUKZWXZFSGCHY-HZPDHXFCSA-N 0 3 352.460 0.821 20 30 FCEDHN N#Cc1cnn2cc(CNC[C@]3(N4CCOCC4)CCSC3)cnc12 ZINC000550848885 546532759 /nfs/dbraw/zinc/53/27/59/546532759.db2.gz VCPDYGIHUTYOST-QGZVFWFLSA-N 0 3 358.471 0.898 20 30 FCEDHN C[C@@H]1C[C@H](NC(=O)N2CCC(C(=O)N3CCOCC3)CC2)CCN1C ZINC000329813015 546564553 /nfs/dbraw/zinc/56/45/53/546564553.db2.gz SNFABGVFNBDECN-GDBMZVCRSA-N 0 3 352.479 0.954 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](F)C2)cc1 ZINC000593637227 546733279 /nfs/dbraw/zinc/73/32/79/546733279.db2.gz DZFRPHBVAXHQRM-GHMZBOCLSA-N 0 3 353.375 0.881 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCSC3(CCOCC3)C2)CC1 ZINC000553669179 547299333 /nfs/dbraw/zinc/29/93/33/547299333.db2.gz MNKXZGVTZKBMEL-UHFFFAOYSA-N 0 3 367.515 0.878 20 30 FCEDHN C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735398224 598373589 /nfs/dbraw/zinc/37/35/89/598373589.db2.gz FZFXQLJKZXNHQK-UHFFFAOYSA-N 0 3 369.429 0.962 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)c3csnn3)C[C@H]2C)CC1 ZINC000957301656 674540839 /nfs/dbraw/zinc/54/08/39/674540839.db2.gz WPLVHHARMRVRTR-TZMCWYRMSA-N 0 3 361.471 0.460 20 30 FCEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@@H](NC(=O)Cc2nc[nH]c2C)[C@@H](O)C1 ZINC000969418811 663168309 /nfs/dbraw/zinc/16/83/09/663168309.db2.gz RJBBNASJGTUSCY-OLZOCXBDSA-N 0 3 354.838 0.727 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN(CCN2CCNC2=O)C1 ZINC001028548652 664901475 /nfs/dbraw/zinc/90/14/75/664901475.db2.gz DCXCOVULHQCVMS-XHSDSOJGSA-N 0 3 350.463 0.431 20 30 FCEDHN CN(C)CCCS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000866918918 665163935 /nfs/dbraw/zinc/16/39/35/665163935.db2.gz FTHYMROZKANRAE-CYBMUJFWSA-N 0 3 360.480 0.713 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)c3csnn3)[C@@H]2C)CC1 ZINC000988506881 665296603 /nfs/dbraw/zinc/29/66/03/665296603.db2.gz RKPYIHSMQIPAEH-OCCSQVGLSA-N 0 3 361.471 0.603 20 30 FCEDHN CC(C)NS(=O)(=O)c1cc(C(=O)NCC#CCN(C)C)ccc1F ZINC000913517136 666531849 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Cc1ccccc1OCC(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000732908379 666910045 /nfs/dbraw/zinc/91/00/45/666910045.db2.gz JSCDBQYXAIXYQK-CYBMUJFWSA-N 0 3 350.396 0.340 20 30 FCEDHN Cc1ccc(OCC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)c(C)c1 ZINC000732908634 666910083 /nfs/dbraw/zinc/91/00/83/666910083.db2.gz PGHQLVMFGXMNPR-CQSZACIVSA-N 0 3 364.423 0.648 20 30 FCEDHN N#CC(C(=O)COCCc1ccccc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000732909133 666910757 /nfs/dbraw/zinc/91/07/57/666910757.db2.gz ZEWLSBSZFAQJGM-OAHLLOKOSA-N 0 3 364.423 0.212 20 30 FCEDHN C[C@H](OCc1ccccc1)C(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000732911258 666912308 /nfs/dbraw/zinc/91/23/08/666912308.db2.gz YLYSCDZHMSEZFR-DZGCQCFKSA-N 0 3 364.423 0.558 20 30 FCEDHN COc1ccc(NC(=O)C(C#N)C(=O)CN(C)S(C)(=O)=O)cc1Cl ZINC000916941282 667040847 /nfs/dbraw/zinc/04/08/47/667040847.db2.gz RQUPCUSCTDLPDN-JTQLQIEISA-N 0 3 373.818 0.887 20 30 FCEDHN C[C@H](CC(=O)NC[C@@H](C)[NH+](C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742533107 668036970 /nfs/dbraw/zinc/03/69/70/668036970.db2.gz SAWQIILTUUEMNP-VXGBXAGGSA-N 0 3 352.460 0.570 20 30 FCEDHN CCN1CCN([C@H](C)CNc2cccc(S(N)(=O)=O)c2C#N)CC1 ZINC000784572502 668665087 /nfs/dbraw/zinc/66/50/87/668665087.db2.gz WHLFEWMKRBGKOU-CYBMUJFWSA-N 0 3 351.476 0.644 20 30 FCEDHN C=C(Br)CNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000788246942 668821165 /nfs/dbraw/zinc/82/11/65/668821165.db2.gz TUQBUQCNHWKJRG-LBPRGKRZSA-N 0 3 350.282 0.565 20 30 FCEDHN C=C(Br)CNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000790187033 668872705 /nfs/dbraw/zinc/87/27/05/668872705.db2.gz VZHZYRLZNOJKNA-NSHDSACASA-N 0 3 361.284 0.011 20 30 FCEDHN C#CCN(C)CCCNC(=O)c1ccc(CNS(=O)(=O)CC)cc1 ZINC000818611837 668921474 /nfs/dbraw/zinc/92/14/74/668921474.db2.gz FIFULPKCZXXHNK-UHFFFAOYSA-N 0 3 351.472 0.811 20 30 FCEDHN NS(=O)(=O)c1ccc(N=NC2CCN(CCO)CC2)c([N+](=O)[O-])c1 ZINC000819801077 669030942 /nfs/dbraw/zinc/03/09/42/669030942.db2.gz LWWAOOGOIVNBOV-UHFFFAOYSA-N 0 3 357.392 0.098 20 30 FCEDHN OCCN1CCC(=NNC(=S)NCc2ccc3c(c2)OCO3)CC1 ZINC000819806848 669030958 /nfs/dbraw/zinc/03/09/58/669030958.db2.gz YXHQGEMRPAMBIS-UHFFFAOYSA-N 0 3 350.444 0.824 20 30 FCEDHN CN(C)CCN1c2ccccc2C(=NNCC(C)(C)S(C)(=O)=O)C1=O ZINC000807986383 669530388 /nfs/dbraw/zinc/53/03/88/669530388.db2.gz WUOALZSDKQHRMC-UHFFFAOYSA-N 0 3 366.487 0.712 20 30 FCEDHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@](O)(CC#N)C1 ZINC000828045601 669612184 /nfs/dbraw/zinc/61/21/84/669612184.db2.gz ULVXRMWUUORGHC-MWLCHTKSSA-N 0 3 358.338 0.551 20 30 FCEDHN C[C@@H](CC(=O)NCC1([NH3+])CCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000831550583 669850767 /nfs/dbraw/zinc/85/07/67/669850767.db2.gz YIMSIDZWYHZRAY-NSHDSACASA-N 0 3 350.444 0.501 20 30 FCEDHN CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCC1C[NH2+]C1 ZINC000834401222 669952057 /nfs/dbraw/zinc/95/20/57/669952057.db2.gz XEDMGMFQMQNBII-AWEZNQCLSA-N 0 3 364.471 0.620 20 30 FCEDHN C[C@H](CC(=O)N[C@@H](CC[NH3+])C(F)F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000834829714 669978301 /nfs/dbraw/zinc/97/83/01/669978301.db2.gz DZZJHPWCLBYVDG-KOLCDFICSA-N 0 3 374.413 0.602 20 30 FCEDHN C[NH+](C)C1CCC(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000817483105 670014182 /nfs/dbraw/zinc/01/41/82/670014182.db2.gz DZJJOBNSUXJUQB-UHFFFAOYSA-N 0 3 364.471 0.714 20 30 FCEDHN C#CCN(C)CCCNC(=O)NCCN(C)S(=O)(=O)c1cccs1 ZINC000836370407 670047151 /nfs/dbraw/zinc/04/71/51/670047151.db2.gz NTHJVVHQOSHEKR-UHFFFAOYSA-N 0 3 372.516 0.623 20 30 FCEDHN C[C@@H]1C[C@H](C)N(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C[C@@H]1C[NH3+] ZINC000818022401 670056891 /nfs/dbraw/zinc/05/68/91/670056891.db2.gz WXRDXNPALLXGNR-AGIUHOORSA-N 0 3 364.471 0.557 20 30 FCEDHN O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000843504704 670834075 /nfs/dbraw/zinc/83/40/75/670834075.db2.gz FVUZHHVQMUZEBT-LBPRGKRZSA-N 0 3 362.455 0.516 20 30 FCEDHN C#C[C@@](C)(CC)N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000852102146 671487628 /nfs/dbraw/zinc/48/76/28/671487628.db2.gz VPLSKBZHXJXZQS-GUYCJALGSA-N 0 3 351.472 0.773 20 30 FCEDHN 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C=CCCCN1C[C@@H](NC(=O)c2ccc(=O)n(CC)n2)[C@@H](n2ccnn2)C1 ZINC001129327645 1198259313 /nfs/dbraw/zinc/25/93/13/1198259313.db2.gz XIFGCEXOWYOLSO-CVEARBPZSA-N 0 3 371.445 0.476 20 30 FCEDHN N#CC(C(=O)[C@H]1C[C@]12CCc1ccccc12)C(=O)N1CCS(=O)(=O)CC1 ZINC000744131076 1198306080 /nfs/dbraw/zinc/30/60/80/1198306080.db2.gz RYYVRLZNUYFIFT-OGWOLHLISA-N 0 3 372.446 0.856 20 30 FCEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](n2ccnn2)C1 ZINC001129347878 1199094396 /nfs/dbraw/zinc/09/43/96/1199094396.db2.gz HSGANKGUUUNRPX-WQVCFCJDSA-N 0 3 371.445 0.715 20 30 FCEDHN CCN(CC)C[C@@H](F)C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1O ZINC001219732461 1224583437 /nfs/dbraw/zinc/58/34/37/1224583437.db2.gz UWVGVGCFAAPSNU-QRVBRYPASA-N 0 3 361.461 0.879 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)CC(=O)NCC2CC2)[C@@H](n2ccnn2)C1 ZINC001129382225 1200060805 /nfs/dbraw/zinc/06/08/05/1200060805.db2.gz YGIBHBQMINIAFF-CVEARBPZSA-N 0 3 360.462 0.502 20 30 FCEDHN C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(CO)cc1 ZINC001109171164 1200079392 /nfs/dbraw/zinc/07/93/92/1200079392.db2.gz GVPXJNFDMXHZEU-SQNIBIBYSA-N 0 3 355.438 0.540 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)CCC(=O)NCCC)[C@@H](n2ccnn2)C1 ZINC001129390902 1200190471 /nfs/dbraw/zinc/19/04/71/1200190471.db2.gz ZOGFNOWOHUCUHV-CVEARBPZSA-N 0 3 362.478 0.892 20 30 FCEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCN1C(=O)CCC1=O)C2 ZINC001109373527 1200222103 /nfs/dbraw/zinc/22/21/03/1200222103.db2.gz HMOMTVDBEDXQOB-PMPSAXMXSA-N 0 3 363.458 0.840 20 30 FCEDHN C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3nn[n-]c3n1)C2 ZINC001109377514 1200230432 /nfs/dbraw/zinc/23/04/32/1200230432.db2.gz QZCXCSFGYHYULE-FIXIBIHLSA-N 0 3 369.429 0.379 20 30 FCEDHN C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3nn[n-]c3n1)C2 ZINC001109377514 1200230434 /nfs/dbraw/zinc/23/04/34/1200230434.db2.gz QZCXCSFGYHYULE-FIXIBIHLSA-N 0 3 369.429 0.379 20 30 FCEDHN CCN(CCO)CCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000769518538 1200321150 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C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001086598286 1201142405 /nfs/dbraw/zinc/14/24/05/1201142405.db2.gz ZBHIBQQPFGAQNL-DLBZAZTESA-N 0 3 366.421 0.556 20 30 FCEDHN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000792100451 1201173239 /nfs/dbraw/zinc/17/32/39/1201173239.db2.gz NKWUEFSDIPOOQS-GUYCJALGSA-N 0 3 365.393 0.933 20 30 FCEDHN CCCCCCCN1C[C@@H](NC(=O)Cn2cncn2)[C@@H](n2ccnn2)C1 ZINC001129417672 1201302204 /nfs/dbraw/zinc/30/22/04/1201302204.db2.gz JHYHYGYEXMJTDH-CVEARBPZSA-N 0 3 360.466 0.882 20 30 FCEDHN C=CCCOCC(=O)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129476296 1201321506 /nfs/dbraw/zinc/32/15/06/1201321506.db2.gz BLWGLODDFQPHMZ-BBWFWOEESA-N 0 3 363.462 0.781 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2ccc(C)n2C)C[C@@H]1n1ccnn1 ZINC001129573632 1201349598 /nfs/dbraw/zinc/34/95/98/1201349598.db2.gz RFFGBRPRIFWMSI-WBVHZDCISA-N 0 3 358.446 0.783 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)CC[C@@H]2CCCO2)C[C@@H]1n1ccnn1 ZINC001129603649 1201353077 /nfs/dbraw/zinc/35/30/77/1201353077.db2.gz DDVKGWBQRJJYOT-BBWFWOEESA-N 0 3 363.462 0.781 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@@H]1n1ccnn1 ZINC001129723139 1201378419 /nfs/dbraw/zinc/37/84/19/1201378419.db2.gz AQJATIGIGQRVTE-CABCVRRESA-N 0 3 358.402 0.237 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)/C=C\c2ccc[nH]2)C[C@@H]1n1ccnn1 ZINC001129789291 1201388717 /nfs/dbraw/zinc/38/87/17/1201388717.db2.gz WCRHKRRHCKGDFM-DJAVDHGHSA-N 0 3 356.430 0.864 20 30 FCEDHN C#CCCCC(=O)N1C[C@@H](NCCc2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001129833934 1201408822 /nfs/dbraw/zinc/40/88/22/1201408822.db2.gz JLZIQXQWDFRFBP-SJORKVTESA-N 0 3 355.446 0.399 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CNC(=O)c2ccoc2C)C[C@@H]1n1ccnn1 ZINC001129876348 1201419375 /nfs/dbraw/zinc/41/93/75/1201419375.db2.gz MQTCHTDPJYIGFS-CABCVRRESA-N 0 3 358.402 0.137 20 30 FCEDHN C=CC(C)(C)CC(=O)N1C[C@@H](NCCOCCOC)[C@@H](n2ccnn2)C1 ZINC001129876565 1201420136 /nfs/dbraw/zinc/42/01/36/1201420136.db2.gz SJKNUWUVEOMDPJ-CVEARBPZSA-N 0 3 365.478 0.885 20 30 FCEDHN C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1n1ccnn1 ZINC001129904249 1201420261 /nfs/dbraw/zinc/42/02/61/1201420261.db2.gz CNJCTIBZRYNTLD-YUELXQCFSA-N 0 3 357.418 0.784 20 30 FCEDHN C=CCn1cccc1C(=O)N1C[C@@H](NCCOCC)[C@@H](n2ccnn2)C1 ZINC001129894473 1201428877 /nfs/dbraw/zinc/42/88/77/1201428877.db2.gz HNFMASOBYIMEAP-WBVHZDCISA-N 0 3 358.446 0.957 20 30 FCEDHN C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C[C@@H]1n1ccnn1 ZINC001129902334 1201434136 /nfs/dbraw/zinc/43/41/36/1201434136.db2.gz FSACHWSLHVIBSF-CABCVRRESA-N 0 3 369.429 0.883 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2ccnnc2C)C[C@@H]1n1ccnn1 ZINC001129923455 1201443066 /nfs/dbraw/zinc/44/30/66/1201443066.db2.gz CZQPLBJEJASLHH-CVEARBPZSA-N 0 3 357.418 0.234 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)CN(C)CCc2ccccc2)C[C@@H]1n1ccnn1 ZINC001130014191 1201471915 /nfs/dbraw/zinc/47/19/15/1201471915.db2.gz DTPYMKHMFWVAME-MOPGFXCFSA-N 0 3 366.469 0.427 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@@H]1n1ccnn1 ZINC001130014568 1201472116 /nfs/dbraw/zinc/47/21/16/1201472116.db2.gz TWBBCCXUZYYXFF-MTSZKFMLSA-N 0 3 361.446 0.390 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)Cc2cccnc2C)C[C@@H]1n1ccnn1 ZINC001130005897 1201475534 /nfs/dbraw/zinc/47/55/34/1201475534.db2.gz KVMGDRQNNNFXGP-MSOLQXFVSA-N 0 3 370.457 0.768 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CCCC(=O)N(CC)CC)C[C@@H]1n1ccnn1 ZINC001130040798 1201478135 /nfs/dbraw/zinc/47/81/35/1201478135.db2.gz LXESSMOYZBXGIH-CVEARBPZSA-N 0 3 362.478 0.844 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)C2(C)CCOCC2)C[C@@H]1n1ccnn1 ZINC001130040839 1201478539 /nfs/dbraw/zinc/47/85/39/1201478539.db2.gz OQNOWWAGCDVJLU-CVEARBPZSA-N 0 3 363.462 0.639 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2ccn(CC)n2)C[C@@H]1n1ccnn1 ZINC001130028257 1201480046 /nfs/dbraw/zinc/48/00/46/1201480046.db2.gz MYJOXCDJOXCKCY-CVEARBPZSA-N 0 3 359.434 0.352 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2cncnc2CC)C[C@@H]1n1ccnn1 ZINC001130125507 1201506332 /nfs/dbraw/zinc/50/63/32/1201506332.db2.gz QXEYMIBHCIJOIG-SJORKVTESA-N 0 3 371.445 0.488 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C(C)(C)NC(=O)NCCC)C[C@@H]1n1ccnn1 ZINC001130140040 1201516150 /nfs/dbraw/zinc/51/61/50/1201516150.db2.gz OQVDFFJPXIYZGW-KGLIPLIRSA-N 0 3 363.466 0.293 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccncc2)[n-]1 ZINC001130181579 1201524896 /nfs/dbraw/zinc/52/48/96/1201524896.db2.gz LSILVXYEPSEFQX-GJZGRUSLSA-N 0 3 354.414 0.615 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C)nc2)[n-]1 ZINC001130187197 1201528051 /nfs/dbraw/zinc/52/80/51/1201528051.db2.gz WFSIEPRTDUMYHX-GJZGRUSLSA-N 0 3 354.414 0.533 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnn(CC)c2)[n-]1 ZINC001130195777 1201532093 /nfs/dbraw/zinc/53/20/93/1201532093.db2.gz BXQKWARONJKCLS-GJZGRUSLSA-N 0 3 371.445 0.437 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)n2cccn2)[n-]1 ZINC001130184878 1201538317 /nfs/dbraw/zinc/53/83/17/1201538317.db2.gz LFOYZJKDCSPLFL-ILXRZTDVSA-N 0 3 371.445 0.364 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](OC)C2CC2)[n-]1 ZINC001130210133 1201543716 /nfs/dbraw/zinc/54/37/16/1201543716.db2.gz XZDORXRRCSAGRU-OFQRWUPVSA-N 0 3 361.446 0.331 20 30 FCEDHN C=C[C@](C)(O)CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#CC)[n-]1 ZINC001130209969 1201543950 /nfs/dbraw/zinc/54/39/50/1201543950.db2.gz SHDGYJVSZOGYFF-DEYYWGMASA-N 0 3 361.446 0.233 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCC(F)(F)C2)[n-]1 ZINC001130215986 1201547108 /nfs/dbraw/zinc/54/71/08/1201547108.db2.gz LJJJMHWVSVTOJE-AVGNSLFASA-N 0 3 367.400 0.952 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)OCC(C)C)[n-]1 ZINC001130200345 1201548173 /nfs/dbraw/zinc/54/81/73/1201548173.db2.gz IVCACRVSVVUEHN-ILXRZTDVSA-N 0 3 363.462 0.577 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2cccnc2)[n-]1 ZINC001130200568 1201548611 /nfs/dbraw/zinc/54/86/11/1201548611.db2.gz QNIMTFGBWYCFSU-GJZGRUSLSA-N 0 3 354.414 0.154 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(OC)nc2)[n-]1 ZINC001130223472 1201553115 /nfs/dbraw/zinc/55/31/15/1201553115.db2.gz WAGURTNFTVQRLH-KBPBESRZSA-N 0 3 370.413 0.234 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cn(C(C)C)cn2)[n-]1 ZINC001130224980 1201554238 /nfs/dbraw/zinc/55/42/38/1201554238.db2.gz LJJRVGQQXULRDT-ZFWWWQNUSA-N 0 3 371.445 0.607 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cn(CC)cn2)[n-]1 ZINC001130246409 1201566123 /nfs/dbraw/zinc/56/61/23/1201566123.db2.gz KDXUYIDYWMSUFH-JSGCOSHPSA-N 0 3 357.418 0.046 20 30 FCEDHN C=C[C@H](O)CN1CCC2(CC1)C(=O)N([C@@H](C)C(C)=O)C[C@H]2C(=O)OCC ZINC001276809140 1224684961 /nfs/dbraw/zinc/68/49/61/1224684961.db2.gz AHKWYYWTAQMTLM-BPUTZDHNSA-N 0 3 366.458 0.615 20 30 FCEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2ccccc2OCC(N)=O)[C@@H](O)C1 ZINC001219973417 1224708533 /nfs/dbraw/zinc/70/85/33/1224708533.db2.gz BSLYNHMHTUFWDD-BMFZPTHFSA-N 0 3 361.442 0.680 20 30 FCEDHN C=CCOCCN1C[C@@H](NC(=O)c2ccn(-c3ccncc3)n2)[C@@H](O)C1 ZINC001219987757 1224716356 /nfs/dbraw/zinc/71/63/56/1224716356.db2.gz ZGAJJKOWGJTCPZ-SJORKVTESA-N 0 3 357.414 0.245 20 30 FCEDHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCCNc1ccc(C#N)cn1 ZINC000806254813 1202719878 /nfs/dbraw/zinc/71/98/78/1202719878.db2.gz ULQSNHAQYZIQRJ-MRXNPFEDSA-N 0 3 372.473 0.862 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCc2cnn(C)c2)C1 ZINC001130593073 1202726743 /nfs/dbraw/zinc/72/67/43/1202726743.db2.gz OANHJNFYLCWEEX-UWWQBHOKSA-N 0 3 370.457 0.276 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CCCNC(=O)C2CC2)C[C@H]1c1cn(C)cn1 ZINC001130605016 1202733338 /nfs/dbraw/zinc/73/33/38/1202733338.db2.gz VAMILHJVYHGJQJ-DOTOQJQBSA-N 0 3 359.474 0.797 20 30 FCEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2cncc(-n3ccnn3)c2)[C@@H](O)C1 ZINC001220070493 1224744048 /nfs/dbraw/zinc/74/40/48/1224744048.db2.gz RWPXGQBGHINUMX-XYPHTWIQSA-N 0 3 356.430 0.792 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CN(CC)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130731798 1202772185 /nfs/dbraw/zinc/77/21/85/1202772185.db2.gz PPWQDVBHCBOBQS-JQHSSLGASA-N 0 3 359.474 0.048 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc[n+]([O-])cc3)n[n-]2)O1 ZINC001130753200 1202776747 /nfs/dbraw/zinc/77/67/47/1202776747.db2.gz WKVRJJAPDXZCER-LSDHHAIUSA-N 0 3 370.413 0.201 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cc[n+]([O-])cc3)n2)O1 ZINC001130753200 1202776749 /nfs/dbraw/zinc/77/67/49/1202776749.db2.gz WKVRJJAPDXZCER-LSDHHAIUSA-N 0 3 370.413 0.201 20 30 FCEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)[C@@H](O)C1 ZINC001220072299 1224745041 /nfs/dbraw/zinc/74/50/41/1224745041.db2.gz PCXRTAUNMLZCAQ-BJJXKVORSA-N 0 3 359.430 0.461 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc[nH]c(=O)c3)n[n-]2)O1 ZINC001130775427 1202783915 /nfs/dbraw/zinc/78/39/15/1202783915.db2.gz VUVUIKSYEMYOGD-UONOGXRCSA-N 0 3 370.413 0.668 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cc[nH]c(=O)c3)n2)O1 ZINC001130775427 1202783916 /nfs/dbraw/zinc/78/39/16/1202783916.db2.gz VUVUIKSYEMYOGD-UONOGXRCSA-N 0 3 370.413 0.668 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnnc(C)c3)n[n-]2)O1 ZINC001130776579 1202790071 /nfs/dbraw/zinc/79/00/71/1202790071.db2.gz GWFDOVDTBOXDNZ-UONOGXRCSA-N 0 3 355.402 0.276 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cnnc(C)c3)n2)O1 ZINC001130776579 1202790073 /nfs/dbraw/zinc/79/00/73/1202790073.db2.gz GWFDOVDTBOXDNZ-UONOGXRCSA-N 0 3 355.402 0.276 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)n3cccc3)n[n-]2)O1 ZINC001130776360 1202790303 /nfs/dbraw/zinc/79/03/03/1202790303.db2.gz AMMOLYPHKAOOHG-QLFBSQMISA-N 0 3 356.430 0.927 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@@H](C)n3cccc3)n2)O1 ZINC001130776360 1202790307 /nfs/dbraw/zinc/79/03/07/1202790307.db2.gz AMMOLYPHKAOOHG-QLFBSQMISA-N 0 3 356.430 0.927 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3ccon3)n[n-]2)O1 ZINC001130777171 1202790651 /nfs/dbraw/zinc/79/06/51/1202790651.db2.gz VBYPIUHLLUMBLV-UONOGXRCSA-N 0 3 358.402 0.485 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)Cc3ccon3)n2)O1 ZINC001130777171 1202790654 /nfs/dbraw/zinc/79/06/54/1202790654.db2.gz VBYPIUHLLUMBLV-UONOGXRCSA-N 0 3 358.402 0.485 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3n[nH]cc3C)n[n-]2)O1 ZINC001130782931 1202793930 /nfs/dbraw/zinc/79/39/30/1202793930.db2.gz GMBXOBXQXKTOPK-QWHCGFSZSA-N 0 3 357.418 0.599 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3ccn(CC)n3)n[n-]2)O1 ZINC001130783210 1202794368 /nfs/dbraw/zinc/79/43/68/1202794368.db2.gz QICVIOJQXFHQMS-LSDHHAIUSA-N 0 3 371.445 0.323 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)Cc3ccn(CC)n3)n2)O1 ZINC001130783210 1202794370 /nfs/dbraw/zinc/79/43/70/1202794370.db2.gz QICVIOJQXFHQMS-LSDHHAIUSA-N 0 3 371.445 0.323 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3nccc(C)n3)n[n-]2)O1 ZINC001130783154 1202794565 /nfs/dbraw/zinc/79/45/65/1202794565.db2.gz MSKORXOFERCSLO-QWHCGFSZSA-N 0 3 355.402 0.276 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3nccc(C)n3)n2)O1 ZINC001130783154 1202794569 /nfs/dbraw/zinc/79/45/69/1202794569.db2.gz MSKORXOFERCSLO-QWHCGFSZSA-N 0 3 355.402 0.276 20 30 FCEDHN CC[C@H](F)C(=O)NCc1n[n-]c([C@H]2CC[C@@H](C[NH2+]CC#CCOC)O2)n1 ZINC001130799283 1202802853 /nfs/dbraw/zinc/80/28/53/1202802853.db2.gz AHDXPDAHEQOCNG-MELADBBJSA-N 0 3 367.425 0.629 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cn3nccc3C)n[n-]2)O1 ZINC001130811819 1202804965 /nfs/dbraw/zinc/80/49/65/1202804965.db2.gz LRFOJHNJKDVTOI-LSDHHAIUSA-N 0 3 371.445 0.459 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)Cn3nccc3C)n2)O1 ZINC001130811819 1202804966 /nfs/dbraw/zinc/80/49/66/1202804966.db2.gz LRFOJHNJKDVTOI-LSDHHAIUSA-N 0 3 371.445 0.459 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ncccc3OC)n[n-]2)O1 ZINC001130817582 1202808539 /nfs/dbraw/zinc/80/85/39/1202808539.db2.gz UMONESSYYBAPJR-GXTWGEPZSA-N 0 3 370.413 0.581 20 30 FCEDHN 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368.388 0.477 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnn2ccncc12 ZINC001226808615 1225854490 /nfs/dbraw/zinc/85/44/90/1225854490.db2.gz PJDAROOQEAWLAJ-HUUCEWRRSA-N 0 3 356.430 0.662 20 30 FCEDHN O=C(CN1CCOCC1=O)N[C@@H]1CCCC[C@H]1NCC#Cc1ccccc1 ZINC001226807766 1225854798 /nfs/dbraw/zinc/85/47/98/1225854798.db2.gz BTDSQIOROQWYPB-RTBURBONSA-N 0 3 369.465 0.914 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc2cccn2cn1 ZINC001227005333 1225860683 /nfs/dbraw/zinc/86/06/83/1225860683.db2.gz NXGNLMOLFVNIFM-HZPDHXFCSA-N 0 3 353.426 0.714 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)COCc1cc(C)no1 ZINC001227019016 1225860900 /nfs/dbraw/zinc/86/09/00/1225860900.db2.gz BMEJOCBBMHTCGC-HZPDHXFCSA-N 0 3 362.430 0.266 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnc2n1CCCCC2 ZINC001227019572 1225861439 /nfs/dbraw/zinc/86/14/39/1225861439.db2.gz SCNDXFPPUHBOIW-HZPDHXFCSA-N 0 3 371.485 0.990 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cncc(OC)c1C ZINC001227047167 1225861761 /nfs/dbraw/zinc/86/17/61/1225861761.db2.gz AWEWDXKEWZSZRY-HZPDHXFCSA-N 0 3 358.442 0.779 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)ncn2C ZINC001227166215 1225865501 /nfs/dbraw/zinc/86/55/01/1225865501.db2.gz VAEUODNAAXMASW-HZPDHXFCSA-N 0 3 367.453 0.953 20 30 FCEDHN C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001055595382 1219094563 /nfs/dbraw/zinc/09/45/63/1219094563.db2.gz UBWPQESJEYGIOO-NWANDNLSSA-N 0 3 358.446 0.370 20 30 FCEDHN C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001055595382 1219094564 /nfs/dbraw/zinc/09/45/64/1219094564.db2.gz UBWPQESJEYGIOO-NWANDNLSSA-N 0 3 358.446 0.370 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc(N(C)C)nc1 ZINC001227233665 1225867381 /nfs/dbraw/zinc/86/73/81/1225867381.db2.gz ZMKYEWDKZDXSNH-HZPDHXFCSA-N 0 3 357.458 0.528 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000804047707 1219101125 /nfs/dbraw/zinc/10/11/25/1219101125.db2.gz FBFXXFOEKQNACS-CYBMUJFWSA-N 0 3 368.478 0.782 20 30 FCEDHN CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804061846 1219117067 /nfs/dbraw/zinc/11/70/67/1219117067.db2.gz WWJRCEGXYSODNV-IRXDYDNUSA-N 0 3 356.426 0.496 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnn2c1OCCC2 ZINC001227282353 1225869733 /nfs/dbraw/zinc/86/97/33/1225869733.db2.gz XWKNLMCMFUAUKJ-HUUCEWRRSA-N 0 3 361.446 0.598 20 30 FCEDHN C=CCN1C[C@@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)[C@@H](n2ccnn2)C1 ZINC001070069262 1219133711 /nfs/dbraw/zinc/13/37/11/1219133711.db2.gz VORXYKHVAPYHIV-CVEARBPZSA-N 0 3 364.413 0.905 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H]2CCCC(=O)N2C)[C@@H](n2ccnn2)C1 ZINC001070086896 1219157133 /nfs/dbraw/zinc/15/71/33/1219157133.db2.gz SOFQHFXIBRZPKR-PMPSAXMXSA-N 0 3 360.462 0.597 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)COC ZINC001227499670 1225877347 /nfs/dbraw/zinc/87/73/47/1225877347.db2.gz LJXAONAWRHYILB-ZIAGYGMSSA-N 0 3 368.478 0.688 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnc2nccn2c1 ZINC001227483301 1225876701 /nfs/dbraw/zinc/87/67/01/1225876701.db2.gz LQQXFPBMYCAAPT-HUUCEWRRSA-N 0 3 354.414 0.109 20 30 FCEDHN Cn1nccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N ZINC001227655267 1225881084 /nfs/dbraw/zinc/88/10/84/1225881084.db2.gz IPUWPQSXYKOTJB-KBUPBQIOSA-N 0 3 358.446 0.180 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(=O)CC)C[C@@H]1n1ccnn1 ZINC001070200516 1219289033 /nfs/dbraw/zinc/28/90/33/1219289033.db2.gz SNKOXOIABZIUFA-PMPSAXMXSA-N 0 3 360.462 0.597 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cc(-c3ccn(C)n3)on2)C[C@@H]1n1ccnn1 ZINC001070202992 1219291203 /nfs/dbraw/zinc/29/12/03/1219291203.db2.gz YPDDNHQJMOWRLU-CABCVRRESA-N 0 3 368.401 0.508 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1(C2CC2)CCOCC1 ZINC001227703413 1225882113 /nfs/dbraw/zinc/88/21/13/1225882113.db2.gz HQJAWVTUQNYBET-IAGOWNOFSA-N 0 3 361.486 0.960 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ncn2)C[C@@H]1n1ccnn1 ZINC001070231716 1219309172 /nfs/dbraw/zinc/30/91/72/1219309172.db2.gz ICCSQOPIFGLZAV-NEPJUHHUSA-N 0 3 367.335 0.928 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cnc3cc(OC)ccn32)C[C@@H]1n1ccnn1 ZINC001070233198 1219309929 /nfs/dbraw/zinc/30/99/29/1219309929.db2.gz DWEQBPBOOFYGNE-ZBFHGGJFSA-N 0 3 367.413 0.776 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001070242565 1219313532 /nfs/dbraw/zinc/31/35/32/1219313532.db2.gz IDPSWNSDHFYEKO-YUELXQCFSA-N 0 3 357.418 0.346 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCc3cnc(C)n3C2)C[C@@H]1n1ccnn1 ZINC001070260440 1219330384 /nfs/dbraw/zinc/33/03/84/1219330384.db2.gz JPUUUQZEILUXNC-OIISXLGYSA-N 0 3 353.430 0.020 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2CCc3cnc(C)n3C2)C[C@@H]1n1ccnn1 ZINC001070260794 1219330899 /nfs/dbraw/zinc/33/08/99/1219330899.db2.gz RSPQKBYIFGBSQX-OIISXLGYSA-N 0 3 355.446 0.573 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cn2cc3ccccc3n2)C[C@@H]1n1ccnn1 ZINC001070312473 1219369327 /nfs/dbraw/zinc/36/93/27/1219369327.db2.gz TVESFGFPWJUAPW-SJORKVTESA-N 0 3 351.414 0.856 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc(CNC(N)=O)cc2)C[C@@H]1n1ccnn1 ZINC001070324602 1219376226 /nfs/dbraw/zinc/37/62/26/1219376226.db2.gz VIYMZRLOVCUFAU-CVEARBPZSA-N 0 3 369.429 0.288 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc(NC(=O)NC)cc2)C[C@@H]1n1ccnn1 ZINC001070335900 1219384740 /nfs/dbraw/zinc/38/47/40/1219384740.db2.gz IGYBFURSNGUKGP-CVEARBPZSA-N 0 3 369.429 0.871 20 30 FCEDHN C#CC[N@H+]1C[C@@H](c2nnc(CNC(=O)[C@H]3OCC[C@H]3C)[n-]2)[C@H](C2CC2)C1 ZINC001070352358 1219389854 /nfs/dbraw/zinc/38/98/54/1219389854.db2.gz SAGUMVBZFGQJRY-JWDQPFGJSA-N 0 3 357.458 0.905 20 30 FCEDHN C#CC[N@@H+]1C[C@@H](c2nnc(CNC(=O)[C@H]3OCC[C@H]3C)[n-]2)[C@H](C2CC2)C1 ZINC001070352358 1219389857 /nfs/dbraw/zinc/38/98/57/1219389857.db2.gz SAGUMVBZFGQJRY-JWDQPFGJSA-N 0 3 357.458 0.905 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cc2cnoc2)CC1 ZINC001070377070 1219404344 /nfs/dbraw/zinc/40/43/44/1219404344.db2.gz DBKWPZACFVXWNZ-APWZRJJASA-N 0 3 358.442 0.716 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)n1ccc(C)n1 ZINC001227908108 1225890300 /nfs/dbraw/zinc/89/03/00/1225890300.db2.gz QMXOKJJMSMZMHL-GVDBMIGSSA-N 0 3 359.474 0.909 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)Cc2cn3c(n2)CCCC3)C[C@H]1c1cn(C)cn1 ZINC001070494648 1219438018 /nfs/dbraw/zinc/43/80/18/1219438018.db2.gz AWCJAJODVOYFPB-FUHWJXTLSA-N 0 3 366.469 0.713 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cn2ncc3cccnc32)C[C@H]1c1cn(C)cn1 ZINC001070513284 1219447681 /nfs/dbraw/zinc/44/76/81/1219447681.db2.gz FFSKLYSWRKHURZ-DOTOQJQBSA-N 0 3 365.441 0.935 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H](OC)c2cnn(C)c2)C[C@H]1c1cn(C)cn1 ZINC001070516242 1219448788 /nfs/dbraw/zinc/44/87/88/1219448788.db2.gz AUTVOTDCIHNUSA-USXIJHARSA-N 0 3 358.446 0.611 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cnn3cccnc23)C[C@H]1c1cn(C)cn1 ZINC001070520886 1219450688 /nfs/dbraw/zinc/45/06/88/1219450688.db2.gz LZIAKJKYBPHAIP-GOEBONIOSA-N 0 3 351.414 0.847 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001070525927 1219453769 /nfs/dbraw/zinc/45/37/69/1219453769.db2.gz HOUWRPZWBDTQEA-UAGQMJEPSA-N 0 3 359.474 0.890 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070551904 1219465948 /nfs/dbraw/zinc/46/59/48/1219465948.db2.gz RSMDRMUYUZBNAO-YQQAZPJKSA-N 0 3 359.474 0.749 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2nc3nccc(C)n3n2)C[C@H]1c1cn(C)cn1 ZINC001070558594 1219468999 /nfs/dbraw/zinc/46/89/99/1219468999.db2.gz HEYRUIZJDWEQIG-DZGCQCFKSA-N 0 3 366.429 0.550 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCc1nc([C@@H]2COCCN2CCOC)n[nH]1 ZINC001070589641 1219480118 /nfs/dbraw/zinc/48/01/18/1219480118.db2.gz IETCAQCQYVMDEA-RDBSUJKOSA-N 0 3 365.434 0.032 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCc1n[nH]c([C@@H]2COCCN2CCOC)n1 ZINC001070589641 1219480121 /nfs/dbraw/zinc/48/01/21/1219480121.db2.gz IETCAQCQYVMDEA-RDBSUJKOSA-N 0 3 365.434 0.032 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCc1nnc([C@@H]2COCCN2CCOC)[nH]1 ZINC001070589641 1219480123 /nfs/dbraw/zinc/48/01/23/1219480123.db2.gz IETCAQCQYVMDEA-RDBSUJKOSA-N 0 3 365.434 0.032 20 30 FCEDHN Cc1nn(C)cc1CN[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1c1cncn1C ZINC001070630320 1219495284 /nfs/dbraw/zinc/49/52/84/1219495284.db2.gz LRLGIDMFOGUPTP-APHBMKBZSA-N 0 3 355.446 0.706 20 30 FCEDHN Cc1nn(C)cc1CN[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1c1cncn1C ZINC001070630321 1219496148 /nfs/dbraw/zinc/49/61/48/1219496148.db2.gz LRLGIDMFOGUPTP-DAXOMENPSA-N 0 3 355.446 0.706 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cc(C3CC3)nn2C)C[C@H]1c1cncn1C ZINC001070653404 1219508992 /nfs/dbraw/zinc/50/89/92/1219508992.db2.gz PEMSSQZOULQESW-GDBMZVCRSA-N 0 3 352.442 0.862 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cnc3nccnc3c2)C[C@H]1c1cncn1C ZINC001070656464 1219510624 /nfs/dbraw/zinc/51/06/24/1219510624.db2.gz HZEFCKNFUCLRKE-GDBMZVCRSA-N 0 3 361.409 0.589 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3O2)C[C@H]1c1cncn1C ZINC001070665639 1219516171 /nfs/dbraw/zinc/51/61/71/1219516171.db2.gz KWMYHQMYENAQPW-GPMSIDNRSA-N 0 3 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ZINC001215286193 1223989354 /nfs/dbraw/zinc/98/93/54/1223989354.db2.gz UOJHUFRDGANMMD-MLGOLLRUSA-N 0 3 368.441 0.146 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(=O)NCC)C2)cc1 ZINC001215290131 1223989924 /nfs/dbraw/zinc/98/99/24/1223989924.db2.gz JPCDKWVGXOZMBE-CKEIUWERSA-N 0 3 370.453 0.952 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cncc(OC(C)C)c2)C[C@H]1C ZINC001215305632 1223991262 /nfs/dbraw/zinc/99/12/62/1223991262.db2.gz OXPOAWBJTMLACQ-RHSMWYFYSA-N 0 3 358.442 0.668 20 30 FCEDHN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)N[C@H](C)COC)C1 ZINC001215322908 1223992889 /nfs/dbraw/zinc/99/28/89/1223992889.db2.gz MHJXKICFMHGLHD-MGPQQGTHSA-N 0 3 368.478 0.496 20 30 FCEDHN C=C[C@@H](CC)CC(=O)N1C[C@@H](C)[C@H](NCc2cc(=O)n(C)c(=O)n2C)C1 ZINC001215371512 1223994703 /nfs/dbraw/zinc/99/47/03/1223994703.db2.gz IYMLOLOHUJOKGH-IJEWVQPXSA-N 0 3 362.474 0.623 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnc3n2CCCC3)C[C@H]1C ZINC001215386958 1223995381 /nfs/dbraw/zinc/99/53/81/1223995381.db2.gz GFKJAFLWFXRBJL-QLFBSQMISA-N 0 3 359.474 0.960 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cc2ccc(OC)cn2)C[C@H]1C ZINC001215395455 1223996608 /nfs/dbraw/zinc/99/66/08/1223996608.db2.gz OIASBXLZBCHTPK-JKIFEVAISA-N 0 3 358.442 0.207 20 30 FCEDHN C[C@@H]1CN(C(=O)[C@@H]2CCCN(CC(F)F)C2)C[C@H]1NCC(=O)NCC#N ZINC001215407517 1223997432 /nfs/dbraw/zinc/99/74/32/1223997432.db2.gz HGKXXVYNTDGGBM-MGPQQGTHSA-N 0 3 371.432 0.040 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ccnc3c2ncn3C)C[C@H]1C ZINC001215516732 1224003420 /nfs/dbraw/zinc/00/34/20/1224003420.db2.gz SRDTTWOEXNHVFA-TZMCWYRMSA-N 0 3 356.430 0.321 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C=C)C[C@H]1C ZINC001215594880 1224008085 /nfs/dbraw/zinc/00/80/85/1224008085.db2.gz ZLPYCFJOUHHTJZ-TUVASFSCSA-N 0 3 364.446 0.026 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)C2(NC(N)=O)CCCCC2)C[C@H]1C ZINC001215770514 1224017049 /nfs/dbraw/zinc/01/70/49/1224017049.db2.gz COIQXFJGMCGECS-ZIAGYGMSSA-N 0 3 365.478 0.096 20 30 FCEDHN CCCCCc1cc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)[nH]n1 ZINC001215888881 1224022182 /nfs/dbraw/zinc/02/21/82/1224022182.db2.gz UBDXWJDIRFZPPF-CZUORRHYSA-N 0 3 360.462 0.832 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(-n3cnnc3)cc2)C[C@H]1C ZINC001215930134 1224025237 /nfs/dbraw/zinc/02/52/37/1224025237.db2.gz QIHDJHOXUCGBFA-RHSMWYFYSA-N 0 3 368.441 0.620 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cccc3c2ccn3C)C[C@H]1C ZINC001215943991 1224026293 /nfs/dbraw/zinc/02/62/93/1224026293.db2.gz AYNRASZZRJLLSO-RHSMWYFYSA-N 0 3 352.438 0.978 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2cccnc2C)C[C@H]1C ZINC001215985834 1224028482 /nfs/dbraw/zinc/02/84/82/1224028482.db2.gz QYSBDPPTDBFKMC-IUODEOHRSA-N 0 3 359.430 0.452 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ccnc(NC(C)=O)c2)C[C@H]1C ZINC001215997037 1224028866 /nfs/dbraw/zinc/02/88/66/1224028866.db2.gz CDCVDCUIFQGOBZ-IUODEOHRSA-N 0 3 359.430 0.392 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C(C)(C)c2cnn(C)c2)C[C@H]1C ZINC001216133317 1224036002 /nfs/dbraw/zinc/03/60/02/1224036002.db2.gz YBHULEKAVRXZJL-IJEWVQPXSA-N 0 3 361.490 0.825 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C(C)(C)CCOC)C[C@H]1C ZINC001216161194 1224037527 /nfs/dbraw/zinc/03/75/27/1224037527.db2.gz FNCSNUXCTLKURJ-ZIAGYGMSSA-N 0 3 368.478 0.497 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2oncc2C)C[C@H]1C ZINC001216185495 1224037893 /nfs/dbraw/zinc/03/78/93/1224037893.db2.gz VGHFIJCRMDVNBV-FRRDWIJNSA-N 0 3 363.418 0.433 20 30 FCEDHN CCCn1nc(C)c(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)c1C ZINC001216271591 1224041338 /nfs/dbraw/zinc/04/13/38/1224041338.db2.gz VZTADPZSJGCLSZ-IUODEOHRSA-N 0 3 360.462 0.600 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cnn(CCCOC)c2)C[C@H]1C ZINC001216280388 1224041695 /nfs/dbraw/zinc/04/16/95/1224041695.db2.gz WVXVTYPXYTUSMD-GDBMZVCRSA-N 0 3 363.462 0.272 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccc3nccn3c2)C[C@H]1C ZINC001216336083 1224045360 /nfs/dbraw/zinc/04/53/60/1224045360.db2.gz WDSIXWKKDFTWGT-IJEWVQPXSA-N 0 3 353.426 0.522 20 30 FCEDHN CO[C@@](C)(C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1)c1ccccc1 ZINC001216424438 1224049628 /nfs/dbraw/zinc/04/96/28/1224049628.db2.gz ADRVRIBQDIDDIZ-IDHHARJASA-N 0 3 358.442 0.624 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cccc(C(=O)N(C)C)c2)C[C@H]1C ZINC001216425575 1224050012 /nfs/dbraw/zinc/05/00/12/1224050012.db2.gz WKYYJBLGGVYPHX-RHSMWYFYSA-N 0 3 370.453 0.188 20 30 FCEDHN CCn1nc(C)c(CC(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)c1C ZINC001216432236 1224050640 /nfs/dbraw/zinc/05/06/40/1224050640.db2.gz SGFWTUHKJNPSEU-MLGOLLRUSA-N 0 3 360.462 0.139 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)Cc2c(C)nn(CC)c2C)C[C@H]1C ZINC001216431824 1224050837 /nfs/dbraw/zinc/05/08/37/1224050837.db2.gz LEBFSJVYTRROKV-CXAGYDPISA-N 0 3 361.490 0.801 20 30 FCEDHN C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)CCCC(=O)N(C)C)C[C@H]2C)C1=O ZINC001216435871 1224050914 /nfs/dbraw/zinc/05/09/14/1224050914.db2.gz OULLHQAMTCBMIT-BZUAXINKSA-N 0 3 364.490 0.468 20 30 FCEDHN C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CC2)C1 ZINC001216438788 1224051110 /nfs/dbraw/zinc/05/11/10/1224051110.db2.gz BRHDKHLFCHYMLB-CZUORRHYSA-N 0 3 356.426 0.422 20 30 FCEDHN C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC2CC2)C1 ZINC001216438945 1224051113 /nfs/dbraw/zinc/05/11/13/1224051113.db2.gz GHYLSHFAGMZMPB-JKIFEVAISA-N 0 3 370.453 0.811 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC3CCOCC3)C2)cn1 ZINC001216447815 1224051523 /nfs/dbraw/zinc/05/15/23/1224051523.db2.gz BPTDNKZZRVYWRB-RDTXWAMCSA-N 0 3 370.453 0.408 20 30 FCEDHN CC(=O)Nc1ccc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)cc1 ZINC001216531202 1224054902 /nfs/dbraw/zinc/05/49/02/1224054902.db2.gz WQMQJIYKLUOQGX-MLGOLLRUSA-N 0 3 357.414 0.335 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(COC)c(F)c2)C[C@H]1C ZINC001216561890 1224055681 /nfs/dbraw/zinc/05/56/81/1224055681.db2.gz ZKXVGWZYCHTLLX-CXAGYDPISA-N 0 3 361.417 0.772 20 30 FCEDHN C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCCOCC)C1 ZINC001216561422 1224055837 /nfs/dbraw/zinc/05/58/37/1224055837.db2.gz VJHBGFFMINYGTQ-VQIMIIECSA-N 0 3 371.481 0.800 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnn(CCOC)c2)C[C@H]1C ZINC001216602940 1224058509 /nfs/dbraw/zinc/05/85/09/1224058509.db2.gz VSMHOWIWVRWACL-IJEWVQPXSA-N 0 3 363.462 0.270 20 30 FCEDHN C[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3o2)C[C@H]1NCC(=O)NCC#N ZINC001216640260 1224059774 /nfs/dbraw/zinc/05/97/74/1224059774.db2.gz JHYPTKXRYXBYNH-TZMCWYRMSA-N 0 3 368.393 0.483 20 30 FCEDHN C[C@@H]1CN(C(=O)COc2ccc3c(c2)CCC3)C[C@H]1NCC(=O)NCC#N ZINC001216687289 1224061232 /nfs/dbraw/zinc/06/12/32/1224061232.db2.gz JCNATSMFJDLPHB-RDTXWAMCSA-N 0 3 370.453 0.630 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(F)cc2)C[C@H]1C ZINC001216715609 1224063527 /nfs/dbraw/zinc/06/35/27/1224063527.db2.gz KALMOHHVVFLHNG-CKEIUWERSA-N 0 3 361.417 0.779 20 30 FCEDHN C[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1NCC#Cc1ccccc1 ZINC001216716784 1224064089 /nfs/dbraw/zinc/06/40/89/1224064089.db2.gz IAKCKMVMWDXOOE-NVXWUHKLSA-N 0 3 353.422 0.624 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cn3c(cccc3C)n2)C[C@H]1C ZINC001216721490 1224064594 /nfs/dbraw/zinc/06/45/94/1224064594.db2.gz YKQKVGKJHBXPOJ-FVQBIDKESA-N 0 3 367.453 0.831 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cccc(NC(C)=O)c2)C[C@H]1C ZINC001216741213 1224066683 /nfs/dbraw/zinc/06/66/83/1224066683.db2.gz BAMRUSMTLVEKIH-HBUWYVDXSA-N 0 3 370.453 0.833 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cn(C)nc2C(C)C)C[C@H]1C ZINC001216750271 1224068235 /nfs/dbraw/zinc/06/82/35/1224068235.db2.gz WJKACNJTBCUOQK-IIAWOOMASA-N 0 3 359.474 0.732 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2c(C)nn3cccnc23)C[C@H]1C ZINC001216772952 1224070846 /nfs/dbraw/zinc/07/08/46/1224070846.db2.gz RQKKDWZPQHLSNM-BPLDGKMQSA-N 0 3 368.441 0.226 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](c2ccccc2)N(C)C)C[C@H]1C ZINC001216849987 1224078521 /nfs/dbraw/zinc/07/85/21/1224078521.db2.gz CSTLKLOVSDAUKP-SUMDDJOVSA-N 0 3 356.470 0.475 20 30 FCEDHN C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCc2ccnn2C)C1 ZINC001216846736 1224078531 /nfs/dbraw/zinc/07/85/31/1224078531.db2.gz WNRQUALIUDFMFN-UKRRQHHQSA-N 0 3 362.478 0.620 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)oc3c2)C[C@H]1C ZINC001216850978 1224079307 /nfs/dbraw/zinc/07/93/07/1224079307.db2.gz VKRKWJBIIRLIDQ-BXUZGUMPSA-N 0 3 356.382 0.333 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCc2cncc(F)c2)C[C@H]1C ZINC001217077233 1224087902 /nfs/dbraw/zinc/08/79/02/1224087902.db2.gz KGVSZVATMGRNRN-JKIFEVAISA-N 0 3 360.433 0.728 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cccc3nnn(C)c32)C[C@H]1C ZINC001217123302 1224090545 /nfs/dbraw/zinc/09/05/45/1224090545.db2.gz FEDSGVCPWPEAMW-XJKCOSOUSA-N 0 3 370.457 0.709 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)CC)C[C@H]2c2cn(C)cn2)CC1 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ZINC001084090005 1257914131 /nfs/dbraw/zinc/91/41/31/1257914131.db2.gz FXAURXPOCRLTCM-AQNXPRMDSA-N 0 3 371.481 0.227 20 30 FCEDHN C=CCn1cc(C(=O)N2CC[C@H]3CCN(CCn4cccn4)[C@H]3C2)nn1 ZINC001085051871 1258546502 /nfs/dbraw/zinc/54/65/02/1258546502.db2.gz NYMZYKFOYAHILF-WBVHZDCISA-N 0 3 355.446 0.897 20 30 FCEDHN C#CCN1CCC(C(=O)N2CC[C@H]3CCN(Cc4ncnn4C)[C@H]3C2)CC1 ZINC001085100543 1258594207 /nfs/dbraw/zinc/59/42/07/1258594207.db2.gz LEYYRVBOJBTBFW-AEFFLSMTSA-N 0 3 370.501 0.583 20 30 FCEDHN C#CCN1CCC(C(=O)N2CC[C@H]3CCN(Cc4nnc(C)[nH]4)[C@H]3C2)CC1 ZINC001085100468 1258594335 /nfs/dbraw/zinc/59/43/35/1258594335.db2.gz DXIJECCTRNXQMM-AEFFLSMTSA-N 0 3 370.501 0.881 20 30 FCEDHN C=CCN1CC[C@H](N2CC[C@@H]3CN(C(=O)c4[nH]cnc4C)C[C@@H]3C2)C1=O ZINC001088222466 1258746687 /nfs/dbraw/zinc/74/66/87/1258746687.db2.gz FVAMVCPWBWHVCB-PMPSAXMXSA-N 0 3 357.458 0.899 20 30 FCEDHN CC(C)[C@@H](C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O)N1CCCC1 ZINC001091110627 1258790288 /nfs/dbraw/zinc/79/02/88/1258790288.db2.gz DDJKMPCGAKQAQX-PMPSAXMXSA-N 0 3 358.446 0.134 20 30 FCEDHN C=CCN1CC[C@@H](N2C[C@@H](CNC(=O)c3[nH]c(=O)[nH]c3C)[C@H](C)C2)C1=O ZINC001092703938 1258814061 /nfs/dbraw/zinc/81/40/61/1258814061.db2.gz ACBWWXZAZPQGAL-MRVWCRGKSA-N 0 3 361.446 0.508 20 30 FCEDHN C=CCN1CC[C@H](N2C[C@@H](CNC(=O)c3c[nH]c(=O)n3C)[C@H](C)C2)C1=O ZINC001092885708 1258887550 /nfs/dbraw/zinc/88/75/50/1258887550.db2.gz CZQVNELLESREFG-MCIONIFRSA-N 0 3 361.446 0.210 20 30 FCEDHN C[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001092887507 1258889951 /nfs/dbraw/zinc/88/99/51/1258889951.db2.gz MXZYMDXFDMEFHS-KBAYOESNSA-N 0 3 354.454 0.746 20 30 FCEDHN C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3cnc[n-]c3=O)[C@H]2C(C)C)C[C@H]1O ZINC001105637774 1258920344 /nfs/dbraw/zinc/92/03/44/1258920344.db2.gz VOFZQGKRWGTILD-JEWRLFTDSA-N 0 3 358.442 0.785 20 30 FCEDHN C=CCNC(=O)CN1CC[C@@]2(CNC(=O)Cc3cc(C)[nH]n3)CCC[C@@H]12 ZINC001107361311 1259061543 /nfs/dbraw/zinc/06/15/43/1259061543.db2.gz KNDQHEMTEVVNBR-VQIMIIECSA-N 0 3 359.474 0.924 20 30 FCEDHN C=CCNC(=O)CN1CC[C@@]2(CNC(=O)Cc3cc(C)n[nH]3)CCC[C@@H]12 ZINC001107361311 1259061553 /nfs/dbraw/zinc/06/15/53/1259061553.db2.gz KNDQHEMTEVVNBR-VQIMIIECSA-N 0 3 359.474 0.924 20 30 FCEDHN C#CCNC(=O)CN1CC[C@@]2(CNC(=O)Cn3cncc3C)CCC[C@@H]12 ZINC001107472778 1259098774 /nfs/dbraw/zinc/09/87/74/1259098774.db2.gz IRYNNHLBNLFWIY-VQIMIIECSA-N 0 3 357.458 0.302 20 30 FCEDHN COCC#CCN1CC[C@@]2(CNC(=O)C[C@H]3CC(=O)NC3=O)CCC[C@@H]12 ZINC001107658221 1259145195 /nfs/dbraw/zinc/14/51/95/1259145195.db2.gz ZVIYVLXRHUVXJM-QMTMVMCOSA-N 0 3 361.442 0.050 20 30 FCEDHN CC(C)[C@@H]1CCO[C@@H]1C(=O)NCCNCC(=O)NCC#Cc1ccccc1 ZINC001127539341 1259178932 /nfs/dbraw/zinc/17/89/32/1259178932.db2.gz ZYTKNCWQLYPWTA-ICSRJNTNSA-N 0 3 371.481 0.921 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(c2cccc(CNCCO)n2)C1 ZINC001128118442 1259194198 /nfs/dbraw/zinc/19/41/98/1259194198.db2.gz OFSBWVHKMIDRJN-ZACQAIPSSA-N 0 3 360.458 0.450 20 30 FCEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)CN2CCCC2=O)[C@@H](n2ccnn2)C1 ZINC001128656621 1259209833 /nfs/dbraw/zinc/20/98/33/1259209833.db2.gz DPAKNRHLBVLNBC-OAGGEKHMSA-N 0 3 360.462 0.597 20 30 FCEDHN CCCCCCCN1C[C@@H](NC(=O)CNC(=O)OC)[C@@H](n2ccnn2)C1 ZINC001128752515 1259226150 /nfs/dbraw/zinc/22/61/50/1259226150.db2.gz YXXVJKZLHWERJZ-CABCVRRESA-N 0 3 366.466 0.946 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@@H]1CN(CC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001128989166 1259283446 /nfs/dbraw/zinc/28/34/46/1259283446.db2.gz LHPOVKIROIUKAM-OIISXLGYSA-N 0 3 361.446 0.085 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)CNC(=O)c2ccncc2)[C@@H](n2ccnn2)C1 ZINC001129009519 1259288246 /nfs/dbraw/zinc/28/82/46/1259288246.db2.gz DENNZBWPJVPYKD-CVEARBPZSA-N 0 3 369.429 0.021 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)c2cn3c(n2)COCC3)[C@@H](n2ccnn2)C1 ZINC001129065289 1259302611 /nfs/dbraw/zinc/30/26/11/1259302611.db2.gz UCIBQPNOGPALEK-ZBFHGGJFSA-N 0 3 371.445 0.626 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)c2ccn(C)c(=O)c2)[C@@H](n2ccnn2)C1 ZINC001129071534 1259305255 /nfs/dbraw/zinc/30/52/55/1259305255.db2.gz DVSPUELZXIWBTH-CVEARBPZSA-N 0 3 356.430 0.598 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)CN2CCCCC2=O)[C@@H](n2ccnn2)C1 ZINC001129089695 1259311286 /nfs/dbraw/zinc/31/12/86/1259311286.db2.gz PSYIRWZOELKWLK-CVEARBPZSA-N 0 3 360.462 0.598 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)C[C@H]2CCC(=O)N2C)[C@@H](n2ccnn2)C1 ZINC001129144240 1259328441 /nfs/dbraw/zinc/32/84/41/1259328441.db2.gz LUNWRRHPWRBOBH-OAGGEKHMSA-N 0 3 360.462 0.597 20 30 FCEDHN C=CCOCCN1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266990 1259358915 /nfs/dbraw/zinc/35/89/15/1259358915.db2.gz SINKBEDVGWSAJM-ZACQAIPSSA-N 0 3 362.478 0.164 20 30 FCEDHN COC(=O)C1(C#N)CCN(C(=O)c2cnccc2N2CCN(C)CC2)CC1 ZINC001199356452 1259413611 /nfs/dbraw/zinc/41/36/11/1259413611.db2.gz FVLRBQGOZXPWND-UHFFFAOYSA-N 0 3 371.441 0.752 20 30 FCEDHN C=CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2C=C)CCCO1 ZINC001200537843 1259416727 /nfs/dbraw/zinc/41/67/27/1259416727.db2.gz SXBNVOWPOKREMM-ZACQAIPSSA-N 0 3 365.474 0.477 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@@H](CNCC(=O)NC2CC2)C1 ZINC001200538048 1259416780 /nfs/dbraw/zinc/41/67/80/1259416780.db2.gz WNQFZMSZVQYRAH-BBWFWOEESA-N 0 3 365.474 0.453 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ncn(C(C)(C)C)n2)C[C@H]1C ZINC001215536173 1259534985 /nfs/dbraw/zinc/53/49/85/1259534985.db2.gz KSVIDBVHJKWQHK-MGPQQGTHSA-N 0 3 362.478 0.774 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2nocc2C)C[C@H]1C ZINC001216233831 1259536881 /nfs/dbraw/zinc/53/68/81/1259536881.db2.gz CWCPEXPAUCXKGW-KGYLQXTDSA-N 0 3 363.418 0.433 20 30 FCEDHN C=CCN(C(=O)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1)C(C)C ZINC001335487596 1259683084 /nfs/dbraw/zinc/68/30/84/1259683084.db2.gz XQNRRSITYGJBES-UHFFFAOYSA-N 0 3 364.490 0.742 20 30 FCEDHN C#CCOC[C@H](O)CN1CC[C@]2(C1)COCc1c(C)nc(N(C)C)nc12 ZINC001251841037 1259764827 /nfs/dbraw/zinc/76/48/27/1259764827.db2.gz ZLVVGGGTSFPWOM-BEFAXECRSA-N 0 3 360.458 0.335 20 30 FCEDHN C=CCOC[C@@H](O)CN1CCc2nnc(COc3ccccn3)n2CC1 ZINC001252460565 1259789617 /nfs/dbraw/zinc/78/96/17/1259789617.db2.gz DGBDTDOBTDNEPA-HNNXBMFYSA-N 0 3 359.430 0.674 20 30 FCEDHN C=C[C@](C)(O)CN[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(N)=O)C(C)C ZINC001252584587 1259796785 /nfs/dbraw/zinc/79/67/85/1259796785.db2.gz CAGSXHPRIFTLLV-GJYPPUQNSA-N 0 3 363.458 0.456 20 30 FCEDHN C=C[C@@](C)(O)CN[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(N)=O)C(C)C ZINC001252584588 1259796872 /nfs/dbraw/zinc/79/68/72/1259796872.db2.gz CAGSXHPRIFTLLV-JTDSTZFVSA-N 0 3 363.458 0.456 20 30 FCEDHN CCCCCCCCCC[C@H](O)CNCC(=O)NCC(=O)NCC(N)=O ZINC001252989054 1259817145 /nfs/dbraw/zinc/81/71/45/1259817145.db2.gz MNHJXHYVGPRPIX-HNNXBMFYSA-N 0 3 372.510 0.185 20 30 FCEDHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)N2CCO[C@H](C#N)C2)c1 ZINC001261341868 1260122991 /nfs/dbraw/zinc/12/29/91/1260122991.db2.gz JXWKZOCNUBGKBV-QGZVFWFLSA-N 0 3 374.441 0.336 20 30 FCEDHN C#CC1CCN(C(=O)C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC1 ZINC001336521512 1260161085 /nfs/dbraw/zinc/16/10/85/1260161085.db2.gz OQGGRYUERZDIDA-UHFFFAOYSA-N 0 3 374.485 0.191 20 30 FCEDHN CC(C)(C)N1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 ZINC001261849810 1260197723 /nfs/dbraw/zinc/19/77/23/1260197723.db2.gz PVXIFIOGVYDHPL-MRXNPFEDSA-N 0 3 361.490 0.518 20 30 FCEDHN CC(C)(C)N1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 ZINC001261849809 1260197903 /nfs/dbraw/zinc/19/79/03/1260197903.db2.gz PVXIFIOGVYDHPL-INIZCTEOSA-N 0 3 361.490 0.518 20 30 FCEDHN CN(CCC#N)C[C@H](O)CN[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC001336793361 1260224387 /nfs/dbraw/zinc/22/43/87/1260224387.db2.gz BYIPHAHIZPDBQC-MOPGFXCFSA-N 0 3 374.485 0.252 20 30 FCEDHN C=CCn1c(Cc2nc(C)no2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001262954531 1260335741 /nfs/dbraw/zinc/33/57/41/1260335741.db2.gz ZPZJHKSGWNUVII-HNNXBMFYSA-N 0 3 373.461 0.905 20 30 FCEDHN Cn1c(Cn2cnc(C#N)n2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001337898684 1260514547 /nfs/dbraw/zinc/51/45/47/1260514547.db2.gz XCESVQQAQWRYLL-UHFFFAOYSA-N 0 3 357.466 0.885 20 30 FCEDHN C=CCn1cc(CNC23CC(C(=O)N4CCn5cnnc5C4)(C2)C3)cn1 ZINC001279767639 1260931684 /nfs/dbraw/zinc/93/16/84/1260931684.db2.gz AYPHCAMSTQEMLY-UHFFFAOYSA-N 0 3 353.430 0.715 20 30 FCEDHN CN1CCN(Cc2cnn3ccc(C#N)cc23)C[C@@]2(CCCC(=O)N2)C1 ZINC001279952658 1260973237 /nfs/dbraw/zinc/97/32/37/1260973237.db2.gz PTTRQOGMHWLRGK-LJQANCHMSA-N 0 3 352.442 0.992 20 30 FCEDHN C[C@H](O)CN1CCN(Cc2cc(C#N)n(C)c2)C[C@@]2(CCCC(=O)N2)C1 ZINC001280189434 1261026213 /nfs/dbraw/zinc/02/62/13/1261026213.db2.gz SHOQJQAZZHBYFV-HNAYVOBHSA-N 0 3 359.474 0.434 20 30 FCEDHN COCCN(C)CCn1c([C@H]2CCOC2)nnc1N1CC[C@](F)(C#N)C1 ZINC001301733106 1263018702 /nfs/dbraw/zinc/01/87/02/1263018702.db2.gz DYGKXTLRYFOVMM-YOEHRIQHSA-N 0 3 366.441 0.802 20 30 FCEDHN CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCCC1 ZINC001303411040 1263096102 /nfs/dbraw/zinc/09/61/02/1263096102.db2.gz FLHILRABFBEPDJ-CQSZACIVSA-N 0 3 361.450 0.241 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccnc2-n2cncn2)CC1 ZINC001318918624 1263626818 /nfs/dbraw/zinc/62/68/18/1263626818.db2.gz DLNAOSUTUYVKBL-UHFFFAOYSA-N 0 3 355.402 0.367 20 30 FCEDHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1ccc(OCC#N)cc1 ZINC001320600018 1263824578 /nfs/dbraw/zinc/82/45/78/1263824578.db2.gz OAQONBLRRALJGJ-UHFFFAOYSA-N 0 3 373.457 0.623 20 30 FCEDHN CN(CCNC(=O)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)C1CC1 ZINC001322025037 1264133553 /nfs/dbraw/zinc/13/35/53/1264133553.db2.gz KMPAGAFPMGKOIV-KRWDZBQOSA-N 0 3 356.426 0.669 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1NC[C@@H](O)COC ZINC001505415475 1264272591 /nfs/dbraw/zinc/27/25/91/1264272591.db2.gz OUPSZUGSAMVCOQ-RXABAKJHSA-N 0 3 360.454 0.957 20 30 FCEDHN C#CCCCNC(=O)C(=O)NCc1cccc(CN2CCN(C)CC2)c1 ZINC001322955205 1264300111 /nfs/dbraw/zinc/30/01/11/1264300111.db2.gz MEKPWOBQVMNKFH-UHFFFAOYSA-N 0 3 356.470 0.580 20 30 FCEDHN C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC[C@@H]1O ZINC001324793136 1264702073 /nfs/dbraw/zinc/70/20/73/1264702073.db2.gz JOPICVBJUCZCFN-QAPCUYQASA-N 0 3 372.469 0.678 20 30 FCEDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)C1 ZINC001325213363 1264812469 /nfs/dbraw/zinc/81/24/69/1264812469.db2.gz CNMIZHHMVKPSJY-DLBZAZTESA-N 0 3 356.426 0.470 20 30 FCEDHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)c1cc(C#N)c[nH]1 ZINC001580402864 1278235194 /nfs/dbraw/zinc/23/51/94/1278235194.db2.gz SLFRDANDZDGFGD-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)c1cc(C#N)c[nH]1 ZINC001580402864 1278235204 /nfs/dbraw/zinc/23/52/04/1278235204.db2.gz SLFRDANDZDGFGD-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN C=CCn1cc(CNC(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)nn1 ZINC001325910921 1265020522 /nfs/dbraw/zinc/02/05/22/1265020522.db2.gz NAYQUJSQAPNELC-DOTOQJQBSA-N 0 3 361.494 0.632 20 30 FCEDHN N#CCCC[C@@H](N)C(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC001326001783 1265040835 /nfs/dbraw/zinc/04/08/35/1265040835.db2.gz PWZLYHODZXQANN-UKRRQHHQSA-N 0 3 360.414 0.448 20 30 FCEDHN C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)c1c[nH]c(C#N)c1 ZINC001580408349 1278247852 /nfs/dbraw/zinc/24/78/52/1278247852.db2.gz HQPBFTJPRVPPLH-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)c1c[nH]c(C#N)c1 ZINC001580408349 1278247861 /nfs/dbraw/zinc/24/78/61/1278247861.db2.gz HQPBFTJPRVPPLH-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN N#Cc1ccc(N2C[C@H](C(=O)N[C@@H](CO)CN3CCCCC3)CC2=O)cc1 ZINC001327375663 1265294831 /nfs/dbraw/zinc/29/48/31/1265294831.db2.gz IKYCWNNKFADDBK-IAGOWNOFSA-N 0 3 370.453 0.874 20 30 FCEDHN C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC001333041839 1266528373 /nfs/dbraw/zinc/52/83/73/1266528373.db2.gz QIOYNXRIQQGSKP-IAGOWNOFSA-N 0 3 374.485 0.108 20 30 FCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCS(N)(=O)=O ZINC001541105915 1267476657 /nfs/dbraw/zinc/47/66/57/1267476657.db2.gz ZOQJHHPCPQIULO-UHFFFAOYSA-N 0 3 352.460 0.517 20 30 FCEDHN C=CCn1c(CCCS(N)(=O)=O)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001338853114 1268106744 /nfs/dbraw/zinc/10/67/44/1268106744.db2.gz VNXYVJKXVWBVQM-UONOGXRCSA-N 0 3 370.523 0.604 20 30 FCEDHN C=CCn1c(-c2cn(CCO)nn2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001339138334 1268175124 /nfs/dbraw/zinc/17/51/24/1268175124.db2.gz VTRLVDFXHMOIML-ZIAGYGMSSA-N 0 3 360.466 0.634 20 30 FCEDHN C=CCn1c([C@@H](O)COC)nnc1N1CCN(C2CCOCC2)CC1 ZINC001339269391 1268199432 /nfs/dbraw/zinc/19/94/32/1268199432.db2.gz YYFVEDVSNCKRHN-HNNXBMFYSA-N 0 3 351.451 0.445 20 30 FCEDHN C=CCN1CCC(NC(=O)NCCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC001339732929 1268312637 /nfs/dbraw/zinc/31/26/37/1268312637.db2.gz HXODNNJQDCTXEN-UHFFFAOYSA-N 0 3 351.451 0.657 20 30 FCEDHN C=CCn1c(-c2c[nH]cn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001339828978 1268341308 /nfs/dbraw/zinc/34/13/08/1268341308.db2.gz HGJBVAQLMPRIPK-OAHLLOKOSA-N 0 3 370.461 0.597 20 30 FCEDHN C=CCn1c(CCOC)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001340265224 1268490742 /nfs/dbraw/zinc/49/07/42/1268490742.db2.gz XZXIUIBSGKASEB-UHFFFAOYSA-N 0 3 364.494 0.643 20 30 FCEDHN CCn1c([C@@H]2C[C@H]2C#N)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001340262225 1268490935 /nfs/dbraw/zinc/49/09/35/1268490935.db2.gz UKWIYWOSWZGTMS-LSDHHAIUSA-N 0 3 357.462 0.669 20 30 FCEDHN C=CCn1c(N2CCN(C3CCOCC3)CC2)nnc1[C@]1(O)CCOC1 ZINC001340624370 1268608474 /nfs/dbraw/zinc/60/84/74/1268608474.db2.gz PWDIVLZFYYRMQG-SFHVURJKSA-N 0 3 363.462 0.373 20 30 FCEDHN C=C[C@H](COC)NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001341461780 1269013321 /nfs/dbraw/zinc/01/33/21/1269013321.db2.gz YUNHMKMNZTWIMH-WBVHZDCISA-N 0 3 362.474 0.789 20 30 FCEDHN C=CCn1c(-c2cc(=O)[nH]c(=O)[nH]2)nnc1N1CCN(C2CCCC2)CC1 ZINC001342145597 1269369741 /nfs/dbraw/zinc/36/97/41/1269369741.db2.gz BZBGZFIOMFOJLQ-UHFFFAOYSA-N 0 3 371.445 0.958 20 30 FCEDHN C#CCn1ccc(CN(CC)C(=O)C(=O)N[C@@H](CC)CN2CCCC2)n1 ZINC001342176347 1269383348 /nfs/dbraw/zinc/38/33/48/1269383348.db2.gz RYUHGWBZZDECMT-INIZCTEOSA-N 0 3 359.474 0.855 20 30 FCEDHN N#CCNC(=O)CNC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC001342599369 1269531314 /nfs/dbraw/zinc/53/13/14/1269531314.db2.gz DMGQDWWHMZPLOL-UHFFFAOYSA-N 0 3 359.430 0.082 20 30 FCEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCCN2C(=O)CNC2=O)c1 ZINC001343983507 1270066868 /nfs/dbraw/zinc/06/68/68/1270066868.db2.gz VMBMLFMZDSAEKM-CYBMUJFWSA-N 0 3 358.354 0.675 20 30 FCEDHN C#CCN(C(=O)c1n[nH]c2c1CCC2)C1CCN(CCc2cn[nH]n2)CC1 ZINC001574928199 1271680169 /nfs/dbraw/zinc/68/01/69/1271680169.db2.gz JKDYSOIDGWFBRO-UHFFFAOYSA-N 0 3 367.457 0.799 20 30 FCEDHN C=CCNC(=O)Cn1c([C@@H]2CCCN2)nnc1N1CC=C(COC)CC1 ZINC001574936560 1271681492 /nfs/dbraw/zinc/68/14/92/1271681492.db2.gz MVAMTVNZXNNNQQ-HNNXBMFYSA-N 0 3 360.462 0.788 20 30 FCEDHN C#CCN1CCC(N(Cc2c[nH]nn2)C(=O)C(=O)N2CCC[C@H](C)C2)CC1 ZINC001574986164 1271688757 /nfs/dbraw/zinc/68/87/57/1271688757.db2.gz UEDXVBAGFVWAEI-HNNXBMFYSA-N 0 3 372.473 0.489 20 30 FCEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CN(CC(=O)NCc2c[nH]nn2)C[C@H]1C ZINC001575074668 1271709686 /nfs/dbraw/zinc/70/96/86/1271709686.db2.gz XRDSBOWZCXGYMN-LBTNJELSSA-N 0 3 362.478 0.707 20 30 FCEDHN C=CCCN1CCC(N(Cc2c[nH]nn2)C(=O)C2CS(=O)(=O)C2)CC1 ZINC001575097373 1271716549 /nfs/dbraw/zinc/71/65/49/1271716549.db2.gz JQDPMVYWFAAPBK-UHFFFAOYSA-N 0 3 367.475 0.218 20 30 FCEDHN C=CCCn1cc(C(=O)N[C@@H]2CC[C@H](C)N(CCc3c[nH]nn3)C2)nn1 ZINC001575099947 1271718638 /nfs/dbraw/zinc/71/86/38/1271718638.db2.gz GYBXXKGNCSYCIS-DZGCQCFKSA-N 0 3 358.450 0.798 20 30 FCEDHN C=CCNC(=O)CNC[C@@H](C)N(C)C(=O)c1ccc(-c2c[nH]nn2)cn1 ZINC001575108026 1271721017 /nfs/dbraw/zinc/72/10/17/1271721017.db2.gz DFENXTBTLHEZAA-GFCCVEGCSA-N 0 3 357.418 0.219 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H](C)CNC(=O)c1ccc(-c2cn[nH]n2)nc1 ZINC001575105012 1271721807 /nfs/dbraw/zinc/72/18/07/1271721807.db2.gz ZMFRDFVNPKAROW-RYUDHWBXSA-N 0 3 357.418 0.265 20 30 FCEDHN C[C@@H](OCc1cn[nH]n1)C(=O)N(C)C[C@@H](O)CNCC#Cc1ccccc1 ZINC001575720697 1272374612 /nfs/dbraw/zinc/37/46/12/1272374612.db2.gz VIJHIKWRSXFYGM-QAPCUYQASA-N 0 3 371.441 0.170 20 30 FCEDHN CCCN(CCNC(=O)c1ccc(C#N)[nH]1)[C@H](C)C(=O)NCc1c[nH]nn1 ZINC001576480282 1273318614 /nfs/dbraw/zinc/31/86/14/1273318614.db2.gz OJRAWXWIHGGUHE-GFCCVEGCSA-N 0 3 372.433 0.151 20 30 FCEDHN COCC#CCN1CCC(N(Cc2c[nH]nn2)C(=O)c2ccn(C)c2)CC1 ZINC001576953089 1273973651 /nfs/dbraw/zinc/97/36/51/1273973651.db2.gz MARUCOMHFPFKRT-UHFFFAOYSA-N 0 3 370.457 0.900 20 30 FCEDHN CN(C[C@H](O)C[NH2+]Cc1ccccc1-c1nnn[n-]1)C(=O)C#CC1CC1 ZINC001579040107 1276626723 /nfs/dbraw/zinc/62/67/23/1276626723.db2.gz DBGSMINHFWYJAK-OAHLLOKOSA-N 0 3 354.414 0.189 20 30 FCEDHN CN(C[C@H](O)C[NH2+]Cc1ccccc1-c1nn[n-]n1)C(=O)C#CC1CC1 ZINC001579040107 1276626728 /nfs/dbraw/zinc/62/67/28/1276626728.db2.gz DBGSMINHFWYJAK-OAHLLOKOSA-N 0 3 354.414 0.189 20 30 FCEDHN COCC#CC[NH2+]C1(C)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001579618133 1277662562 /nfs/dbraw/zinc/66/25/62/1277662562.db2.gz IOZLAMSSPKHGDF-UHFFFAOYSA-N 0 3 357.418 0.429 20 30 FCEDHN COCC#CC[NH2+]C1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001579618133 1277662567 /nfs/dbraw/zinc/66/25/67/1277662567.db2.gz IOZLAMSSPKHGDF-UHFFFAOYSA-N 0 3 357.418 0.429 20 30 FCEDHN N#CCSCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21 ZINC001581858581 1280611905 /nfs/dbraw/zinc/61/19/05/1280611905.db2.gz MQTCEUOAOIYGSI-FOLVSLTJSA-N 0 3 369.454 0.670 20 30 FCEDHN N#CCSCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@H]21 ZINC001581858581 1280611912 /nfs/dbraw/zinc/61/19/12/1280611912.db2.gz MQTCEUOAOIYGSI-FOLVSLTJSA-N 0 3 369.454 0.670 20 30 FCEDHN N#CCSCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21 ZINC001581858581 1280611916 /nfs/dbraw/zinc/61/19/16/1280611916.db2.gz MQTCEUOAOIYGSI-FOLVSLTJSA-N 0 3 369.454 0.670 20 30 FCEDHN N#CCSCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[n-]n3)C[C@H]21 ZINC001581858581 1280611917 /nfs/dbraw/zinc/61/19/17/1280611917.db2.gz MQTCEUOAOIYGSI-FOLVSLTJSA-N 0 3 369.454 0.670 20 30 FCEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCCS(N)(=O)=O ZINC001631654196 1282103740 /nfs/dbraw/zinc/10/37/40/1282103740.db2.gz SZQRHQZNPICDMB-UHFFFAOYSA-N 0 3 352.460 0.517 20 30 FCEDHN C#CCC1(O)CC[NH+](C[C@H](O)COc2ccccc2-c2nnn[n-]2)CC1 ZINC001588335498 1282427349 /nfs/dbraw/zinc/42/73/49/1282427349.db2.gz OUTCFKCXTSTUHV-AWEZNQCLSA-N 0 3 357.414 0.457 20 30 FCEDHN C#CCC1(O)CC[NH+](C[C@H](O)COc2ccccc2-c2nn[n-]n2)CC1 ZINC001588335498 1282427353 /nfs/dbraw/zinc/42/73/53/1282427353.db2.gz OUTCFKCXTSTUHV-AWEZNQCLSA-N 0 3 357.414 0.457 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)NCCCN(C)c1ccncc1-c1nn[nH]n1 ZINC001588350954 1282443713 /nfs/dbraw/zinc/44/37/13/1282443713.db2.gz BNFFFLSETTZBHO-INIZCTEOSA-N 0 3 368.445 0.302 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001588355115 1282451502 /nfs/dbraw/zinc/45/15/02/1282451502.db2.gz DCARDTTZRVECTD-OLZOCXBDSA-N 0 3 374.420 0.981 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001588355115 1282451509 /nfs/dbraw/zinc/45/15/09/1282451509.db2.gz DCARDTTZRVECTD-OLZOCXBDSA-N 0 3 374.420 0.981 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588354955 1282451694 /nfs/dbraw/zinc/45/16/94/1282451694.db2.gz CJAIPMITTWRNOA-WMLDXEAASA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588354955 1282451697 /nfs/dbraw/zinc/45/16/97/1282451697.db2.gz CJAIPMITTWRNOA-WMLDXEAASA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588355016 1282451796 /nfs/dbraw/zinc/45/17/96/1282451796.db2.gz DFOVLQLWSIIDJS-OLZOCXBDSA-N 0 3 374.420 0.886 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588355016 1282451802 /nfs/dbraw/zinc/45/18/02/1282451802.db2.gz DFOVLQLWSIIDJS-OLZOCXBDSA-N 0 3 374.420 0.886 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001588355117 1282451983 /nfs/dbraw/zinc/45/19/83/1282451983.db2.gz DCARDTTZRVECTD-STQMWFEESA-N 0 3 374.420 0.981 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001588355117 1282451987 /nfs/dbraw/zinc/45/19/87/1282451987.db2.gz DCARDTTZRVECTD-STQMWFEESA-N 0 3 374.420 0.981 20 30 FCEDHN C#CCO[C@H](C)C(=O)NCC[C@@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588356806 1282461464 /nfs/dbraw/zinc/46/14/64/1282461464.db2.gz GIGRYCQTUGFAMB-ZIAGYGMSSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@H](C)C(=O)NCC[C@@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001588356806 1282461471 /nfs/dbraw/zinc/46/14/71/1282461471.db2.gz GIGRYCQTUGFAMB-ZIAGYGMSSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NCC[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001588356822 1282463839 /nfs/dbraw/zinc/46/38/39/1282463839.db2.gz GMTLOPAVQZXMCW-KBPBESRZSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NCC[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001588356822 1282463848 /nfs/dbraw/zinc/46/38/48/1282463848.db2.gz GMTLOPAVQZXMCW-KBPBESRZSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001588358188 1282468061 /nfs/dbraw/zinc/46/80/61/1282468061.db2.gz VANHMWCBHJQWKQ-GUYCJALGSA-N 0 3 368.441 0.889 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001588358188 1282468065 /nfs/dbraw/zinc/46/80/65/1282468065.db2.gz VANHMWCBHJQWKQ-GUYCJALGSA-N 0 3 368.441 0.889 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001588358187 1282468345 /nfs/dbraw/zinc/46/83/45/1282468345.db2.gz VANHMWCBHJQWKQ-DYVFJYSZSA-N 0 3 368.441 0.889 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001588358187 1282468350 /nfs/dbraw/zinc/46/83/50/1282468350.db2.gz VANHMWCBHJQWKQ-DYVFJYSZSA-N 0 3 368.441 0.889 20 30 FCEDHN C#CCO[C@H](C)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588358084 1282469218 /nfs/dbraw/zinc/46/92/18/1282469218.db2.gz PDRPGJPGBKGIQA-UONOGXRCSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588358512 1282471173 /nfs/dbraw/zinc/47/11/73/1282471173.db2.gz YMSYATWIZXWZHU-CABCVRRESA-N 0 3 368.441 0.843 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588358512 1282471176 /nfs/dbraw/zinc/47/11/76/1282471176.db2.gz YMSYATWIZXWZHU-CABCVRRESA-N 0 3 368.441 0.843 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001588358512 1282471179 /nfs/dbraw/zinc/47/11/79/1282471179.db2.gz YMSYATWIZXWZHU-CABCVRRESA-N 0 3 368.441 0.843 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001588358512 1282471182 /nfs/dbraw/zinc/47/11/82/1282471182.db2.gz YMSYATWIZXWZHU-CABCVRRESA-N 0 3 368.441 0.843 20 30 FCEDHN C#CCOCCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)[C@H]1C ZINC001588358952 1282473112 /nfs/dbraw/zinc/47/31/12/1282473112.db2.gz DPLQWNUVKRBHKV-RHSMWYFYSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCOCCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)[C@H]1C ZINC001588358952 1282473115 /nfs/dbraw/zinc/47/31/15/1282473115.db2.gz DPLQWNUVKRBHKV-RHSMWYFYSA-N 0 3 368.441 0.986 20 30 FCEDHN C#Cc1cncc(C(=O)NCC[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001588379909 1282496517 /nfs/dbraw/zinc/49/65/17/1282496517.db2.gz QFDDUQSTQLDACE-UHFFFAOYSA-N 0 3 365.372 0.902 20 30 FCEDHN C#Cc1cncc(C(=O)NCC[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001588379909 1282496523 /nfs/dbraw/zinc/49/65/23/1282496523.db2.gz QFDDUQSTQLDACE-UHFFFAOYSA-N 0 3 365.372 0.902 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)NCCC[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001588505748 1282547473 /nfs/dbraw/zinc/54/74/73/1282547473.db2.gz WMXBKIUOJRNPLH-QGZVFWFLSA-N 0 3 362.409 0.929 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)NCCC[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001588505748 1282547479 /nfs/dbraw/zinc/54/74/79/1282547479.db2.gz WMXBKIUOJRNPLH-QGZVFWFLSA-N 0 3 362.409 0.929 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)NC/C=C\C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588505885 1282548750 /nfs/dbraw/zinc/54/87/50/1282548750.db2.gz ZCLGKQUWFLKWKB-HPFMTEOYSA-N 0 3 356.430 0.956 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)NC/C=C\C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001588505885 1282548759 /nfs/dbraw/zinc/54/87/59/1282548759.db2.gz ZCLGKQUWFLKWKB-HPFMTEOYSA-N 0 3 356.430 0.956 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588508901 1282550462 /nfs/dbraw/zinc/55/04/62/1282550462.db2.gz RZEAMWQUCZIAQW-PIGZYNQJSA-N 0 3 362.409 0.927 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588508901 1282550468 /nfs/dbraw/zinc/55/04/68/1282550468.db2.gz RZEAMWQUCZIAQW-PIGZYNQJSA-N 0 3 362.409 0.927 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588509600 1282551338 /nfs/dbraw/zinc/55/13/38/1282551338.db2.gz XOQHTFBTOJOECN-RVKKMQEKSA-N 0 3 356.430 0.931 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001588509600 1282551342 /nfs/dbraw/zinc/55/13/42/1282551342.db2.gz XOQHTFBTOJOECN-RVKKMQEKSA-N 0 3 356.430 0.931 20 30 FCEDHN C=CCC[C@@H](C)[NH2+]C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001588577006 1282574244 /nfs/dbraw/zinc/57/42/44/1282574244.db2.gz AEQCHODGKZCSNG-OLZOCXBDSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCC[C@@H](C)[NH2+]C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001588577006 1282574250 /nfs/dbraw/zinc/57/42/50/1282574250.db2.gz AEQCHODGKZCSNG-OLZOCXBDSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588682124 1282639156 /nfs/dbraw/zinc/63/91/56/1282639156.db2.gz BSPNOSQWDDWQFP-OLZOCXBDSA-N 0 3 359.434 0.838 20 30 FCEDHN C=CCOCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588682124 1282639166 /nfs/dbraw/zinc/63/91/66/1282639166.db2.gz BSPNOSQWDDWQFP-OLZOCXBDSA-N 0 3 359.434 0.838 20 30 FCEDHN C=CCOCCC[NH2+]CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001588681965 1282640851 /nfs/dbraw/zinc/64/08/51/1282640851.db2.gz JNFYFESXYYBHLJ-UHFFFAOYSA-N 0 3 352.420 0.218 20 30 FCEDHN C=CCOCC[N@@H+]1CCC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001588683308 1282643358 /nfs/dbraw/zinc/64/33/58/1282643358.db2.gz QHJCSMOOICLBAO-UHFFFAOYSA-N 0 3 357.418 0.545 20 30 FCEDHN C=CCOCC[N@H+]1CCC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001588683308 1282643372 /nfs/dbraw/zinc/64/33/72/1282643372.db2.gz QHJCSMOOICLBAO-UHFFFAOYSA-N 0 3 357.418 0.545 20 30 FCEDHN CC#CCCCC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588740894 1282683385 /nfs/dbraw/zinc/68/33/85/1282683385.db2.gz ZHWDSEUBNKCVJF-CQSZACIVSA-N 0 3 374.420 0.766 20 30 FCEDHN COC(=O)[C@H](C)CN(C)C(=O)C(C#N)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591230344 1284370296 /nfs/dbraw/zinc/37/02/96/1284370296.db2.gz ZPXJBRTWVVDBAO-RISCZKNCSA-N 0 3 356.386 0.816 20 30 FCEDHN COC(=O)[C@]1(F)CCN(C(=O)C(C#N)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591241632 1284388297 /nfs/dbraw/zinc/38/82/97/1284388297.db2.gz AKZIHYZFWRJEQQ-GUYCJALGSA-N 0 3 372.360 0.663 20 30 FCEDHN COCC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001591360268 1284496000 /nfs/dbraw/zinc/49/60/00/1284496000.db2.gz BUEDFSSVWQRHEG-ZIAGYGMSSA-N 0 3 371.445 0.675 20 30 FCEDHN COCC#CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001591363864 1284502326 /nfs/dbraw/zinc/50/23/26/1284502326.db2.gz JXJGUUGZHRFBPY-JOCQHMNTSA-N 0 3 357.418 0.475 20 30 FCEDHN N#CCSCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001592680548 1285578883 /nfs/dbraw/zinc/57/88/83/1285578883.db2.gz TVTKJQWWEWOKNP-CQSZACIVSA-N 0 3 357.443 0.814 20 30 FCEDHN N#Cc1cc(C(=O)NCCC[NH2+]Cc2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC001592687812 1285582789 /nfs/dbraw/zinc/58/27/89/1285582789.db2.gz HOLYBZOXPBTAAZ-UHFFFAOYSA-N 0 3 350.386 0.976 20 30 FCEDHN N#Cc1cc(C(=O)NCCC[NH2+]Cc2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC001592687812 1285582794 /nfs/dbraw/zinc/58/27/94/1285582794.db2.gz HOLYBZOXPBTAAZ-UHFFFAOYSA-N 0 3 350.386 0.976 20 30 FCEDHN N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4-c4nnn[n-]4)C[C@H]32)c1 ZINC001592686420 1285584254 /nfs/dbraw/zinc/58/42/54/1285584254.db2.gz KQRLMIYXSYATPU-QLPKVWCKSA-N 0 3 374.408 0.927 20 30 FCEDHN N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4-c4nnn[n-]4)C[C@H]32)c1 ZINC001592686420 1285584265 /nfs/dbraw/zinc/58/42/65/1285584265.db2.gz KQRLMIYXSYATPU-QLPKVWCKSA-N 0 3 374.408 0.927 20 30 FCEDHN N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4-c4nn[n-]n4)C[C@H]32)c1 ZINC001592686420 1285584269 /nfs/dbraw/zinc/58/42/69/1285584269.db2.gz KQRLMIYXSYATPU-QLPKVWCKSA-N 0 3 374.408 0.927 20 30 FCEDHN N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4-c4nn[n-]n4)C[C@H]32)c1 ZINC001592686420 1285584277 /nfs/dbraw/zinc/58/42/77/1285584277.db2.gz KQRLMIYXSYATPU-QLPKVWCKSA-N 0 3 374.408 0.927 20 30 FCEDHN N#Cc1cccc(C[NH2+]CCCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC001592702025 1285591252 /nfs/dbraw/zinc/59/12/52/1285591252.db2.gz OEYFFRUWSQGCCC-UHFFFAOYSA-N 0 3 350.386 0.976 20 30 FCEDHN N#Cc1cccc(C[NH2+]CCCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC001592702025 1285591257 /nfs/dbraw/zinc/59/12/57/1285591257.db2.gz OEYFFRUWSQGCCC-UHFFFAOYSA-N 0 3 350.386 0.976 20 30 FCEDHN C#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001602717958 1287075277 /nfs/dbraw/zinc/07/52/77/1287075277.db2.gz KDNZDHVSVNBZDJ-ZIEJDFEHSA-N 0 3 351.414 0.610 20 30 FCEDHN C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001602717958 1287075283 /nfs/dbraw/zinc/07/52/83/1287075283.db2.gz KDNZDHVSVNBZDJ-ZIEJDFEHSA-N 0 3 351.414 0.610 20 30 FCEDHN C#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001602717958 1287075294 /nfs/dbraw/zinc/07/52/94/1287075294.db2.gz KDNZDHVSVNBZDJ-ZIEJDFEHSA-N 0 3 351.414 0.610 20 30 FCEDHN C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001602717958 1287075303 /nfs/dbraw/zinc/07/53/03/1287075303.db2.gz KDNZDHVSVNBZDJ-ZIEJDFEHSA-N 0 3 351.414 0.610 20 30 FCEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC001602854000 1287138295 /nfs/dbraw/zinc/13/82/95/1287138295.db2.gz PSZZMDLKAHBYNW-STQMWFEESA-N 0 3 371.445 0.623 20 30 FCEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC001602854000 1287138298 /nfs/dbraw/zinc/13/82/98/1287138298.db2.gz PSZZMDLKAHBYNW-STQMWFEESA-N 0 3 371.445 0.623 20 30 FCEDHN CN(CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1O)CC(C)(C)C ZINC001719136693 1287805681 /nfs/dbraw/zinc/80/56/81/1287805681.db2.gz ZLBYASONTCZAJF-HUUCEWRRSA-N 0 3 361.446 0.166 20 30 FCEDHN COCCN(C)CCn1c(CC(C)C)nnc1N1CCO[C@@H](C#N)C1 ZINC001619880681 1289966730 /nfs/dbraw/zinc/96/67/30/1289966730.db2.gz BBAFMXKBKYQRSW-HNNXBMFYSA-N 0 3 350.467 0.784 20 30 FCEDHN N#Cc1ccc(NCC(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)nc1 ZINC001626353766 1290391534 /nfs/dbraw/zinc/39/15/34/1290391534.db2.gz FCRRSVYHNPXJEL-OAHLLOKOSA-N 0 3 356.430 0.306 20 30 FCEDHN C#CCN1CCC(C(=O)NCC[C@@H](C)NC(=O)[C@H]2OCCO[C@H]2C)CC1 ZINC001688261719 1294477672 /nfs/dbraw/zinc/47/76/72/1294477672.db2.gz RHIPTFCDKJBTAQ-VYDXJSESSA-N 0 3 365.474 0.147 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1c1cnn(C)c1 ZINC001689033900 1294578208 /nfs/dbraw/zinc/57/82/08/1294578208.db2.gz CSPPOSDGWCATGY-YQFWSFKMSA-N 0 3 357.458 0.229 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)CCn2cc(C)cn2)C[C@H]1c1cnn(C)c1 ZINC001689036391 1294582356 /nfs/dbraw/zinc/58/23/56/1294582356.db2.gz XHTWOJDCHLAXMM-ZWKOTPCHSA-N 0 3 354.458 0.923 20 30 FCEDHN C#CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1cnc2n[nH]cc2c1 ZINC001689091741 1294609269 /nfs/dbraw/zinc/60/92/69/1294609269.db2.gz PJIGZFUKQMORRY-CJNGLKHVSA-N 0 3 368.441 0.538 20 30 FCEDHN C#CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1ccc2nc[nH]c2n1 ZINC001689091482 1294610605 /nfs/dbraw/zinc/61/06/05/1294610605.db2.gz DXVVKAVLWCARAW-KGLIPLIRSA-N 0 3 368.441 0.538 20 30 FCEDHN CCc1nn(C)cc1C(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)NCC#N ZINC001689091855 1294610888 /nfs/dbraw/zinc/61/08/88/1294610888.db2.gz TZPPDOQRMIDCEU-KGLIPLIRSA-N 0 3 360.462 0.453 20 30 FCEDHN CC#CCN1CC[C@@H]2CN(C(=O)CS(=O)(=O)NC(C)(C)C)C[C@@H]2C1 ZINC001689238910 1294701088 /nfs/dbraw/zinc/70/10/88/1294701088.db2.gz QRFCQSSFCQIBDL-CABCVRRESA-N 0 3 355.504 0.508 20 30 FCEDHN COCC#CCN[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1c1ccc(OC)cc1 ZINC001689385692 1294775024 /nfs/dbraw/zinc/77/50/24/1294775024.db2.gz BPOBOHGTUSNJLR-FUHWJXTLSA-N 0 3 369.425 0.661 20 30 FCEDHN C#CCNC(=O)[C@@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)c1cnn(CC)c1 ZINC001691799080 1294924241 /nfs/dbraw/zinc/92/42/41/1294924241.db2.gz AVASDGUAUMDRAH-INMHGKMJSA-N 0 3 359.474 0.871 20 30 FCEDHN N#Cc1c[nH]c2ncnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164740731 720607570 /nfs/dbraw/zinc/60/75/70/720607570.db2.gz ISCFKPUQLBYHOI-UONOGXRCSA-N 0 3 362.397 0.961 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)CN(C)CCC)C1 ZINC001065632603 837403575 /nfs/dbraw/zinc/40/35/75/837403575.db2.gz UYMSFYCDHLPQFY-OAGGEKHMSA-N 0 3 353.463 0.263 20 30 FCEDHN C=C(Cl)CN[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001070208910 837634202 /nfs/dbraw/zinc/63/42/02/837634202.db2.gz DNPGFMVWFZZENE-CABCVRRESA-N 0 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C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NCC(=O)Nc1cc(C)no1 ZINC001267145284 859497109 /nfs/dbraw/zinc/49/71/09/859497109.db2.gz PDECTTOOJSBGHN-YUTCNCBUSA-N 0 3 350.419 0.997 20 30 FCEDHN CN(C)CCN1C[C@@]2(CCN(C(=O)c3ccc(C#N)s3)C2)OCC1=O ZINC001274212133 860708563 /nfs/dbraw/zinc/70/85/63/860708563.db2.gz ZDVMSXBHOZYEHW-QGZVFWFLSA-N 0 3 362.455 0.625 20 30 FCEDHN C[C@@H](O)CN1CCC[C@]2(C1)CN(C(=O)C1(C#N)CCOCC1)CCO2 ZINC001280184517 863313065 /nfs/dbraw/zinc/31/30/65/863313065.db2.gz LKFIUZWBSLNZOZ-QAPCUYQASA-N 0 3 351.447 0.381 20 30 FCEDHN CN1CCCC[C@@H]1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC001304578226 866535823 /nfs/dbraw/zinc/53/58/23/866535823.db2.gz UHNVDSYXTRJHDU-CQSZACIVSA-N 0 3 350.444 0.437 20 30 FCEDHN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CCCCN1C ZINC001304581212 866536494 /nfs/dbraw/zinc/53/64/94/866536494.db2.gz RCVPVTAJLLJFGF-ZFWWWQNUSA-N 0 3 364.471 0.826 20 30 FCEDHN COCCN(C)CCn1c([C@@H]2CCOC2)nnc1N(C)C[C@@H](C)C#N ZINC001316070940 867343661 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C=CCN1CCC(NC(=O)C(=O)N[C@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC001328668295 871569786 /nfs/dbraw/zinc/56/97/86/871569786.db2.gz AIKCDCPOVFQGSX-MAUKXSAKSA-N 0 3 351.447 0.207 20 30 FCEDHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@H](C#N)C2)CC1 ZINC001333145393 873821214 /nfs/dbraw/zinc/82/12/14/873821214.db2.gz YABZFRTVHUQUQP-CQSZACIVSA-N 0 3 350.463 0.754 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573286227 946799513 /nfs/dbraw/zinc/79/95/13/946799513.db2.gz WPUKKNQYFPNJNS-ZFWWWQNUSA-N 0 3 354.414 0.596 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573286227 946799519 /nfs/dbraw/zinc/79/95/19/946799519.db2.gz WPUKKNQYFPNJNS-ZFWWWQNUSA-N 0 3 354.414 0.596 20 30 FCEDHN C#CCO[C@H](C)C(=O)N(C)[C@H](C)CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001573286282 946803525 /nfs/dbraw/zinc/80/35/25/946803525.db2.gz YFUVAWYJKKQKNZ-CHWSQXEVSA-N 0 3 374.420 0.981 20 30 FCEDHN C=CC(C)(C)C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573304832 947144127 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FCEDHN N#CCCC[C@@H](N)C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000424065787 247166789 /nfs/dbraw/zinc/16/67/89/247166789.db2.gz MKDRBWMQYRCASF-MRXNPFEDSA-N 0 3 364.471 0.977 20 30 FCEDHN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)[C@H](N)CCCC#N)CC2)C1 ZINC000424135861 247171205 /nfs/dbraw/zinc/17/12/05/247171205.db2.gz MYZXTEPXKKDQKQ-IXDOHACOSA-N 0 3 363.506 0.656 20 30 FCEDHN N#CCCC[C@H](N)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000424129270 247172272 /nfs/dbraw/zinc/17/22/72/247172272.db2.gz CQGCDFAMNOVQOO-KRWDZBQOSA-N 0 3 357.458 0.468 20 30 FCEDHN CN1CCN(C(=O)Cc2ccc(NC(=O)[C@@H](N)CCCC#N)cc2)CC1 ZINC000424160333 247173130 /nfs/dbraw/zinc/17/31/30/247173130.db2.gz UGEHTQMDMXMQOX-KRWDZBQOSA-N 0 3 357.458 0.963 20 30 FCEDHN COCCN(C)CCN1C[C@H](NC(=O)[C@H](C)c2cccc(C#N)c2)CC1=O ZINC000425309106 247322099 /nfs/dbraw/zinc/32/20/99/247322099.db2.gz CRMLFEQNTGCCAV-CRAIPNDOSA-N 0 3 372.469 0.957 20 30 FCEDHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000439634898 248136975 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C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000481159554 250319042 /nfs/dbraw/zinc/31/90/42/250319042.db2.gz VDRBKEMMNGKDGO-GXTWGEPZSA-N 0 3 362.455 0.578 20 30 FCEDHN COC[C@H](C)NC(=[NH2+])NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000130677705 532987756 /nfs/dbraw/zinc/98/77/56/532987756.db2.gz CDXYSKYGKMKUTE-QMMMGPOBSA-N 0 3 354.885 0.619 20 30 FCEDHN Cn1cc(CN2CCCN(c3ccccc3C#N)CC2)c(=O)n(C)c1=O ZINC000091792542 208137541 /nfs/dbraw/zinc/13/75/41/208137541.db2.gz NKTOSVUXFOWVCQ-UHFFFAOYSA-N 0 3 353.426 0.668 20 30 FCEDHN CCN(CC)CC(=O)N1CCN(C(=O)COc2ccccc2C#N)CC1 ZINC000103449708 208176983 /nfs/dbraw/zinc/17/69/83/208176983.db2.gz IAUQCWWBNZLDJI-UHFFFAOYSA-N 0 3 358.442 0.950 20 30 FCEDHN N#C[C@@H]1CN(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)CCO1 ZINC000409485256 230020691 /nfs/dbraw/zinc/02/06/91/230020691.db2.gz JTFFGRVLXOJIGQ-IMJJTQAJSA-N 0 3 354.476 0.404 20 30 FCEDHN CN(C)CCOc1cccc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)c1 ZINC000409546812 230026968 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C=CCOCCN[C@@H]1CN(C(=O)c2ccnc(C)n2)C[C@@H]1n1ccnn1 ZINC001130129791 1201508895 /nfs/dbraw/zinc/50/88/95/1201508895.db2.gz WVTUHPIZQMAUKT-CVEARBPZSA-N 0 3 357.418 0.234 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CN(C)Cc2ccccc2)C[C@@H]1n1ccnn1 ZINC001130153449 1201517935 /nfs/dbraw/zinc/51/79/35/1201517935.db2.gz RYENOKXGRPDWCO-MSOLQXFVSA-N 0 3 354.458 0.938 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=Cc2ccco2)[n-]1 ZINC001130177564 1201522785 /nfs/dbraw/zinc/52/27/85/1201522785.db2.gz HYYCVMVCUPOYKC-LUNKNMTDSA-N 0 3 355.398 0.823 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccccn2)[n-]1 ZINC001130181740 1201525191 /nfs/dbraw/zinc/52/51/91/1201525191.db2.gz SRFOSQGOUFFSJN-ZFWWWQNUSA-N 0 3 354.414 0.615 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C)nc2)[n-]1 ZINC001130187233 1201528564 /nfs/dbraw/zinc/52/85/64/1201528564.db2.gz XGLQQTOYEFXHAI-HOTGVXAUSA-N 0 3 368.441 0.924 20 30 FCEDHN C=CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#CCOC)[n-]1 ZINC001130193457 1201531620 /nfs/dbraw/zinc/53/16/20/1201531620.db2.gz YXZVYPSCJYBHOD-GJZGRUSLSA-N 0 3 361.446 0.499 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cncc(C)c2)[n-]1 ZINC001130196209 1201533214 /nfs/dbraw/zinc/53/32/14/1201533214.db2.gz XESKXPSPQCNKAM-HOTGVXAUSA-N 0 3 368.441 0.924 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)on2)[n-]1 ZINC001130183249 1201535784 /nfs/dbraw/zinc/53/57/84/1201535784.db2.gz YGNDTBGDCJSJED-JSGCOSHPSA-N 0 3 358.402 0.517 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2ccoc2)[n-]1 ZINC001130204739 1201539665 /nfs/dbraw/zinc/53/96/65/1201539665.db2.gz IBAJBSPNGNYMQE-GJZGRUSLSA-N 0 3 357.414 0.742 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2ccc(C)o2)[n-]1 ZINC001130202623 1201548602 /nfs/dbraw/zinc/54/86/02/1201548602.db2.gz FTULRBWHWPLYIY-GJZGRUSLSA-N 0 3 357.414 0.660 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2Cc3ccccc32)[n-]1 ZINC001130238030 1201559854 /nfs/dbraw/zinc/55/98/54/1201559854.db2.gz PSWAINYOSRYMFN-BBWFWOEESA-N 0 3 365.437 0.856 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ncccc2OC)[n-]1 ZINC001130249039 1201568812 /nfs/dbraw/zinc/56/88/12/1201568812.db2.gz GYIJDIBUIYHNLI-JSGCOSHPSA-N 0 3 370.413 0.234 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccc(OC)c2)[n-]1 ZINC001130251385 1201570345 /nfs/dbraw/zinc/57/03/45/1201570345.db2.gz QZSYELWUVHDBFX-HOTGVXAUSA-N 0 3 369.425 0.839 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CNC(=O)C2CC2)CC1 ZINC001130274644 1201575252 /nfs/dbraw/zinc/57/52/52/1201575252.db2.gz XFBNCFQSPLJCNC-QAPCUYQASA-N 0 3 362.474 0.174 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCn2ccnn2)CC1 ZINC001130286125 1201576670 /nfs/dbraw/zinc/57/66/70/1201576670.db2.gz YIPJFYAEQDROII-QAPCUYQASA-N 0 3 360.462 0.330 20 30 FCEDHN CN(C)[C@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(CC#N)CC1)C1CC1 ZINC001130292791 1201578836 /nfs/dbraw/zinc/57/88/36/1201578836.db2.gz BNVVWKBLSGNHMF-NJAFHUGGSA-N 0 3 361.490 0.326 20 30 FCEDHN CCCCCCCN1C[C@@H](NC(=O)[C@@H]2Cc3cncn3C(=O)N2)[C@@H](O)C1 ZINC001220047587 1224736441 /nfs/dbraw/zinc/73/64/41/1224736441.db2.gz FNZNNZSPZSDJQT-XHSDSOJGSA-N 0 3 363.462 0.497 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCc2cccnc2)C1 ZINC001130592814 1202726660 /nfs/dbraw/zinc/72/66/60/1202726660.db2.gz FWNMZQZMOGKFEI-VDZJLULYSA-N 0 3 367.453 0.938 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CNC(=O)c2ccncc2)C[C@H]1c1cn(C)cn1 ZINC001130596451 1202727819 /nfs/dbraw/zinc/72/78/19/1202727819.db2.gz BOSBHZINUQTTJT-DOTOQJQBSA-N 0 3 368.441 0.315 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCn3ccnc3C2)C[C@H]1c1cn(C)cn1 ZINC001130617037 1202736980 /nfs/dbraw/zinc/73/69/80/1202736980.db2.gz PSYMBEHZUVRJPE-SOLBZPMBSA-N 0 3 366.469 0.787 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)COCc2cc[nH]c(=O)c2)C[C@H]1c1cn(C)cn1 ZINC001130617194 1202737412 /nfs/dbraw/zinc/73/74/12/1202737412.db2.gz SGOUCWWVHMPDHP-DOTOQJQBSA-N 0 3 371.441 0.808 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(C)ncn3)n[n-]2)O1 ZINC001130777169 1202791085 /nfs/dbraw/zinc/79/10/85/1202791085.db2.gz UZHJJUBWRZUTKL-DZGCQCFKSA-N 0 3 369.429 0.666 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cc(C)ncn3)n2)O1 ZINC001130777169 1202791087 /nfs/dbraw/zinc/79/10/87/1202791087.db2.gz UZHJJUBWRZUTKL-DZGCQCFKSA-N 0 3 369.429 0.666 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cncc(C)c3)n[n-]2)O1 ZINC001130794079 1202794884 /nfs/dbraw/zinc/79/48/84/1202794884.db2.gz LQAANQHJKTYTTI-JKSUJKDBSA-N 0 3 368.441 0.810 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@]34C[C@H]3COC4)n[n-]2)O1 ZINC001130787154 1202796591 /nfs/dbraw/zinc/79/65/91/1202796591.db2.gz BRBRMMWZARXGRR-FLTUCWPJSA-N 0 3 359.430 0.290 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@]34C[C@H]3COC4)n2)O1 ZINC001130787154 1202796594 /nfs/dbraw/zinc/79/65/94/1202796594.db2.gz BRBRMMWZARXGRR-FLTUCWPJSA-N 0 3 359.430 0.290 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccnc(OC)c3)n[n-]2)O1 ZINC001130792706 1202800028 /nfs/dbraw/zinc/80/00/28/1202800028.db2.gz SYSBIPXAWYOJOK-UONOGXRCSA-N 0 3 370.413 0.581 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3ccnc(OC)c3)n2)O1 ZINC001130792706 1202800030 /nfs/dbraw/zinc/80/00/30/1202800030.db2.gz SYSBIPXAWYOJOK-UONOGXRCSA-N 0 3 370.413 0.581 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3c[nH]nc3CC)n[n-]2)O1 ZINC001130792542 1202800193 /nfs/dbraw/zinc/80/01/93/1202800193.db2.gz JHLQZDSHOJWZKI-SWLSCSKDSA-N 0 3 371.445 0.853 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)c3cnn(C)c3)n[n-]2)O1 ZINC001130823860 1202804368 /nfs/dbraw/zinc/80/43/68/1202804368.db2.gz YYGXFDMRLSKWIW-VHDGCEQUSA-N 0 3 371.445 0.401 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@H](C)c3cnn(C)c3)n2)O1 ZINC001130823860 1202804369 /nfs/dbraw/zinc/80/43/69/1202804369.db2.gz YYGXFDMRLSKWIW-VHDGCEQUSA-N 0 3 371.445 0.401 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cnn(CC)c3)n[n-]2)O1 ZINC001130816472 1202807139 /nfs/dbraw/zinc/80/71/39/1202807139.db2.gz XZFNVNCDRMDWFR-LSDHHAIUSA-N 0 3 371.445 0.323 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)Cc3cnn(CC)c3)n2)O1 ZINC001130816472 1202807144 /nfs/dbraw/zinc/80/71/44/1202807144.db2.gz XZFNVNCDRMDWFR-LSDHHAIUSA-N 0 3 371.445 0.323 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)COc3ccccc3)n[n-]2)O1 ZINC001130817478 1202808507 /nfs/dbraw/zinc/80/85/07/1202808507.db2.gz PKUOTWARRJDRNN-JKSUJKDBSA-N 0 3 369.425 0.943 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)COc3ccccc3)n2)O1 ZINC001130817478 1202808509 /nfs/dbraw/zinc/80/85/09/1202808509.db2.gz PKUOTWARRJDRNN-JKSUJKDBSA-N 0 3 369.425 0.943 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccnc(C)n3)n[n-]2)O1 ZINC001130820346 1202809181 /nfs/dbraw/zinc/80/91/81/1202809181.db2.gz UGWAZTVMVJHWPK-DZGCQCFKSA-N 0 3 369.429 0.666 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3ccnc(C)n3)n2)O1 ZINC001130820346 1202809183 /nfs/dbraw/zinc/80/91/83/1202809183.db2.gz UGWAZTVMVJHWPK-DZGCQCFKSA-N 0 3 369.429 0.666 20 30 FCEDHN C#C[C@@H](NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1)[C@H]1CCCO1 ZINC000807297928 1202819264 /nfs/dbraw/zinc/81/92/64/1202819264.db2.gz OQHMRVVWTZYXSH-QZTJIDSGSA-N 0 3 369.465 0.499 20 30 FCEDHN CN(C)CCN(CCc1ccccc1)C(=O)NCCn1cnc(C#N)n1 ZINC000807511196 1202832666 /nfs/dbraw/zinc/83/26/66/1202832666.db2.gz VXCJIXRZLPFZQE-UHFFFAOYSA-N 0 3 355.446 0.966 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1c1cncn1C ZINC001131014813 1202845648 /nfs/dbraw/zinc/84/56/48/1202845648.db2.gz HUVWJCQNXWEWKO-YFHUEUNASA-N 0 3 359.474 0.047 20 30 FCEDHN C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1c1cncn1C ZINC001131051859 1202854559 /nfs/dbraw/zinc/85/45/59/1202854559.db2.gz XNFGVEQJHHGUJW-ZIAGYGMSSA-N 0 3 356.430 0.998 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H](C)N(C)CC(F)(F)F)C[C@H]1c1cncn1C 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1224016252 /nfs/dbraw/zinc/01/62/52/1224016252.db2.gz OWMPRGOWJIAVIS-BZUAXINKSA-N 0 3 368.478 0.237 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2[nH]nc(C(F)(F)F)c2C)C[C@H]1C ZINC001215774047 1224017008 /nfs/dbraw/zinc/01/70/08/1224017008.db2.gz IPCASALPLNSNTB-MWLCHTKSSA-N 0 3 371.363 0.536 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C(C)(C)NC(=O)NCC)C[C@H]1C ZINC001215767250 1224017028 /nfs/dbraw/zinc/01/70/28/1224017028.db2.gz POFDONUEMZFTAP-MGPQQGTHSA-N 0 3 367.494 0.211 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2c[nH]c(=O)c3ccccc23)C[C@H]1C ZINC001215785544 1224017789 /nfs/dbraw/zinc/01/77/89/1224017789.db2.gz XXRSNCVOGOICMX-CXAGYDPISA-N 0 3 366.421 0.740 20 30 FCEDHN C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)N(CC)CC)C2)nn1 ZINC001215832440 1224019699 /nfs/dbraw/zinc/01/96/99/1224019699.db2.gz JUCLOTVQMVVPOM-QLFBSQMISA-N 0 3 362.478 0.771 20 30 FCEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NC)C1 ZINC001215851572 1224021006 /nfs/dbraw/zinc/02/10/06/1224021006.db2.gz PODSVERPGYUAPU-CTASWTNQSA-N 0 3 366.462 0.250 20 30 FCEDHN C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N[C@H](C)CC)C2)nn1 ZINC001215858261 1224021165 /nfs/dbraw/zinc/02/11/65/1224021165.db2.gz JEDSSIYXIQLQLW-RBSFLKMASA-N 0 3 362.478 0.819 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cnn3cccc(OC)c23)C[C@H]1C ZINC001215948822 1224026217 /nfs/dbraw/zinc/02/62/17/1224026217.db2.gz FDINOPTWSILUFE-UKRRQHHQSA-N 0 3 369.425 0.142 20 30 FCEDHN COc1ccc2c(C(=O)N3C[C@@H](C)[C@H](NCC(=O)NCC#N)C3)cnn2c1 ZINC001215953230 1224027295 /nfs/dbraw/zinc/02/72/95/1224027295.db2.gz WIACWRAWCQBKIM-IUODEOHRSA-N 0 3 370.413 0.033 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2c[nH]nc2-c2cccnc2)C[C@H]1C ZINC001215964505 1224027978 /nfs/dbraw/zinc/02/79/78/1224027978.db2.gz CJNCBXWQKGIERJ-CZUORRHYSA-N 0 3 368.441 0.824 20 30 FCEDHN C[C@@H]1CN(C(=O)c2cnon2)C[C@H]1NCC(=O)NCC#Cc1ccccc1 ZINC001216012182 1224030036 /nfs/dbraw/zinc/03/00/36/1224030036.db2.gz IRTITWRJQIGSNE-RHSMWYFYSA-N 0 3 367.409 0.288 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cn(CCC)nc2C)C[C@H]1C ZINC001216053263 1224031542 /nfs/dbraw/zinc/03/15/42/1224031542.db2.gz HYIWXCXTBGZBFB-UKPHBRMFSA-N 0 3 359.474 0.790 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cccc3nccnc32)C[C@H]1C ZINC001216050822 1224031631 /nfs/dbraw/zinc/03/16/31/1224031631.db2.gz YNYOEFKCJXGTGN-CZUORRHYSA-N 0 3 351.410 0.429 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnn(CCC)c2C)C[C@H]1C ZINC001216053741 1224031773 /nfs/dbraw/zinc/03/17/73/1224031773.db2.gz WSCMNTOUERRSBE-JKIFEVAISA-N 0 3 359.474 0.790 20 30 FCEDHN CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1)c1cccnc1 ZINC001216077727 1224033218 /nfs/dbraw/zinc/03/32/18/1224033218.db2.gz NDDKUYQKAQMNQA-KYJSFNMBSA-N 0 3 357.458 0.897 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cn3nccc3nc2C)C[C@H]1C ZINC001216133048 1224035987 /nfs/dbraw/zinc/03/59/87/1224035987.db2.gz SPDYVTYZMQPKIJ-IVMMDQJWSA-N 0 3 370.457 0.779 20 30 FCEDHN CCOc1nc(C)ccc1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1 ZINC001216140604 1224036637 /nfs/dbraw/zinc/03/66/37/1224036637.db2.gz QSSNVAOQRYMUPG-IUODEOHRSA-N 0 3 359.430 0.479 20 30 FCEDHN C[C@@H]1CN(C(=O)c2ccnc(C(F)(F)F)c2)C[C@H]1NCC(=O)NCC#N ZINC001216197203 1224038764 /nfs/dbraw/zinc/03/87/64/1224038764.db2.gz NHYLISFGJBFOQJ-ZYHUDNBSSA-N 0 3 369.347 0.790 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2nccn3cc(C)nc23)C[C@H]1C ZINC001216252457 1224040682 /nfs/dbraw/zinc/04/06/82/1224040682.db2.gz QGWFKTUSYGDOTH-VHDGCEQUSA-N 0 3 368.441 0.226 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnn(C(C)C)c2C)C[C@H]1C ZINC001216319739 1224044008 /nfs/dbraw/zinc/04/40/08/1224044008.db2.gz FINDSNBSLJLXDM-CKEIUWERSA-N 0 3 359.474 0.960 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)NC(=O)CC(C)(C)C)C[C@H]1C ZINC001216331525 1224044914 /nfs/dbraw/zinc/04/49/14/1224044914.db2.gz DDYVBGKVUVXBMM-RBSFLKMASA-N 0 3 364.490 0.113 20 30 FCEDHN C[C@@H]1CN(C(=O)CCCOC2CCOCC2)C[C@H]1NCC(=O)NCC#N ZINC001216327469 1224044974 /nfs/dbraw/zinc/04/49/74/1224044974.db2.gz VLYUPAPJDVFTSW-GDBMZVCRSA-N 0 3 366.462 0.038 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(-n3ccnn3)cc2)C[C@H]1C ZINC001216356497 1224046055 /nfs/dbraw/zinc/04/60/55/1224046055.db2.gz CPUXUMDLEKFSCZ-RHSMWYFYSA-N 0 3 368.441 0.620 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cn(C(C)C)nc2C)C[C@H]1C ZINC001216365866 1224046269 /nfs/dbraw/zinc/04/62/69/1224046269.db2.gz FOESBZSLYAKTQB-FRFSOERESA-N 0 3 359.474 0.960 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cccc(NC(C)=O)c2C)C[C@H]1C ZINC001216383518 1224048318 /nfs/dbraw/zinc/04/83/18/1224048318.db2.gz NKJAFKJFRQUJAD-FZKQIMNGSA-N 0 3 370.453 0.753 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2c[nH]c3cccnc32)C[C@H]1C ZINC001216401866 1224048772 /nfs/dbraw/zinc/04/87/72/1224048772.db2.gz PVMXIOMMNROLEY-XJKCOSOUSA-N 0 3 353.426 0.751 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cn2cc3ccccc3n2)C[C@H]1C ZINC001216428670 1224050021 /nfs/dbraw/zinc/05/00/21/1224050021.db2.gz MCDRUFVKNNNFDD-IIDMSEBBSA-N 0 3 367.453 0.611 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnn3ccc(C)nc23)C[C@H]1C ZINC001216425648 1224050221 /nfs/dbraw/zinc/05/02/21/1224050221.db2.gz ZOXPTMPDHDYNFF-XNRPHZJLSA-N 0 3 370.457 0.779 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2ccc(OC)cc2)C[C@H]1C ZINC001216539831 1224054810 /nfs/dbraw/zinc/05/48/10/1224054810.db2.gz SGMXYKBMRFBESR-IIDMSEBBSA-N 0 3 357.454 0.812 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cccc(N(C)C)c2)C[C@H]1C ZINC001216547413 1224055253 /nfs/dbraw/zinc/05/52/53/1224055253.db2.gz AMCGSUHNPHXMBX-RVKKMQEKSA-N 0 3 356.470 0.941 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)COC[C@H](C)c2ccccc2)C[C@H]1C ZINC001216611599 1224058549 /nfs/dbraw/zinc/05/85/49/1224058549.db2.gz OBELVJKATMVFKP-ZIFCJYIRSA-N 0 3 371.481 0.993 20 30 FCEDHN C[C@@H]1CN(C(=O)C[C@@H]2OCc3ccccc32)C[C@H]1NCC(=O)NCC#N ZINC001216607022 1224058729 /nfs/dbraw/zinc/05/87/29/1224058729.db2.gz BFMHKKLUCGPDNV-XYPHTWIQSA-N 0 3 356.426 0.724 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(OC)c(OC)c2)C[C@H]1C ZINC001216636423 1224059905 /nfs/dbraw/zinc/05/99/05/1224059905.db2.gz BXLMZWVWNMGTQH-UKRRQHHQSA-N 0 3 359.426 0.503 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@H]1C ZINC001216647577 1224059990 /nfs/dbraw/zinc/05/99/90/1224059990.db2.gz LJKVUPQGHOBCDZ-UKRRQHHQSA-N 0 3 359.430 0.599 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccc3c(c2)N(C)CC3)C[C@H]1C ZINC001216633191 1224060076 /nfs/dbraw/zinc/06/00/76/1224060076.db2.gz NWWQGFPXTKTPQP-RVKKMQEKSA-N 0 3 368.481 0.867 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc3nccnc3c2)C[C@H]1C ZINC001216710650 1224063079 /nfs/dbraw/zinc/06/30/79/1224063079.db2.gz PDJSSHCLULAFQH-CXAGYDPISA-N 0 3 353.426 0.982 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc3nccnc3c2)C[C@H]1C ZINC001216710788 1224063200 /nfs/dbraw/zinc/06/32/00/1224063200.db2.gz WXWIZYTYXGHHFS-CXAGYDPISA-N 0 3 351.410 0.429 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)COc2ccc(F)cc2)C[C@H]1C ZINC001216729380 1224065234 /nfs/dbraw/zinc/06/52/34/1224065234.db2.gz PTDBHDQYTOSMLY-JKIFEVAISA-N 0 3 361.417 0.779 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc3c(c2)nnn3CC)C[C@H]1C ZINC001216731385 1224065759 /nfs/dbraw/zinc/06/57/59/1224065759.db2.gz LVHHBMRMSRSECL-CZUORRHYSA-N 0 3 370.457 0.804 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)COc2cc(C)cc(C)c2)C[C@H]1C ZINC001216738628 1224066803 /nfs/dbraw/zinc/06/68/03/1224066803.db2.gz QDVZPJRWXVHWQO-SJLPKXTDSA-N 0 3 357.454 0.868 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)COc2ccccc2)C[C@H]1C ZINC001216764507 1224069860 /nfs/dbraw/zinc/06/98/60/1224069860.db2.gz AZHGMYHEKQTHSV-SOLBZPMBSA-N 0 3 357.454 0.887 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CCCOC2)C[C@H]1C ZINC001216764748 1224069959 /nfs/dbraw/zinc/06/99/59/1224069959.db2.gz JWORNFIOGHORFY-QLFBSQMISA-N 0 3 366.462 0.251 20 30 FCEDHN C[C@@H]1CN(C(=O)[C@@H]2Cc3cccc(F)c3O2)C[C@H]1NCC(=O)NCC#N ZINC001216796827 1224073067 /nfs/dbraw/zinc/07/30/67/1224073067.db2.gz GMPDAPOSJCGNPT-DFBGVHRSSA-N 0 3 360.389 0.205 20 30 FCEDHN C=C[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NC)C1)c1ccccc1 ZINC001216811649 1224074227 /nfs/dbraw/zinc/07/42/27/1224074227.db2.gz OPEOFFWHLWNCOW-VNQPRFMTSA-N 0 3 358.442 0.848 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2[nH]nc3ccccc32)C[C@H]1C ZINC001216830400 1224076076 /nfs/dbraw/zinc/07/60/76/1224076076.db2.gz PAQFLYNKQFMYID-HBUWYVDXSA-N 0 3 367.453 0.680 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(OCC3CC3)nc2)C[C@H]1C ZINC001216841259 1224078021 /nfs/dbraw/zinc/07/80/21/1224078021.db2.gz SDBWYWUKZNMACQ-RHSMWYFYSA-N 0 3 370.453 0.670 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc3c(C)nn(C)c3n2)C[C@H]1C ZINC001216850271 1224078573 /nfs/dbraw/zinc/07/85/73/1224078573.db2.gz HJALLGYCAVSOKY-MLGOLLRUSA-N 0 3 368.441 0.076 20 30 FCEDHN C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)N(C)C)C[C@H]1NCC(=O)NCC#N ZINC001216850987 1224078941 /nfs/dbraw/zinc/07/89/41/1224078941.db2.gz VTTWDVJPQUFPBN-QGPMSJSTSA-N 0 3 357.458 0.366 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2c[nH]c3ncccc23)C[C@H]1C ZINC001216865838 1224080055 /nfs/dbraw/zinc/08/00/55/1224080055.db2.gz HKUIRMOYWSJTRI-CKEIUWERSA-N 0 3 367.453 0.680 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)Cc2ccc(C(N)=O)cc2)C[C@H]1C ZINC001216880620 1224080122 /nfs/dbraw/zinc/08/01/22/1224080122.db2.gz HITPPPMDOJSUIH-CZUORRHYSA-N 0 3 358.442 0.067 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001216894080 1224080678 /nfs/dbraw/zinc/08/06/78/1224080678.db2.gz LZVNUBBNMGSICQ-IUODEOHRSA-N 0 3 370.413 0.649 20 30 FCEDHN C=CCCOCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(=O)NCC=C)C1 ZINC001216942363 1224081686 /nfs/dbraw/zinc/08/16/86/1224081686.db2.gz ZUBRLYXOZGCMNP-RBSFLKMASA-N 0 3 366.462 0.416 20 30 FCEDHN C=CCCOCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC001216936809 1224081803 /nfs/dbraw/zinc/08/18/03/1224081803.db2.gz ZTJTWHLQAGSQOJ-QLFBSQMISA-N 0 3 368.478 0.638 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@]2(C)OCCc3ccccc32)C[C@H]1C ZINC001216999807 1224083962 /nfs/dbraw/zinc/08/39/62/1224083962.db2.gz BORXEEOXTVYUIJ-FPDPHYFHSA-N 0 3 369.465 0.660 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnc(C(C)(C)C)nc2)C[C@H]1C ZINC001217066390 1224087619 /nfs/dbraw/zinc/08/76/19/1224087619.db2.gz MVODLRITCOZHQH-IJEWVQPXSA-N 0 3 371.485 0.962 20 30 FCEDHN CCOCCCNC(=O)C(C#N)C(=O)Cn1nnc2ccccc2c1=O ZINC000916869673 1245540969 /nfs/dbraw/zinc/54/09/69/1245540969.db2.gz ZOLGEBMFYRABBA-CYBMUJFWSA-N 0 3 357.370 0.043 20 30 FCEDHN COCCCNC(=O)C(C#N)C(=O)CCc1nc(-c2ccccn2)no1 ZINC000916870195 1245541174 /nfs/dbraw/zinc/54/11/74/1245541174.db2.gz CFBDWEYGPQSHKV-GFCCVEGCSA-N 0 3 357.370 0.926 20 30 FCEDHN CCOCCCNC(=O)C(C#N)C(=O)Cn1ncc2ccccc2c1=O ZINC000916869271 1245541441 /nfs/dbraw/zinc/54/14/41/1245541441.db2.gz VLJFQNPVESASCS-HNNXBMFYSA-N 0 3 356.382 0.648 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCO[C@H]3C=C)C2)CC1 ZINC000938096570 1245819854 /nfs/dbraw/zinc/81/98/54/1245819854.db2.gz IQMKYPBRWYGVPP-KSZLIROESA-N 0 3 359.470 0.640 20 30 FCEDHN C#CCN1CCC(C(=O)NC[C@@H]2CN(C(=O)c3cncn3C)C[C@H]2C)CC1 ZINC000994138996 1250218527 /nfs/dbraw/zinc/21/85/27/1250218527.db2.gz HGMPSWIFCDGGTK-NVXWUHKLSA-N 0 3 371.485 0.590 20 30 FCEDHN CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000942126209 1246992515 /nfs/dbraw/zinc/99/25/15/1246992515.db2.gz OLOKQHGLNHTZMA-IAOVAPTHSA-N 0 3 358.442 0.863 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C(C)C)C[C@H]2OC)CC1 ZINC000942128729 1246993368 /nfs/dbraw/zinc/99/33/68/1246993368.db2.gz QISWUTCCVATYDT-KBAYOESNSA-N 0 3 363.502 0.966 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)C3CCCC3)C[C@H]2OC)CC1 ZINC000942129025 1246994229 /nfs/dbraw/zinc/99/42/29/1246994229.db2.gz VNQDQHGXSKAZBZ-QZTJIDSGSA-N 0 3 361.486 0.864 20 30 FCEDHN CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC000943437275 1247325873 /nfs/dbraw/zinc/32/58/73/1247325873.db2.gz USSGVKSKDNKFCQ-LMMKCTJWSA-N 0 3 359.470 0.616 20 30 FCEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@H]2OC)cc1 ZINC000944337359 1247534613 /nfs/dbraw/zinc/53/46/13/1247534613.db2.gz PXUXRFWVCOXRPZ-KZNAEPCWSA-N 0 3 357.454 0.964 20 30 FCEDHN C#CCN1CCC(C(=O)NC[C@H]2CN(C(=O)[C@@H]3C[C@H]3CC)CCO2)CC1 ZINC000944629231 1247590924 /nfs/dbraw/zinc/59/09/24/1247590924.db2.gz XEDGQZKWTAAPTJ-BPQIPLTHSA-N 0 3 361.486 0.721 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2[nH]cnc2C)CC1 ZINC000997357702 1251558299 /nfs/dbraw/zinc/55/82/99/1251558299.db2.gz NORSWOUODCNKLT-IKGGRYGDSA-N 0 3 369.469 0.925 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ncccn2)CC1 ZINC000997358099 1251558670 /nfs/dbraw/zinc/55/86/70/1251558670.db2.gz WOXGXKOFCOQNNW-IKGGRYGDSA-N 0 3 367.453 0.684 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CC(C)(C)O)CC1 ZINC000997357803 1251558813 /nfs/dbraw/zinc/55/88/13/1251558813.db2.gz PQZPXBVAOYGWTA-IKGGRYGDSA-N 0 3 361.486 0.741 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C)n[nH]2)CC1 ZINC000997356249 1251559368 /nfs/dbraw/zinc/55/93/68/1251559368.db2.gz BNSZZAFEQBSYOI-RYRKJORJSA-N 0 3 369.469 0.925 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C)[nH]n2)CC1 ZINC000997356249 1251559376 /nfs/dbraw/zinc/55/93/76/1251559376.db2.gz BNSZZAFEQBSYOI-RYRKJORJSA-N 0 3 369.469 0.925 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](C(C)C)N(C)C ZINC000997769144 1251697467 /nfs/dbraw/zinc/69/74/67/1251697467.db2.gz HRXYLMWJBSZJIQ-HVMFNXBNSA-N 0 3 374.529 0.918 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cn[nH]c2)CC1 ZINC001003363741 1252874002 /nfs/dbraw/zinc/87/40/02/1252874002.db2.gz UAQDGVDGABPELZ-ZACQAIPSSA-N 0 3 355.442 0.617 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1c[nH]cn1 ZINC001003677049 1253056004 /nfs/dbraw/zinc/05/60/04/1253056004.db2.gz RFJXCAJNWPAWGO-NCOADZHNSA-N 0 3 355.442 0.298 20 30 FCEDHN C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2[n-]nnc2C)C3)CC1 ZINC001004884819 1253424910 /nfs/dbraw/zinc/42/49/10/1253424910.db2.gz QZVGZMRYXFECCQ-OAGGEKHMSA-N 0 3 370.457 0.320 20 30 FCEDHN Cn1c(-c2cn(CCCC#N)nn2)nnc1N1CCN(CC2CC2)CC1 ZINC001520083860 1265844966 /nfs/dbraw/zinc/84/49/66/1265844966.db2.gz GCUPGPTYZCKRPM-UHFFFAOYSA-N 0 3 355.450 0.909 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C(C)(C)N(C)CC)CCO1 ZINC001065291539 1254500978 /nfs/dbraw/zinc/50/09/78/1254500978.db2.gz VSJNSLGHQAMHBJ-OAGGEKHMSA-N 0 3 367.490 0.651 20 30 FCEDHN C=CCn1c([C@H](O)C2CC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001520216716 1265879492 /nfs/dbraw/zinc/87/94/92/1265879492.db2.gz VCDTUGGWWDWXLD-JKSUJKDBSA-N 0 3 374.489 0.650 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(Cc3ccc(CO)cc3)C[C@H]2O)CC1 ZINC001078227248 1255339467 /nfs/dbraw/zinc/33/94/67/1255339467.db2.gz PYFBNCIUGIDDGL-WOJBJXKFSA-N 0 3 371.481 0.185 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(Cc3cncc(F)c3)C[C@H]2O)CC1 ZINC001078228133 1255342480 /nfs/dbraw/zinc/34/24/80/1255342480.db2.gz DZHYPSXQMALFQD-QZTJIDSGSA-N 0 3 360.433 0.227 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(Cc3conc3CC)C[C@H]2O)CC1 ZINC001078228573 1255343512 /nfs/dbraw/zinc/34/35/12/1255343512.db2.gz WDQALUYQUADFJH-QZTJIDSGSA-N 0 3 360.458 0.244 20 30 FCEDHN C=CCCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCNC2=O)C1 ZINC001079140441 1255453229 /nfs/dbraw/zinc/45/32/29/1255453229.db2.gz IQRDVHWBWZXOCY-RCCFBDPRSA-N 0 3 357.454 0.773 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@H](C)N2C(=O)CCC2=O)C[C@H]1c1cccc(F)c1 ZINC001079186420 1255468673 /nfs/dbraw/zinc/46/86/73/1255468673.db2.gz KNVBFDTXQIUQFS-RRQGHBQHSA-N 0 3 371.412 0.880 20 30 FCEDHN CC#CCN1CCC2(CN(C(=O)[C@@H]3CN(C)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079231250 1255479647 /nfs/dbraw/zinc/47/96/47/1255479647.db2.gz AFKWOJYLGHMZOJ-KSZLIROESA-N 0 3 361.486 0.280 20 30 FCEDHN CC#CCN1CCC2(CN(C(=O)[C@H](C)n3cncn3)[C@@H]3COC[C@@H]32)CC1 ZINC001079237314 1255481514 /nfs/dbraw/zinc/48/15/14/1255481514.db2.gz ZCZJFRDSEDGDDT-YESZJQIVSA-N 0 3 357.458 0.802 20 30 FCEDHN C#CCN1CCC2(CN(C(=O)c3cnc(N(C)C)cn3)[C@@H]3COC[C@@H]32)CC1 ZINC001079241852 1255483737 /nfs/dbraw/zinc/48/37/37/1255483737.db2.gz GEBMBWQQQZJUPO-DOTOQJQBSA-N 0 3 369.469 0.729 20 30 FCEDHN CC#CC[NH+]1CCC2(CN(C(=O)c3cnc[n-]c3=O)[C@@H]3COC[C@@H]32)CC1 ZINC001079247308 1255486479 /nfs/dbraw/zinc/48/64/79/1255486479.db2.gz XEVVGEDGOOFNNO-JKSUJKDBSA-N 0 3 356.426 0.759 20 30 FCEDHN CC#CCN1CCC2(CN(C(=O)c3ccc(=O)n(C)c3)[C@@H]3COC[C@@H]32)CC1 ZINC001079250015 1255486875 /nfs/dbraw/zinc/48/68/75/1255486875.db2.gz GVHSIARDPYCQFL-ZWKOTPCHSA-N 0 3 369.465 0.962 20 30 FCEDHN CC#CCN1CCC2(CN(C(=O)c3c[nH]c(=O)n3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079254830 1255489837 /nfs/dbraw/zinc/48/98/37/1255489837.db2.gz YDJPKUQLGCOWLH-GOEBONIOSA-N 0 3 358.442 0.702 20 30 FCEDHN C#CCN1CCC2(CN(C(=O)c3cncc(OC)n3)[C@@H]3COC[C@@H]32)CC1 ZINC001079265542 1255494040 /nfs/dbraw/zinc/49/40/40/1255494040.db2.gz OIOZNTNSORFSDW-GOEBONIOSA-N 0 3 356.426 0.671 20 30 FCEDHN C=CCN1CCC2(CN(C(=O)c3c[nH]c(C(N)=O)c3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273955 1255498491 /nfs/dbraw/zinc/49/84/91/1255498491.db2.gz YFFWPTKVQCOQCN-GOEBONIOSA-N 0 3 358.442 0.853 20 30 FCEDHN C=CCN1CCC2(CN(C(=O)[C@H]3CCC(=O)N(C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079274069 1255498647 /nfs/dbraw/zinc/49/86/47/1255498647.db2.gz FHBCJJSZCPVSRT-YESZJQIVSA-N 0 3 361.486 0.980 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN([C@@H](C)C(=O)NC3CC3)C[C@H]2C)CC1 ZINC001080992787 1256129626 /nfs/dbraw/zinc/12/96/26/1256129626.db2.gz ZENREBPSADZDOU-RVKKMQEKSA-N 0 3 360.502 0.435 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC1(CO)CCN(C(=O)CN2CCCC2)CC1 ZINC001081010928 1256143527 /nfs/dbraw/zinc/14/35/27/1256143527.db2.gz YCSJLKALHBPFQI-CVEARBPZSA-N 0 3 365.474 0.143 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1c1ccccc1 ZINC001081151978 1256192789 /nfs/dbraw/zinc/19/27/89/1256192789.db2.gz XQYCVXMNRHMIKT-DLBZAZTESA-N 0 3 353.426 0.189 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1c1ccccc1 ZINC001081213521 1256207606 /nfs/dbraw/zinc/20/76/06/1256207606.db2.gz BNFGRAZLVBTNKX-JKSUJKDBSA-N 0 3 354.410 0.098 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1c1ccccc1 ZINC001081219446 1256209898 /nfs/dbraw/zinc/20/98/98/1256209898.db2.gz CIQXKHLJPSDDRZ-JKSUJKDBSA-N 0 3 368.437 0.534 20 30 FCEDHN CO[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001081507493 1256276003 /nfs/dbraw/zinc/27/60/03/1256276003.db2.gz YYYXBXRHCRAZHR-DAXOMENPSA-N 0 3 359.430 0.232 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccc(OCC(N)=O)cc2)[C@H](OC)C1 ZINC001081920599 1256451698 /nfs/dbraw/zinc/45/16/98/1256451698.db2.gz HNFMGFKBGUAZAR-IAGOWNOFSA-N 0 3 361.442 0.946 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)[C@H](OC)C1 ZINC001082223475 1256596693 /nfs/dbraw/zinc/59/66/93/1256596693.db2.gz YQZPGABZTGZXSE-DODZYUBVSA-N 0 3 372.469 0.993 20 30 FCEDHN COc1ccc(C#N)cc1CN[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1C ZINC001082430601 1256761852 /nfs/dbraw/zinc/76/18/52/1256761852.db2.gz USHYOOOOVQGSLF-MZMPZRCHSA-N 0 3 359.426 0.919 20 30 FCEDHN C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1N[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC001082504747 1256791349 /nfs/dbraw/zinc/79/13/49/1256791349.db2.gz DRIOIVZLPINHFO-FHLIZLRMSA-N 0 3 369.469 0.765 20 30 FCEDHN C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)Cc3cnn(C)c3C)C[C@H]2C)C1=O ZINC001082552320 1256844792 /nfs/dbraw/zinc/84/47/92/1256844792.db2.gz ONCHIYTVSUUEAV-KBRIMQKVSA-N 0 3 359.474 0.494 20 30 FCEDHN C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)c3cnc4n[nH]nc4c3)C[C@H]2C)C1=O ZINC001082563061 1256862307 /nfs/dbraw/zinc/86/23/07/1256862307.db2.gz BBIXJDWMVDVKBI-UXIGCNINSA-N 0 3 369.429 0.190 20 30 FCEDHN C=CCN1CC[C@H](N[C@@H]2CN(C(=O)c3cc(OCC)n[nH]3)C[C@H]2C)C1=O ZINC001082585452 1256901238 /nfs/dbraw/zinc/90/12/38/1256901238.db2.gz IZPSWSPCWXPAQJ-VNHYZAJKSA-N 0 3 361.446 0.645 20 30 FCEDHN C=CCN1CC[C@H](N[C@@H]2CN(C(=O)c3ccnc(OC)c3)C[C@H]2C)C1=O ZINC001082611355 1256921569 /nfs/dbraw/zinc/92/15/69/1256921569.db2.gz DFESJGUSGXXAED-VNQPRFMTSA-N 0 3 358.442 0.927 20 30 FCEDHN C=CCN1CC[C@H](N[C@@H]2CN(C(=O)c3ncc(OC)cn3)C[C@H]2C)C1=O ZINC001082633695 1256941155 /nfs/dbraw/zinc/94/11/55/1256941155.db2.gz GAGSMESIWDWCBU-VHDGCEQUSA-N 0 3 359.430 0.322 20 30 FCEDHN C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)c3ccnc4n[nH]nc43)C[C@H]2C)C1=O ZINC001082634948 1256942099 /nfs/dbraw/zinc/94/20/99/1256942099.db2.gz QIIKWYHFTAFPMG-MRVWCRGKSA-N 0 3 369.429 0.190 20 30 FCEDHN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC001082683842 1256984124 /nfs/dbraw/zinc/98/41/24/1256984124.db2.gz ZNQCEFHQRPXXKR-RBSFLKMASA-N 0 3 364.490 0.359 20 30 FCEDHN C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)c3n[nH]c(CC)n3)C2)nn1 ZINC001082791184 1257053960 /nfs/dbraw/zinc/05/39/60/1257053960.db2.gz FIRIYHAGFDVMAT-JHJVBQTASA-N 0 3 358.450 0.956 20 30 FCEDHN C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)c3cn(CCC)nn3)C[C@H]2C)C1=O ZINC001082828308 1257086279 /nfs/dbraw/zinc/08/62/79/1257086279.db2.gz AMEQUQVBOJOTEY-RBSFLKMASA-N 0 3 360.462 0.525 20 30 FCEDHN C=CCN1CC[C@H](N[C@@H]2CN(C(=O)c3cnn(C)c3OC)C[C@H]2C)C1=O ZINC001082886272 1257124315 /nfs/dbraw/zinc/12/43/15/1257124315.db2.gz NGAWDAFCZOUMMH-VHDGCEQUSA-N 0 3 361.446 0.266 20 30 FCEDHN C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)Cn3ccccc3=O)C[C@H]2C)C1=O ZINC001082912101 1257139872 /nfs/dbraw/zinc/13/98/72/1257139872.db2.gz NZIPHGBPGNBGKZ-BZUAXINKSA-N 0 3 358.442 0.072 20 30 FCEDHN C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H](NCc3cnn(CC)n3)C2)CC1 ZINC001082941248 1257159571 /nfs/dbraw/zinc/15/95/71/1257159571.db2.gz ADCBUTYBCAOCMQ-CRAIPNDOSA-N 0 3 358.490 0.580 20 30 FCEDHN C=CCN1CC[C@H](N[C@@H]2CN(C(=O)c3ccc(N(C)C)cn3)C[C@H]2C)C1=O ZINC001082949817 1257164931 /nfs/dbraw/zinc/16/49/31/1257164931.db2.gz HMNPREWLONHXRW-FHLIZLRMSA-N 0 3 371.485 0.985 20 30 FCEDHN C=CCCn1cc(C(=O)N[C@@H]2CN(CCC3CCOCC3)C[C@@H]2O)nn1 ZINC001083849233 1257607251 /nfs/dbraw/zinc/60/72/51/1257607251.db2.gz UQBVEWDTGUTSCA-WBVHZDCISA-N 0 3 363.462 0.446 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(Cc3cncc(C)c3)C[C@@H]2O)CC1 ZINC001084089272 1257914262 /nfs/dbraw/zinc/91/42/62/1257914262.db2.gz ACPCGXSNKURGRH-MOPGFXCFSA-N 0 3 356.470 0.397 20 30 FCEDHN C=CCN1CC[C@H](N2CC[C@@H]3CN(C(=O)CN(C)C4CCC4)[C@@H]3C2)C1=O ZINC001084409786 1258088486 /nfs/dbraw/zinc/08/84/86/1258088486.db2.gz ILODCCOLGQUARK-BPQIPLTHSA-N 0 3 360.502 0.790 20 30 FCEDHN C=CCN1CC[C@H](N2CC[C@@H]3CCN(C(=O)c4nccnc4N)C[C@@H]32)C1=O ZINC001084907730 1258430473 /nfs/dbraw/zinc/43/04/73/1258430473.db2.gz NYDPUJKCCVQKCX-KKUMJFAQSA-N 0 3 370.457 0.382 20 30 FCEDHN O=C(C#CC1CC1)N1CC[C@H]2CCN(C[C@H](O)CN3CCCC3=O)[C@H]2C1 ZINC001084937810 1258451213 /nfs/dbraw/zinc/45/12/13/1258451213.db2.gz DWJKEXHKRXPTPB-SQNIBIBYSA-N 0 3 359.470 0.306 20 30 FCEDHN C=CCN1CC[C@@H](N2CC[C@@H]3CCN(C(=O)c4ccn(C)n4)C[C@@H]32)C1=O ZINC001085093216 1258586984 /nfs/dbraw/zinc/58/69/84/1258586984.db2.gz MXNYWMLPYMDGSM-UAGQMJEPSA-N 0 3 357.458 0.743 20 30 FCEDHN N#Cc1ccc(CN2CC[C@@H]3CN(C(=O)CCn4cnnn4)C[C@@H]3C2)cc1 ZINC001088150098 1258663024 /nfs/dbraw/zinc/66/30/24/1258663024.db2.gz LGHFWUDULIMSOS-MSOLQXFVSA-N 0 3 365.441 0.915 20 30 FCEDHN COc1ccc(CN2C[C@@H](CNC(=O)[C@H]3CCNC3=O)[C@H](C)C2)cc1C#N ZINC001092884603 1258886266 /nfs/dbraw/zinc/88/62/66/1258886266.db2.gz MXZKSDQBDOKREZ-XYPHTWIQSA-N 0 3 370.453 0.887 20 30 FCEDHN C#CCNC(=O)CC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H](NCC#C)C1 ZINC001100158564 1258906458 /nfs/dbraw/zinc/90/64/58/1258906458.db2.gz FKJNOZYVLQVRTA-ZWKOTPCHSA-N 0 3 353.422 0.352 20 30 FCEDHN CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCc3nnc[n-]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105613774 1258918253 /nfs/dbraw/zinc/91/82/53/1258918253.db2.gz BSOJLRJJYGQQOY-RGCFKVTRSA-N 0 3 359.474 0.727 20 30 FCEDHN CCNC(=O)CN[C@@H]1C[C@]2(CN(C(=O)C#CC3CC3)[C@H]2C(C)C)C[C@H]1O ZINC001105628505 1258919649 /nfs/dbraw/zinc/91/96/49/1258919649.db2.gz WEARNFZNCWCGQD-YAJHFMINSA-N 0 3 361.486 0.502 20 30 FCEDHN C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3cnc[n-]c3=O)[C@@H]2C(C)C)C[C@H]1O ZINC001105637777 1258921018 /nfs/dbraw/zinc/92/10/18/1258921018.db2.gz VOFZQGKRWGTILD-YKTARERQSA-N 0 3 358.442 0.785 20 30 FCEDHN C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C ZINC001106781624 1258962402 /nfs/dbraw/zinc/96/24/02/1258962402.db2.gz FCOOMVDOAVTBSR-QLFBSQMISA-N 0 3 362.478 0.916 20 30 FCEDHN C=C(C)CN(CC)C(=O)CN1CC[C@@]2(CNC(=O)CC(N)=O)CCC[C@@H]12 ZINC001107347993 1259056607 /nfs/dbraw/zinc/05/66/07/1259056607.db2.gz MNBSSOGDMXYHCY-DNVCBOLYSA-N 0 3 364.490 0.647 20 30 FCEDHN C#CCNC(=O)CN1CC[C@@]2(CNC(=O)[C@H]3CCCCN3C)CCC[C@@H]12 ZINC001107449258 1259092685 /nfs/dbraw/zinc/09/26/85/1259092685.db2.gz BUXIDTXQIKTCPK-MBOZVWFJSA-N 0 3 360.502 0.581 20 30 FCEDHN C=CCNC(=O)CN1CC[C@@]2(CNC(=O)CCn3ccnc3)CCC[C@@H]12 ZINC001107491922 1259102288 /nfs/dbraw/zinc/10/22/88/1259102288.db2.gz OXGSTJNFZTUAQZ-VQIMIIECSA-N 0 3 359.474 0.936 20 30 FCEDHN COCC#CCN1CC[C@@]2(CNC(=O)[C@@]3(C)CCC(=O)NC3)CCC[C@@H]12 ZINC001107514804 1259105900 /nfs/dbraw/zinc/10/59/00/1259105900.db2.gz XLDRSNGUWIOOSL-LSTHTHJFSA-N 0 3 361.486 0.913 20 30 FCEDHN C#CCNCc1cccc(N2CC[C@@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)n1 ZINC001128111830 1259193611 /nfs/dbraw/zinc/19/36/11/1259193611.db2.gz FQIRCGRPCLPYHU-KBAYOESNSA-N 0 3 371.485 0.218 20 30 FCEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)CN2CCCC2=O)[C@@H](n2ccnn2)C1 ZINC001128656622 1259210010 /nfs/dbraw/zinc/21/00/10/1259210010.db2.gz DPAKNRHLBVLNBC-XHSDSOJGSA-N 0 3 360.462 0.597 20 30 FCEDHN C=CCOCCCC(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001128869447 1259252033 /nfs/dbraw/zinc/25/20/33/1259252033.db2.gz IWYSZJZKDZKPLZ-BBWFWOEESA-N 0 3 363.462 0.639 20 30 FCEDHN C=CCCCCCN1C[C@@H](NC(=O)CC(=O)NCC)[C@@H](n2ccnn2)C1 ZINC001128907832 1259261388 /nfs/dbraw/zinc/26/13/88/1259261388.db2.gz IKGQNKJPLHWWAQ-CVEARBPZSA-N 0 3 362.478 0.892 20 30 FCEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2cnn(CC)n2)[C@@H](n2ccnn2)C1 ZINC001128957677 1259273080 /nfs/dbraw/zinc/27/30/80/1259273080.db2.gz BXXLMEFQDRMASP-BMFZPTHFSA-N 0 3 358.450 0.900 20 30 FCEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)Cc2ccn(C)n2)[C@@H](n2ccnn2)C1 ZINC001128980293 1259281660 /nfs/dbraw/zinc/28/16/60/1259281660.db2.gz VTYKKHXDRHZNDB-UAGQMJEPSA-N 0 3 357.462 0.951 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)Cn2cccc(C)c2=O)[C@@H](n2ccnn2)C1 ZINC001128989183 1259283524 /nfs/dbraw/zinc/28/35/24/1259283524.db2.gz LUZXLAWUASJNFK-SJORKVTESA-N 0 3 370.457 0.756 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)C[C@H]2CCN(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001129059836 1259300872 /nfs/dbraw/zinc/30/08/72/1259300872.db2.gz FFMLMKFBQNNQPL-OAGGEKHMSA-N 0 3 360.462 0.454 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)[C@@]2(C)CCNC(=O)C2)[C@@H](n2ccnn2)C1 ZINC001129071709 1259305369 /nfs/dbraw/zinc/30/53/69/1259305369.db2.gz KCKIMRAPBKKZHS-VKJFTORMSA-N 0 3 360.462 0.502 20 30 FCEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](n2ccnn2)C1 ZINC001129093214 1259311779 /nfs/dbraw/zinc/31/17/79/1259311779.db2.gz BROLNDCBBWSFLE-XQQFMLRXSA-N 0 3 370.404 0.356 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)[C@@]2(COC)CCOC2)[C@@H](n2ccnn2)C1 ZINC001129133666 1259324346 /nfs/dbraw/zinc/32/43/46/1259324346.db2.gz FXTCUKWBWBKTJQ-SOLBZPMBSA-N 0 3 363.462 0.639 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)COC2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129294847 1259368159 /nfs/dbraw/zinc/36/81/59/1259368159.db2.gz VYWVZZOGCCTENK-SJORKVTESA-N 0 3 363.462 0.781 20 30 FCEDHN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1n1ccnn1 ZINC001129307784 1259370841 /nfs/dbraw/zinc/37/08/41/1259370841.db2.gz OHTMUDLQIAXEAD-BBWFWOEESA-N 0 3 360.462 0.501 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@@H](CNCC(=O)N2CCC2)C1 ZINC001200536696 1259416807 /nfs/dbraw/zinc/41/68/07/1259416807.db2.gz FHGWTRNNRKIYIN-BBWFWOEESA-N 0 3 365.474 0.407 20 30 FCEDHN C=CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCCO1 ZINC001200728851 1259420586 /nfs/dbraw/zinc/42/05/86/1259420586.db2.gz KTJFOROIYCFVBK-RBSFLKMASA-N 0 3 361.446 0.023 20 30 FCEDHN C=CCN1CC[C@H](N2C[C@@H](NC(=O)C(C)(C)N(C)CC)[C@H](OC)C2)C1=O ZINC001212486797 1259522330 /nfs/dbraw/zinc/52/23/30/1259522330.db2.gz DRZRUAUPZOXZEF-OWCLPIDISA-N 0 3 366.506 0.319 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnn3c2CCCC3)C[C@H]1C ZINC001216221954 1259537318 /nfs/dbraw/zinc/53/73/18/1259537318.db2.gz PNDMNFNGEDUTIX-IIAWOOMASA-N 0 3 359.474 0.960 20 30 FCEDHN C#CCN1CCC[C@H](NC(=O)/C=C(\C)C(=O)N[C@H]2CCCN(CC#C)C2)C1 ZINC001521976717 1266270089 /nfs/dbraw/zinc/27/00/89/1266270089.db2.gz RNNCBGZYHUZWGW-VYFKROBPSA-N 0 3 370.497 0.360 20 30 FCEDHN CN(C)C(=O)CN1CC[C@]2(CCCN(Cc3ccnc(C#N)c3)C2)C1=O ZINC001237462849 1259600895 /nfs/dbraw/zinc/60/08/95/1259600895.db2.gz KSHUWGIKVJBMDW-IBGZPJMESA-N 0 3 355.442 0.856 20 30 FCEDHN C#CCOC[C@@H](O)CN1CC[C@H]2O[C@H](C(=O)N(C)Cc3ccccn3)C[C@H]21 ZINC001251844479 1259765466 /nfs/dbraw/zinc/76/54/66/1259765466.db2.gz RSXHQEIKEQEVCP-MANSERQUSA-N 0 3 373.453 0.283 20 30 FCEDHN C#CCOC[C@H](O)CN1CC[C@H]2O[C@@H](C(=O)NCc3ccco3)CC[C@H]21 ZINC001251844573 1259765631 /nfs/dbraw/zinc/76/56/31/1259765631.db2.gz TXUHQQMOSTZDRI-VDHUWJSZSA-N 0 3 362.426 0.528 20 30 FCEDHN C=CCOC[C@H](O)CN1CC[C@]2(C1)COCc1c(C)nc(N(C)C)nc12 ZINC001252462116 1259790012 /nfs/dbraw/zinc/79/00/12/1259790012.db2.gz CRYIEIOWRKMDTQ-BEFAXECRSA-N 0 3 362.474 0.888 20 30 FCEDHN C=CCOC[C@@H](O)CN1C[C@H](OCC(=O)N2CCCC2)[C@H]2OCCC[C@H]21 ZINC001252464449 1259791658 /nfs/dbraw/zinc/79/16/58/1259791658.db2.gz XYNKINBANRBMGR-ZMMAXQRCSA-N 0 3 368.474 0.421 20 30 FCEDHN C=C[C@H](O)CN1CC[C@@]2(C1)CN(c1cccnc1)C(=O)CN2C(=O)N(C)C ZINC001253576731 1259843545 /nfs/dbraw/zinc/84/35/45/1259843545.db2.gz OEOUTTLLAGOTGI-QFBILLFUSA-N 0 3 373.457 0.403 20 30 FCEDHN CN1CC[C@@H](N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)C1 ZINC001255431968 1259912942 /nfs/dbraw/zinc/91/29/42/1259912942.db2.gz NJSXPNUEFIYGNC-UYAOXDASSA-N 0 3 370.453 0.697 20 30 FCEDHN C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC001336172148 1260022771 /nfs/dbraw/zinc/02/27/71/1260022771.db2.gz WDZSDQQSXBSRRJ-NVXWUHKLSA-N 0 3 361.490 0.422 20 30 FCEDHN C=C[C@H]1CCCCN1C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC001257795863 1260030662 /nfs/dbraw/zinc/03/06/62/1260030662.db2.gz ATJLNIZSJULIKY-JKSUJKDBSA-N 0 3 364.490 0.612 20 30 FCEDHN CCCCCCC[C@H](C)N[C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O ZINC001258041461 1260033147 /nfs/dbraw/zinc/03/31/47/1260033147.db2.gz UFGMYRRFIFOPPK-IHWGESPNSA-N 0 3 369.462 0.907 20 30 FCEDHN N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)CCN1C1CC1 ZINC001332036786 1266320477 /nfs/dbraw/zinc/32/04/77/1266320477.db2.gz JGSYRBGXSPYGNC-IAGOWNOFSA-N 0 3 359.474 0.272 20 30 FCEDHN N#Cc1ccc([C@H](O)CN[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC001336785655 1260223248 /nfs/dbraw/zinc/22/32/48/1260223248.db2.gz QSINCLYQUYTMTD-QZTJIDSGSA-N 0 3 358.442 0.114 20 30 FCEDHN C=CCOC[C@@H](O)CN1CCOC[C@@]2(CC(=O)N(Cc3cnoc3)C2)C1 ZINC001277778460 1260668526 /nfs/dbraw/zinc/66/85/26/1260668526.db2.gz MTDWHANQXLVMGM-WMZOPIPTSA-N 0 3 365.430 0.289 20 30 FCEDHN C=CCn1cc(CNC23CC(C(=O)N4CC(N5CC(F)C5)C4)(C2)C3)cn1 ZINC001279768402 1260931909 /nfs/dbraw/zinc/93/19/09/1260931909.db2.gz KRFQMZIWFQZXOX-UHFFFAOYSA-N 0 3 359.449 0.946 20 30 FCEDHN C=CCn1cc(CN2C[C@H]3C[C@@]3(C(=O)N3CCn4cnnc4C3)C2)cn1 ZINC001279769151 1260932176 /nfs/dbraw/zinc/93/21/76/1260932176.db2.gz SPQPZRCJDMNGSG-CRAIPNDOSA-N 0 3 353.430 0.525 20 30 FCEDHN CC[C@@H](C(N)=O)N1CCC2(CCN(C(=O)C3(C#N)CCOCC3)C2)CC1 ZINC001280214463 1261035099 /nfs/dbraw/zinc/03/50/99/1261035099.db2.gz YGKTWUGFOFQGBM-HNNXBMFYSA-N 0 3 362.474 0.885 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NCc2cc3c([nH]c2=O)CCC3)CC1 ZINC001332443591 1266405382 /nfs/dbraw/zinc/40/53/82/1266405382.db2.gz BBMOTQGLJUFSKZ-UHFFFAOYSA-N 0 3 358.442 0.659 20 30 FCEDHN CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCCC1 ZINC001303411039 1263096768 /nfs/dbraw/zinc/09/67/68/1263096768.db2.gz FLHILRABFBEPDJ-AWEZNQCLSA-N 0 3 361.450 0.241 20 30 FCEDHN N#Cc1ccc2c(c1)N(C(=O)C(=O)NC[C@@H]1CN3CCC[C@H]3CO1)CC2 ZINC001320212642 1263773178 /nfs/dbraw/zinc/77/31/78/1263773178.db2.gz PJXUJHMVMUHATC-JKSUJKDBSA-N 0 3 354.410 0.427 20 30 FCEDHN CN(C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1cnn(CC#N)c1 ZINC001324218424 1264597884 /nfs/dbraw/zinc/59/78/84/1264597884.db2.gz GDIBTNSPQWQYAB-UHFFFAOYSA-N 0 3 355.402 0.331 20 30 FCEDHN C#CC[C@@H](NC(=O)C(=O)N(C)CCCN1CCN(C)CC1)c1ccccc1 ZINC001324533502 1264666650 /nfs/dbraw/zinc/66/66/50/1264666650.db2.gz ULGLYLKEDYHJIZ-LJQANCHMSA-N 0 3 370.497 0.963 20 30 FCEDHN C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC[C@H]1O ZINC001324793134 1264702233 /nfs/dbraw/zinc/70/22/33/1264702233.db2.gz JOPICVBJUCZCFN-CRAIPNDOSA-N 0 3 372.469 0.678 20 30 FCEDHN C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001580405870 1278239981 /nfs/dbraw/zinc/23/99/81/1278239981.db2.gz MDTPWOMNHHTFBL-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001580405870 1278239997 /nfs/dbraw/zinc/23/99/97/1278239997.db2.gz MDTPWOMNHHTFBL-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CC[C@](O)(CC#N)C1)C(C)C ZINC001326389550 1265102883 /nfs/dbraw/zinc/10/28/83/1265102883.db2.gz XFWCLFBDMANGLD-QFBILLFUSA-N 0 3 362.474 0.678 20 30 FCEDHN C=CC[C@H](NC(=O)C(=O)NCCCCN1CCN(C)CC1)c1ccncc1 ZINC001327521694 1265349963 /nfs/dbraw/zinc/34/99/63/1265349963.db2.gz LSWSDKRESUHOGI-SFHVURJKSA-N 0 3 373.501 0.959 20 30 FCEDHN C#CCN(C)CCCNC(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC001334986557 1267261929 /nfs/dbraw/zinc/26/19/29/1267261929.db2.gz BDTXXNZSQDAGRU-ZDUSSCGKSA-N 0 3 353.448 0.319 20 30 FCEDHN C=CCn1c(C[C@H](O)CC#N)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001338944734 1268126162 /nfs/dbraw/zinc/12/61/62/1268126162.db2.gz NMONMHJWFSWNNG-QGZVFWFLSA-N 0 3 374.489 0.830 20 30 FCEDHN C=CCn1c(-c2ncnn2C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001339246365 1268194615 /nfs/dbraw/zinc/19/46/15/1268194615.db2.gz RPISYRLTBIYOOL-AWEZNQCLSA-N 0 3 358.450 0.418 20 30 FCEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N(C)CCNS(C)(=O)=O ZINC001339484365 1268249542 /nfs/dbraw/zinc/24/95/42/1268249542.db2.gz ONJKGTLPAAWNRR-ZDUSSCGKSA-N 0 3 356.496 0.259 20 30 FCEDHN C=CCn1c(N2CCN(C[C@@H]3CCOC3)CC2)nnc1[C@]1(O)CCOC1 ZINC001340770539 1268650615 /nfs/dbraw/zinc/65/06/15/1268650615.db2.gz CPHJCMTUAKDZHD-YJBOKZPZSA-N 0 3 363.462 0.231 20 30 FCEDHN C=CCn1c(Cn2cc(CCO)nn2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001340783637 1268654402 /nfs/dbraw/zinc/65/44/02/1268654402.db2.gz RTDBCWSINJKLQJ-GJZGRUSLSA-N 0 3 374.493 0.558 20 30 FCEDHN C=CCn1c(Cn2cc(CCO)nn2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001340783641 1268654495 /nfs/dbraw/zinc/65/44/95/1268654495.db2.gz RTDBCWSINJKLQJ-LSDHHAIUSA-N 0 3 374.493 0.558 20 30 FCEDHN C=C(C)Cn1c(-c2ncnn2C)nnc1N1CCN(C2CCOCC2)CC1 ZINC001341686104 1269151646 /nfs/dbraw/zinc/15/16/46/1269151646.db2.gz NSJJQJMGAHKPMC-UHFFFAOYSA-N 0 3 372.477 0.951 20 30 FCEDHN C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001342248311 1269408845 /nfs/dbraw/zinc/40/88/45/1269408845.db2.gz SFAJJZULLKMCON-SOUVJXGZSA-N 0 3 372.473 0.714 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@H]1CCN(C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001566768788 1269663741 /nfs/dbraw/zinc/66/37/41/1269663741.db2.gz QASQHZUARLFXLQ-FCEWJHQRSA-N 0 3 362.474 0.898 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H](C)NCC(=O)Nc1nncs1 ZINC001570469754 1269888889 /nfs/dbraw/zinc/88/88/89/1269888889.db2.gz QGXFNZCCNZNFGH-OBJOEFQTSA-N 0 3 367.475 0.942 20 30 FCEDHN C=CCn1c(-c2ccccc2)nnc1N1C[C@@H]2[C@@H](N)CS(=O)(=O)[C@@H]2C1 ZINC001574952583 1271684010 /nfs/dbraw/zinc/68/40/10/1271684010.db2.gz TWZZRAXNYYYKDL-QLFBSQMISA-N 0 3 359.455 0.692 20 30 FCEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1[C@H]2CN(CC(=O)NCc3c[nH]nn3)C[C@H]21 ZINC001575073499 1271709817 /nfs/dbraw/zinc/70/98/17/1271709817.db2.gz QNFHXDRAGHYUBA-ZXFNITATSA-N 0 3 360.462 0.317 20 30 FCEDHN C=CCCC(=O)NC[C@@]1(C)CCCN([C@@H](C)C(=O)NCc2c[nH]nn2)C1 ZINC001575084899 1271715070 /nfs/dbraw/zinc/71/50/70/1271715070.db2.gz BYAKFQZHAICHPB-KBXCAEBGSA-N 0 3 362.478 0.994 20 30 FCEDHN C=CCN1CC[C@@H](N[C@@H](C)CNC(=O)c2ccc(-c3c[nH]nn3)cn2)C1=O ZINC001575103401 1271717945 /nfs/dbraw/zinc/71/79/45/1271717945.db2.gz BJQFKDCEUUFGED-SWLSCSKDSA-N 0 3 369.429 0.362 20 30 FCEDHN CC#CCCCC(=O)N1CC[C@@H](N(C)[C@@H](C)C(=O)NCc2c[nH]nn2)C1 ZINC001575117591 1271730981 /nfs/dbraw/zinc/73/09/81/1271730981.db2.gz OZUGJKYDLBOTBL-GOEBONIOSA-N 0 3 360.462 0.536 20 30 FCEDHN CC(C)C#CC(=O)N1CC[C@H]2[C@@H](CCN2CC(=O)NCc2c[nH]nn2)C1 ZINC001575318557 1271917664 /nfs/dbraw/zinc/91/76/64/1271917664.db2.gz LPSQAPGQRWNPEA-HOCLYGCPSA-N 0 3 358.446 0.003 20 30 FCEDHN CC(C)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1CC1(N)COC1 ZINC001575711226 1272347838 /nfs/dbraw/zinc/34/78/38/1272347838.db2.gz DICVCZYUEIBRPC-UHFFFAOYSA-N 0 3 361.450 0.274 20 30 FCEDHN C[C@@]1(CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CNCCO1 ZINC001576511650 1273386717 /nfs/dbraw/zinc/38/67/17/1273386717.db2.gz ZBPBAVRTVFXHFJ-HKUYNNGSSA-N 0 3 357.458 0.784 20 30 FCEDHN CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)c2ccc(-c3cn[nH]n3)cc2)C1 ZINC001576761059 1273632086 /nfs/dbraw/zinc/63/20/86/1273632086.db2.gz HOENJUFOFGPQOZ-HNNXBMFYSA-N 0 3 367.413 0.258 20 30 FCEDHN C[C@@H]1NCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@H]1C ZINC001576893499 1273890499 /nfs/dbraw/zinc/89/04/99/1273890499.db2.gz LXWRQUKUSMWIRV-STQMWFEESA-N 0 3 350.444 0.701 20 30 FCEDHN COCC#CCN(C)C[C@H](C)NC(=O)C1CCN(Cc2cn[nH]n2)CC1 ZINC001576953132 1273973700 /nfs/dbraw/zinc/97/37/00/1273973700.db2.gz MKSKIGWWUSXYGP-HNNXBMFYSA-N 0 3 362.478 0.103 20 30 FCEDHN COCC#CCN1CCC(N(Cc2c[nH]nn2)C(=O)c2ccnnc2)CC1 ZINC001576953965 1273975745 /nfs/dbraw/zinc/97/57/45/1273975745.db2.gz RXBREPFVYLNXGI-UHFFFAOYSA-N 0 3 369.429 0.351 20 30 FCEDHN N#Cc1cc(C(=O)N2CCC3(CO[C@@H](CNCc4cn[nH]n4)C3)CC2)c[nH]1 ZINC001577712271 1274772670 /nfs/dbraw/zinc/77/26/70/1274772670.db2.gz HIGBJDNHEQRZOI-MRXNPFEDSA-N 0 3 369.429 0.806 20 30 FCEDHN N#Cc1cc(C(=O)N2CCC3(CO[C@@H](CNCc4c[nH]nn4)C3)CC2)c[nH]1 ZINC001577712271 1274772675 /nfs/dbraw/zinc/77/26/75/1274772675.db2.gz HIGBJDNHEQRZOI-MRXNPFEDSA-N 0 3 369.429 0.806 20 30 FCEDHN N#Cc1cccc(CN2CC[C@H](NC(=O)CCOCc3c[nH]nn3)C2)c1 ZINC001577717569 1274777690 /nfs/dbraw/zinc/77/76/90/1274777690.db2.gz IZESGRJJFRUXJN-INIZCTEOSA-N 0 3 354.414 0.974 20 30 FCEDHN COC(=O)CCN(CC(OC)OC)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC001578805247 1276295676 /nfs/dbraw/zinc/29/56/76/1276295676.db2.gz SISUEOKFIUUYLS-UIORMTCPSA-N 0 3 353.419 0.136 20 30 FCEDHN COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H](C)C#N ZINC001712424202 1287241260 /nfs/dbraw/zinc/24/12/60/1287241260.db2.gz BHEZDANEZGRCGO-ZIAGYGMSSA-N 0 3 363.466 0.403 20 30 FCEDHN C[NH+]1CCC(NC(=O)CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)CC1 ZINC001579349821 1277205478 /nfs/dbraw/zinc/20/54/78/1277205478.db2.gz SXWPPUYXZSJOLG-UHFFFAOYSA-N 0 3 373.446 0.018 20 30 FCEDHN C[NH+]1CCC(NC(=O)CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)CC1 ZINC001579349821 1277205484 /nfs/dbraw/zinc/20/54/84/1277205484.db2.gz SXWPPUYXZSJOLG-UHFFFAOYSA-N 0 3 373.446 0.018 20 30 FCEDHN CN(c1cnc(C#N)c(-c2nn[n-]n2)n1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001579350034 1277205595 /nfs/dbraw/zinc/20/55/95/1277205595.db2.gz WNNVYLOMRLPWMJ-ZDUSSCGKSA-N 0 3 368.449 0.133 20 30 FCEDHN CN(c1cnc(C#N)c(-c2nn[n-]n2)n1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001579350034 1277205600 /nfs/dbraw/zinc/20/56/00/1277205600.db2.gz WNNVYLOMRLPWMJ-ZDUSSCGKSA-N 0 3 368.449 0.133 20 30 FCEDHN COCC#CC[NH2+]C[C@@](C)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001579619440 1277666374 /nfs/dbraw/zinc/66/63/74/1277666374.db2.gz SBAYHPHUBFTQKV-QGZVFWFLSA-N 0 3 357.418 0.333 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1 ZINC001714327618 1287318548 /nfs/dbraw/zinc/31/85/48/1287318548.db2.gz MNHQFCYZBCYICE-LZWOXQAQSA-N 0 3 364.446 0.004 20 30 FCEDHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)c1ccc(C#N)[nH]1 ZINC001580279097 1278076762 /nfs/dbraw/zinc/07/67/62/1278076762.db2.gz LXTWLKBTGAQGCZ-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)c1ccc(C#N)[nH]1 ZINC001580279097 1278076771 /nfs/dbraw/zinc/07/67/71/1278076771.db2.gz LXTWLKBTGAQGCZ-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001588354819 1282449104 /nfs/dbraw/zinc/44/91/04/1282449104.db2.gz ABTRCMDLROJZMS-GUYCJALGSA-N 0 3 368.441 0.889 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001588354819 1282449108 /nfs/dbraw/zinc/44/91/08/1282449108.db2.gz ABTRCMDLROJZMS-GUYCJALGSA-N 0 3 368.441 0.889 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588355538 1282454918 /nfs/dbraw/zinc/45/49/18/1282454918.db2.gz JJIGWHSCKZODAW-HOCLYGCPSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001588355538 1282454925 /nfs/dbraw/zinc/45/49/25/1282454925.db2.gz JJIGWHSCKZODAW-HOCLYGCPSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001588356149 1282456715 /nfs/dbraw/zinc/45/67/15/1282456715.db2.gz UBWPWCWWKOHYEC-ZIAGYGMSSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001588356149 1282456721 /nfs/dbraw/zinc/45/67/21/1282456721.db2.gz UBWPWCWWKOHYEC-ZIAGYGMSSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001588356149 1282456725 /nfs/dbraw/zinc/45/67/25/1282456725.db2.gz UBWPWCWWKOHYEC-ZIAGYGMSSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001588356149 1282456731 /nfs/dbraw/zinc/45/67/31/1282456731.db2.gz UBWPWCWWKOHYEC-ZIAGYGMSSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001588356146 1282456766 /nfs/dbraw/zinc/45/67/66/1282456766.db2.gz UBWPWCWWKOHYEC-KBPBESRZSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001588356146 1282456771 /nfs/dbraw/zinc/45/67/71/1282456771.db2.gz UBWPWCWWKOHYEC-KBPBESRZSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001588356146 1282456776 /nfs/dbraw/zinc/45/67/76/1282456776.db2.gz UBWPWCWWKOHYEC-KBPBESRZSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001588356146 1282456781 /nfs/dbraw/zinc/45/67/81/1282456781.db2.gz UBWPWCWWKOHYEC-KBPBESRZSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588356293 1282458800 /nfs/dbraw/zinc/45/88/00/1282458800.db2.gz VZLDLMPGPNUXAO-KBPBESRZSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588356293 1282458806 /nfs/dbraw/zinc/45/88/06/1282458806.db2.gz VZLDLMPGPNUXAO-KBPBESRZSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588356297 1282458928 /nfs/dbraw/zinc/45/89/28/1282458928.db2.gz VZLDLMPGPNUXAO-UONOGXRCSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588356297 1282458931 /nfs/dbraw/zinc/45/89/31/1282458931.db2.gz VZLDLMPGPNUXAO-UONOGXRCSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC/C=C/C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588356701 1282461255 /nfs/dbraw/zinc/46/12/55/1282461255.db2.gz FEYHBPUFQBVNIL-IHVVCDCBSA-N 0 3 372.404 0.806 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001588357702 1282466180 /nfs/dbraw/zinc/46/61/80/1282466180.db2.gz MGISBSSDKAJSRK-KGLIPLIRSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001588357702 1282466184 /nfs/dbraw/zinc/46/61/84/1282466184.db2.gz MGISBSSDKAJSRK-KGLIPLIRSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCO[C@H](C)C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588358013 1282466601 /nfs/dbraw/zinc/46/66/01/1282466601.db2.gz RWGPZEXVROEXRQ-ZIAGYGMSSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@H](C)C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588358013 1282466606 /nfs/dbraw/zinc/46/66/06/1282466606.db2.gz RWGPZEXVROEXRQ-ZIAGYGMSSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCOCCC(=O)N[C@H](C)C[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588359355 1282475461 /nfs/dbraw/zinc/47/54/61/1282475461.db2.gz MBGDGCHQFLGGHH-CYBMUJFWSA-N 0 3 374.420 0.982 20 30 FCEDHN C#CCOCCC(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588359355 1282475462 /nfs/dbraw/zinc/47/54/62/1282475462.db2.gz MBGDGCHQFLGGHH-CYBMUJFWSA-N 0 3 374.420 0.982 20 30 FCEDHN C#CCOCCC(=O)N1CCC([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001588359762 1282476878 /nfs/dbraw/zinc/47/68/78/1282476878.db2.gz YAAPJSSSYSNMKG-UHFFFAOYSA-N 0 3 368.441 0.987 20 30 FCEDHN C#CCOCCC(=O)N1CCC([NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001588359762 1282476882 /nfs/dbraw/zinc/47/68/82/1282476882.db2.gz YAAPJSSSYSNMKG-UHFFFAOYSA-N 0 3 368.441 0.987 20 30 FCEDHN C#CCOCCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588362932 1282489194 /nfs/dbraw/zinc/48/91/94/1282489194.db2.gz ZPSUSYJHYKTHQJ-JCNLHEQBSA-N 0 3 368.441 0.891 20 30 FCEDHN C#CCOCCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001588362932 1282489202 /nfs/dbraw/zinc/48/92/02/1282489202.db2.gz ZPSUSYJHYKTHQJ-JCNLHEQBSA-N 0 3 368.441 0.891 20 30 FCEDHN C=CCC[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001588577509 1282572456 /nfs/dbraw/zinc/57/24/56/1282572456.db2.gz JAHBEDVGOMMMME-STQMWFEESA-N 0 3 361.450 0.914 20 30 FCEDHN C=CCC[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001588577509 1282572464 /nfs/dbraw/zinc/57/24/64/1282572464.db2.gz JAHBEDVGOMMMME-STQMWFEESA-N 0 3 361.450 0.914 20 30 FCEDHN C=CCC[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001588577509 1282572475 /nfs/dbraw/zinc/57/24/75/1282572475.db2.gz JAHBEDVGOMMMME-STQMWFEESA-N 0 3 361.450 0.914 20 30 FCEDHN C=CCC[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001588577509 1282572486 /nfs/dbraw/zinc/57/24/86/1282572486.db2.gz JAHBEDVGOMMMME-STQMWFEESA-N 0 3 361.450 0.914 20 30 FCEDHN C=CCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001588601149 1282581978 /nfs/dbraw/zinc/58/19/78/1282581978.db2.gz WIESLHZDXWMYDN-SWLSCSKDSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001588601149 1282581985 /nfs/dbraw/zinc/58/19/85/1282581985.db2.gz WIESLHZDXWMYDN-SWLSCSKDSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001588657745 1282607747 /nfs/dbraw/zinc/60/77/47/1282607747.db2.gz VQZYSSBJXBUGRH-NSHDSACASA-N 0 3 372.433 0.080 20 30 FCEDHN C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001588660139 1282611742 /nfs/dbraw/zinc/61/17/42/1282611742.db2.gz WVMKFFDUHZSKCG-DGCLKSJQSA-N 0 3 372.433 0.080 20 30 FCEDHN C=CCNC(=O)C[NH2+]C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001588659301 1282613889 /nfs/dbraw/zinc/61/38/89/1282613889.db2.gz JYVALIHECAMCGA-CYBMUJFWSA-N 0 3 374.449 0.231 20 30 FCEDHN C=CCOCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001588672179 1282628699 /nfs/dbraw/zinc/62/86/99/1282628699.db2.gz SVKAYZFFMPOCTM-CYBMUJFWSA-N 0 3 360.393 0.899 20 30 FCEDHN C=CCOCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001588672179 1282628714 /nfs/dbraw/zinc/62/87/14/1282628714.db2.gz SVKAYZFFMPOCTM-CYBMUJFWSA-N 0 3 360.393 0.899 20 30 FCEDHN C=CCOCC[NH2+][C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C ZINC001588683439 1282646071 /nfs/dbraw/zinc/64/60/71/1282646071.db2.gz SGJMSOGMBFXZTO-OLZOCXBDSA-N 0 3 359.434 0.838 20 30 FCEDHN C=CCOCC[NH2+][C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001588683439 1282646087 /nfs/dbraw/zinc/64/60/87/1282646087.db2.gz SGJMSOGMBFXZTO-OLZOCXBDSA-N 0 3 359.434 0.838 20 30 FCEDHN C=CCOCC[NH+]1CCC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001588683149 1282646231 /nfs/dbraw/zinc/64/62/31/1282646231.db2.gz OAPXZFFWLGOODH-UHFFFAOYSA-N 0 3 359.434 0.934 20 30 FCEDHN C=CCOCC[NH+]1CCC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001588683149 1282646245 /nfs/dbraw/zinc/64/62/45/1282646245.db2.gz OAPXZFFWLGOODH-UHFFFAOYSA-N 0 3 359.434 0.934 20 30 FCEDHN CC(C)C#CC(=O)N(CCO)CC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589380414 1282857610 /nfs/dbraw/zinc/85/76/10/1282857610.db2.gz WVECOQPBFNEWKP-UHFFFAOYSA-N 0 3 356.430 0.437 20 30 FCEDHN COCC#CC[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@H]1C ZINC001591360455 1284495670 /nfs/dbraw/zinc/49/56/70/1284495670.db2.gz DAYOBUFNQXINCA-HIFRSBDPSA-N 0 3 371.445 0.532 20 30 FCEDHN COCC#CC[NH2+]C[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001591360238 1284496517 /nfs/dbraw/zinc/49/65/17/1284496517.db2.gz BGAFEAPSRZRODC-CYBMUJFWSA-N 0 3 357.418 0.286 20 30 FCEDHN COCC#CC[NH2+]C[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001591360238 1284496522 /nfs/dbraw/zinc/49/65/22/1284496522.db2.gz BGAFEAPSRZRODC-CYBMUJFWSA-N 0 3 357.418 0.286 20 30 FCEDHN COCC#CC[NH2+][C@H](C)C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001591360399 1284496891 /nfs/dbraw/zinc/49/68/91/1284496891.db2.gz CECNAZZUZKBYCJ-CYBMUJFWSA-N 0 3 371.445 0.675 20 30 FCEDHN COCC#CC[NH2+][C@H](C)C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001591360399 1284496892 /nfs/dbraw/zinc/49/68/92/1284496892.db2.gz CECNAZZUZKBYCJ-CYBMUJFWSA-N 0 3 371.445 0.675 20 30 FCEDHN COCC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001591362752 1284499330 /nfs/dbraw/zinc/49/93/30/1284499330.db2.gz XEGNCTXGTAVVIM-QEJZJMRPSA-N 0 3 369.429 0.427 20 30 FCEDHN COCC#CC[NH2+][C@@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C12CCC2 ZINC001591362782 1284499989 /nfs/dbraw/zinc/49/99/89/1284499989.db2.gz XQYZEYQWZXIIRK-CABCVRRESA-N 0 3 369.429 0.475 20 30 FCEDHN C[NH+](C)[C@@H](CNC(=O)Cn1cnc(C#N)c1-c1nnn[n-]1)c1ccccc1 ZINC001604671467 1287720849 /nfs/dbraw/zinc/72/08/49/1287720849.db2.gz JJHNICRCGNLCAR-AWEZNQCLSA-N 0 3 365.401 0.354 20 30 FCEDHN COCCCNC(=O)C(C#N)C(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC001591415888 1284566718 /nfs/dbraw/zinc/56/67/18/1284566718.db2.gz MCURQJYHIJAFEW-ZDUSSCGKSA-N 0 3 358.358 0.107 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001602727354 1287091179 /nfs/dbraw/zinc/09/11/79/1287091179.db2.gz OASKYMHCIISBCB-JLJPHGGASA-N 0 3 368.441 0.889 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001602727354 1287091186 /nfs/dbraw/zinc/09/11/86/1287091186.db2.gz OASKYMHCIISBCB-JLJPHGGASA-N 0 3 368.441 0.889 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1C(F)(F)F ZINC001602866832 1287140850 /nfs/dbraw/zinc/14/08/50/1287140850.db2.gz NPWCJSJRRYXZIN-MWLCHTKSSA-N 0 3 355.324 0.973 20 30 FCEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC001609055558 1288890177 /nfs/dbraw/zinc/89/01/77/1288890177.db2.gz IIRAHEXKONOVBY-HNNXBMFYSA-N 0 3 369.429 0.235 20 30 FCEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC001609055558 1288890183 /nfs/dbraw/zinc/89/01/83/1288890183.db2.gz IIRAHEXKONOVBY-HNNXBMFYSA-N 0 3 369.429 0.235 20 30 FCEDHN C=C(Cl)CN[C@@H]1CC[C@H](CNC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001691947824 1289348852 /nfs/dbraw/zinc/34/88/52/1289348852.db2.gz LNVXPRCDPFUSAW-UONOGXRCSA-N 0 3 363.911 0.344 20 30 FCEDHN C#CCNC(=O)[C@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)c1nnn(C)c1C ZINC001692063727 1289382455 /nfs/dbraw/zinc/38/24/55/1289382455.db2.gz MGSAZGYZBNGRMA-IPYPFGDCSA-N 0 3 360.462 0.092 20 30 FCEDHN C#CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)Cc1cncc(C)c1 ZINC001692079217 1289386366 /nfs/dbraw/zinc/38/63/66/1289386366.db2.gz GIQVSEOZYCDTIX-QAPCUYQASA-N 0 3 356.470 0.899 20 30 FCEDHN C#CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC12CCOCC2 ZINC001692102593 1289400226 /nfs/dbraw/zinc/40/02/26/1289400226.db2.gz KPGSQHWDSQBEBA-IKGGRYGDSA-N 0 3 361.486 0.769 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)CNC(=O)NC)C[C@H]1c1ccc(OC)cc1 ZINC001692326761 1289446256 /nfs/dbraw/zinc/44/62/56/1289446256.db2.gz UDVPMOIXQOHWJW-DLBZAZTESA-N 0 3 358.442 0.532 20 30 FCEDHN C=CCNC(=O)CNC1(CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CCOCC1 ZINC001699880968 1289570236 /nfs/dbraw/zinc/57/02/36/1289570236.db2.gz SZPQDHVOKPBGIH-YQQAZPJKSA-N 0 3 365.474 0.359 20 30 FCEDHN N#Cc1ccc(OC2CCC(NCc3cn(CC(N)=O)nn3)CC2)nc1 ZINC001655920386 1291491193 /nfs/dbraw/zinc/49/11/93/1291491193.db2.gz WIRDPIIAOPNREY-UHFFFAOYSA-N 0 3 355.402 0.510 20 30 FCEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC(O)(C(N)=O)CC1)CCC2 ZINC001658628019 1291628102 /nfs/dbraw/zinc/62/81/02/1291628102.db2.gz WNIZAUHHAZXHEL-UHFFFAOYSA-N 0 3 362.455 0.749 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H](CCCC)NC(N)=O)C[C@H]1c1cnn(C)c1 ZINC001689036426 1294581957 /nfs/dbraw/zinc/58/19/57/1294581957.db2.gz YRXLSXGRWSBLOK-ARFHVFGLSA-N 0 3 360.462 0.164 20 30 FCEDHN C[C@@H]1CCN(C(=O)C[C@@H]2CCCCO2)[C@H](CNCC(=O)NCC#N)C1 ZINC001689084398 1294602779 /nfs/dbraw/zinc/60/27/79/1294602779.db2.gz APRNWSJTNSTAMU-PMPSAXMXSA-N 0 3 350.463 0.802 20 30 FCEDHN CCn1cc(C(=O)N2CC[C@@H](C)C[C@H]2CNCC(=O)NCC#N)c(C)n1 ZINC001689101661 1294619816 /nfs/dbraw/zinc/61/98/16/1294619816.db2.gz MRRCRCZFRHKEDO-HIFRSBDPSA-N 0 3 360.462 0.682 20 30 FCEDHN COCC#CCN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](C)C3)C[C@@H]2C1 ZINC001689232649 1294691232 /nfs/dbraw/zinc/69/12/32/1294691232.db2.gz PXNQRPLCFXIRKK-KURKYZTESA-N 0 3 361.486 0.675 20 30 FCEDHN COCC#CCN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H](C)C3)C[C@@H]2C1 ZINC001689232648 1294692667 /nfs/dbraw/zinc/69/26/67/1294692667.db2.gz PXNQRPLCFXIRKK-KSZLIROESA-N 0 3 361.486 0.675 20 30 FCEDHN C#CCN1CCC(C(=O)NC2(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)CC1 ZINC001689601567 1294808556 /nfs/dbraw/zinc/80/85/56/1294808556.db2.gz CVCYNXBKIHSZMH-WKULXVSPSA-N 0 3 371.481 0.520 20 30 FCEDHN C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CCN(C)CCOC ZINC001690046544 1294853404 /nfs/dbraw/zinc/85/34/04/1294853404.db2.gz DFEBCVPWPYHIPE-KRWDZBQOSA-N 0 3 359.474 0.823 20 30 FCEDHN C#Cc1cccc(NC(=O)CN[C@H]2C[C@@H](NC(=O)[C@]34C[C@H]3COC4)C2)c1 ZINC001690338403 1294864438 /nfs/dbraw/zinc/86/44/38/1294864438.db2.gz VFIDBOUQBKQMPY-REGYPHIPSA-N 0 3 353.422 0.880 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)NCC(=O)NCC#Cc1ccccc1 ZINC001690623650 1294875978 /nfs/dbraw/zinc/87/59/78/1294875978.db2.gz TWAWZOVHCRRANQ-UHOSZYNNSA-N 0 3 369.465 0.840 20 30 FCEDHN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)NCC(=O)NCC#N ZINC001690636817 1294876610 /nfs/dbraw/zinc/87/66/10/1294876610.db2.gz HQXVDSNAGQKTAN-ZMLRMANQSA-N 0 3 368.359 0.941 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)NCC(=O)N(C)Cc1cnn(C)c1 ZINC001690623464 1294876771 /nfs/dbraw/zinc/87/67/71/1294876771.db2.gz OFDXICVCDCPPSH-IMJJTQAJSA-N 0 3 363.462 0.064 20 30 FCEDHN N#CCNC(=O)CN1CCC[C@@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001690899542 1294890975 /nfs/dbraw/zinc/89/09/75/1294890975.db2.gz RUBLLBSBVGYAOB-RRFJBIMHSA-N 0 3 358.446 0.514 20 30 FCEDHN C#CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1cc(OC)ccn1 ZINC001691835007 1294932827 /nfs/dbraw/zinc/93/28/27/1294932827.db2.gz WYOIXZYCJBMHDC-CABCVRRESA-N 0 3 358.442 0.670 20 30 FCEDHN C=CCNC(=O)[C@@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001691837505 1294932913 /nfs/dbraw/zinc/93/29/13/1294932913.db2.gz DZXINTUVDXEZLK-MCIONIFRSA-N 0 3 361.446 0.291 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)C[C@@H]2CCCS2(=O)=O)C[C@@H]1n1ccnn1 ZINC001070242499 837637161 /nfs/dbraw/zinc/63/71/61/837637161.db2.gz DZARQMUPKLLGNS-ZNMIVQPWSA-N 0 3 367.475 0.163 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cc2csc(COC)n2)C[C@@H]1n1ccnn1 ZINC001070308321 837645176 /nfs/dbraw/zinc/64/51/76/837645176.db2.gz MIRAZIAJMXVYIG-KGLIPLIRSA-N 0 3 362.459 0.651 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cn2c(C)c(C)sc2=O)C[C@@H]1n1ccnn1 ZINC001070332394 837647078 /nfs/dbraw/zinc/64/70/78/837647078.db2.gz BMSZZLLBPULWRC-KGLIPLIRSA-N 0 3 362.459 0.346 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)[C@@H](C)S(C)(=O)=O)C[C@H]1c1cn(C)cn1 ZINC001070504307 837655925 /nfs/dbraw/zinc/65/59/25/837655925.db2.gz OQIHQNUSUUJTQI-VNHYZAJKSA-N 0 3 354.476 0.313 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1c1cncn1C ZINC001070696086 837672801 /nfs/dbraw/zinc/67/28/01/837672801.db2.gz BHOLMZQVBGYZNT-ZIAGYGMSSA-N 0 3 368.503 0.703 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@H]1C(F)(F)F ZINC001099338953 844031883 /nfs/dbraw/zinc/03/18/83/844031883.db2.gz PNVBPPIYINWXNQ-GMTAPVOTSA-N 0 3 362.352 0.530 20 30 FCEDHN C#CCCCC(=O)N1C[C@H]2CN(CCCS(=O)(=O)N(C)C)C[C@@]2(C)C1 ZINC001101218100 844107716 /nfs/dbraw/zinc/10/77/16/844107716.db2.gz PYEAGFRUPQYSMA-AEFFLSMTSA-N 0 3 369.531 0.852 20 30 FCEDHN Cc1nc(CCCC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)cs1 ZINC000750708636 836438899 /nfs/dbraw/zinc/43/88/99/836438899.db2.gz QMSXNFVJYPOPJU-CYBMUJFWSA-N 0 3 369.468 0.740 20 30 FCEDHN 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IGKJXBAEVFEJNW-HIFRSBDPSA-N 0 3 356.430 0.889 20 30 FCEDHN C#Cc1ccc(C(=O)NCC[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)cn1 ZINC001573287869 946849393 /nfs/dbraw/zinc/84/93/93/946849393.db2.gz LTDNAKJQJJQJRR-UHFFFAOYSA-N 0 3 365.372 0.902 20 30 FCEDHN C[C@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573568201 947068052 /nfs/dbraw/zinc/06/80/52/947068052.db2.gz ZDYJYXKNWPGIQW-HIFRSBDPSA-N 0 3 369.429 0.733 20 30 FCEDHN C[C@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573569633 947076677 /nfs/dbraw/zinc/07/66/77/947076677.db2.gz CQBULVKVYXTVIN-YPMHNXCESA-N 0 3 373.392 0.482 20 30 FCEDHN C=CC(C)(C)C(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573304831 947143529 /nfs/dbraw/zinc/14/35/29/947143529.db2.gz HKYGEAXKOGGMSS-GFCCVEGCSA-N 0 3 362.409 0.785 20 30 FCEDHN C=CCOCC[N@@H+]1CCCC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001573347247 947572456 /nfs/dbraw/zinc/57/24/56/947572456.db2.gz BBNQOIMPSYKYCM-UHFFFAOYSA-N 0 3 371.445 0.935 20 30 FCEDHN C=CCOCC[N@H+]1CCCC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001573347247 947572464 /nfs/dbraw/zinc/57/24/64/947572464.db2.gz BBNQOIMPSYKYCM-UHFFFAOYSA-N 0 3 371.445 0.935 20 30 FCEDHN C=CCOCC[N@@H+]1CCCC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001573347247 947572471 /nfs/dbraw/zinc/57/24/71/947572471.db2.gz BBNQOIMPSYKYCM-UHFFFAOYSA-N 0 3 371.445 0.935 20 30 FCEDHN C=CCOCC[N@H+]1CCCC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001573347247 947572478 /nfs/dbraw/zinc/57/24/78/947572478.db2.gz BBNQOIMPSYKYCM-UHFFFAOYSA-N 0 3 371.445 0.935 20 30 FCEDHN C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2C1 ZINC001573347645 947573766 /nfs/dbraw/zinc/57/37/66/947573766.db2.gz FYMJYVGVYUYNRL-KGLIPLIRSA-N 0 3 371.445 0.791 20 30 FCEDHN C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2C1 ZINC001573347645 947573773 /nfs/dbraw/zinc/57/37/73/947573773.db2.gz FYMJYVGVYUYNRL-KGLIPLIRSA-N 0 3 371.445 0.791 20 30 FCEDHN C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2C1 ZINC001573347645 947573778 /nfs/dbraw/zinc/57/37/78/947573778.db2.gz FYMJYVGVYUYNRL-KGLIPLIRSA-N 0 3 371.445 0.791 20 30 FCEDHN C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2C1 ZINC001573347645 947573786 /nfs/dbraw/zinc/57/37/86/947573786.db2.gz FYMJYVGVYUYNRL-KGLIPLIRSA-N 0 3 371.445 0.791 20 30 FCEDHN COCCN(C)CCNC(=O)N1CCN(c2snc(C)c2C#N)CC1 ZINC000290888391 214001082 /nfs/dbraw/zinc/00/10/82/214001082.db2.gz SZPWMMDPRLAZIM-UHFFFAOYSA-N 0 3 366.491 0.733 20 30 FCEDHN CCN(CCNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)C1CC1 ZINC000285801289 213399239 /nfs/dbraw/zinc/39/92/39/213399239.db2.gz AKLXRMUETAAFDL-UHFFFAOYSA-N 0 3 370.457 0.202 20 30 FCEDHN C[C@@H](NC(=O)C(=O)NC1CCN(CCN(C)C)CC1)c1ccc(C#N)cc1 ZINC000284468376 213147503 /nfs/dbraw/zinc/14/75/03/213147503.db2.gz NZCSMLMOMIUJHZ-OAHLLOKOSA-N 0 3 371.485 0.878 20 30 FCEDHN C[C@H](NC(=O)C(=O)NC1CCN(CCN(C)C)CC1)c1ccc(C#N)cc1 ZINC000284468373 213146478 /nfs/dbraw/zinc/14/64/78/213146478.db2.gz NZCSMLMOMIUJHZ-HNNXBMFYSA-N 0 3 371.485 0.878 20 30 FCEDHN C[C@H]1CN(CCCNC(=O)C(=O)NCc2cccc(C#N)c2)CCCO1 ZINC000283898655 213030577 /nfs/dbraw/zinc/03/05/77/213030577.db2.gz HVRVEZQOBMUEMW-HNNXBMFYSA-N 0 3 358.442 0.792 20 30 FCEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000189767268 209259695 /nfs/dbraw/zinc/25/96/95/209259695.db2.gz XJQHJUTZQXQABU-UHFFFAOYSA-N 0 3 357.458 0.901 20 30 FCEDHN Cc1cccc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)c1C#N ZINC000189764729 209258736 /nfs/dbraw/zinc/25/87/36/209258736.db2.gz BMUVBGQSUYJWJO-UHFFFAOYSA-N 0 3 357.458 0.901 20 30 FCEDHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000189766369 209260385 /nfs/dbraw/zinc/26/03/85/209260385.db2.gz XXFBWQAOEVISLA-UHFFFAOYSA-N 0 3 361.421 0.732 20 30 FCEDHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2cccnc2C#N)CC1 ZINC000277108942 212329567 /nfs/dbraw/zinc/32/95/67/212329567.db2.gz XRYGZXFCNBWTDM-UHFFFAOYSA-N 0 3 365.459 0.128 20 30 FCEDHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000373820436 217064132 /nfs/dbraw/zinc/06/41/32/217064132.db2.gz VXKCIVIIOMBBCZ-ZDUSSCGKSA-N 0 3 368.484 0.547 20 30 FCEDHN N#Cc1cccc(CCNC(=O)C(=O)NCCCNCc2cccnc2)c1 ZINC000419715770 246264852 /nfs/dbraw/zinc/26/48/52/246264852.db2.gz ZQLMUNGZYDOCOP-UHFFFAOYSA-N 0 3 365.437 0.908 20 30 FCEDHN N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)CC1 ZINC000423638056 247085048 /nfs/dbraw/zinc/08/50/48/247085048.db2.gz DDKPDNIUBMKBGZ-CYBMUJFWSA-N 0 3 359.405 0.296 20 30 FCEDHN C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)[C@H](N)CCCC#N ZINC000424182116 247175037 /nfs/dbraw/zinc/17/50/37/247175037.db2.gz GDUHKZDBEBEJER-DZGCQCFKSA-N 0 3 352.460 0.881 20 30 FCEDHN N#CCCC[C@H](N)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000424173962 247176434 /nfs/dbraw/zinc/17/64/34/247176434.db2.gz OUYNLPLWSRHPBG-GJZGRUSLSA-N 0 3 356.492 0.861 20 30 FCEDHN Cn1cc([C@@H]2CN(C(=O)C(=O)Nc3cc(C#N)ccc3Cl)C[C@H]2N)cn1 ZINC000424450189 247221843 /nfs/dbraw/zinc/22/18/43/247221843.db2.gz WEFZPBSJNZEOJD-GXTWGEPZSA-N 0 3 372.816 0.837 20 30 FCEDHN Cn1cc([C@@H]2CN(C(=O)C(=O)Nc3ccc(C#N)c(F)c3)C[C@H]2N)cn1 ZINC000424450188 247222543 /nfs/dbraw/zinc/22/25/43/247222543.db2.gz WEFIMVRFRUKVFE-DZGCQCFKSA-N 0 3 356.361 0.323 20 30 FCEDHN Cc1c(C#N)cccc1NC(=O)C(=O)N(CCOCCO)CCN(C)C ZINC000439640166 248137829 /nfs/dbraw/zinc/13/78/29/248137829.db2.gz MSEIZHQDHACJPX-UHFFFAOYSA-N 0 3 362.430 0.204 20 30 FCEDHN CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000453564272 249345373 /nfs/dbraw/zinc/34/53/73/249345373.db2.gz GICKLBPTNZRLBQ-AWEZNQCLSA-N 0 3 362.430 0.713 20 30 FCEDHN CS(=O)(=O)N1CC[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000471047978 250087478 /nfs/dbraw/zinc/08/74/78/250087478.db2.gz MYTQJGUPNNKECF-JKSUJKDBSA-N 0 3 360.439 0.638 20 30 FCEDHN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000471054930 250087868 /nfs/dbraw/zinc/08/78/68/250087868.db2.gz DZVDXHSDRJTGNS-JKSUJKDBSA-N 0 3 360.439 0.781 20 30 FCEDHN CN(C)CCOCCNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000471656332 250114340 /nfs/dbraw/zinc/11/43/40/250114340.db2.gz BOUSFMPXCKYJAK-SFHVURJKSA-N 0 3 359.474 0.984 20 30 FCEDHN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000481159610 250319572 /nfs/dbraw/zinc/31/95/72/250319572.db2.gz VDRBKEMMNGKDGO-JSGCOSHPSA-N 0 3 362.455 0.578 20 30 FCEDHN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000482415756 250390600 /nfs/dbraw/zinc/39/06/00/250390600.db2.gz ZMWNIJPGZUSOSF-IPYPFGDCSA-N 0 3 364.471 0.824 20 30 FCEDHN C[C@H](O)c1cn(CC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)nn1 ZINC000268945794 210887234 /nfs/dbraw/zinc/88/72/34/210887234.db2.gz ZRBMMHMTGIGRSM-AWEZNQCLSA-N 0 3 356.430 0.793 20 30 FCEDHN CCN(CC)CC(=O)N1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000103492590 208179515 /nfs/dbraw/zinc/17/95/15/208179515.db2.gz LRMFGMPBAOCSBP-SFHVURJKSA-N 0 3 374.485 0.784 20 30 FCEDHN CN(C)C[C@@](C)(O)CNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000125252127 208456896 /nfs/dbraw/zinc/45/68/96/208456896.db2.gz QVZWYEAIOOICAU-SFHVURJKSA-N 0 3 360.462 0.534 20 30 FCEDHN CC(C(=O)N1CC(NC(=O)C2CCC2)C1)S(=O)(=O)C1CCOCC1 ZINC000330155985 533188346 /nfs/dbraw/zinc/18/83/46/533188346.db2.gz YPJGXVCHVSONPK-NSHDSACASA-N 0 3 358.460 0.936 20 30 FCEDHN N#CC1(NC(=O)CN2CCC(N3CCC[C@H]3C(N)=O)CC2)CCCCC1 ZINC000159374789 229194485 /nfs/dbraw/zinc/19/44/85/229194485.db2.gz XDTKFWJAQHFZLM-INIZCTEOSA-N 0 3 361.490 0.743 20 30 FCEDHN C[C@@H](CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)N(C)C ZINC000490772498 484475483 /nfs/dbraw/zinc/47/54/83/484475483.db2.gz QTDOBDVZQSRCHP-LBPRGKRZSA-N 0 3 355.402 0.203 20 30 FCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000287570588 488882789 /nfs/dbraw/zinc/88/27/89/488882789.db2.gz VAIWHJFVNZXFLN-KURKYZTESA-N 0 3 370.453 0.885 20 30 FCEDHN CN1CCC(N2CC[C@@H](NC(=O)C(=O)Nc3ccc(F)cc3C#N)C2)CC1 ZINC000363910994 488899390 /nfs/dbraw/zinc/89/93/90/488899390.db2.gz RBJHWDWQESCFCV-OAHLLOKOSA-N 0 3 373.432 0.921 20 30 FCEDHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN(C3CC3)C(=O)C2)CC1 ZINC000328705706 488932042 /nfs/dbraw/zinc/93/20/42/488932042.db2.gz LFOQAMACEYUWSN-OAHLLOKOSA-N 0 3 351.495 0.481 20 30 FCEDHN COc1ccc([C@@H](CN(C)C)NC(=O)NCCn2cnc(C#N)n2)cc1 ZINC000288038574 488935481 /nfs/dbraw/zinc/93/54/81/488935481.db2.gz ZOMUOPIPPYKUHP-OAHLLOKOSA-N 0 3 357.418 0.760 20 30 FCEDHN CC(C)(C(N)=O)N1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279393998 488938525 /nfs/dbraw/zinc/93/85/25/488938525.db2.gz ALKBULFBSHEJNA-INIZCTEOSA-N 0 3 353.426 0.649 20 30 FCEDHN C#CCN1CCC(C(=O)NC[C@]2(N3CCOCC3)CCSC2)CC1 ZINC000057171128 488267498 /nfs/dbraw/zinc/26/74/98/488267498.db2.gz XQFHGBQSBWSXAE-GOSISDBHSA-N 0 3 351.516 0.656 20 30 FCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](CCO)C(C)(C)C)CC2)o1 ZINC000183697736 488393582 /nfs/dbraw/zinc/39/35/82/488393582.db2.gz MMZFUHQELZZDJA-OAHLLOKOSA-N 0 3 363.462 0.890 20 30 FCEDHN CN(C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000076237794 488402596 /nfs/dbraw/zinc/40/25/96/488402596.db2.gz 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C#CCN(C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C1CCN(C)CC1 ZINC000886587153 673592211 /nfs/dbraw/zinc/59/22/11/673592211.db2.gz IPLHBHLZTWDENY-UHFFFAOYSA-N 0 3 362.455 0.040 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(C)n3)[C@@H]2C)CC1 ZINC000988506320 1192236895 /nfs/dbraw/zinc/23/68/95/1192236895.db2.gz KRUDEPRMLPCNJK-CJNGLKHVSA-N 0 3 357.458 0.783 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3ccnn3C)[C@@H]2C)CC1 ZINC000988506755 1192236978 /nfs/dbraw/zinc/23/69/78/1192236978.db2.gz OQTFWLACTKMELF-QAPCUYQASA-N 0 3 371.485 0.413 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)c3cncnc3C)[C@@H]2C)CC1 ZINC000988506731 1192237041 /nfs/dbraw/zinc/23/70/41/1192237041.db2.gz OAPBECQIMBYWJG-QAPCUYQASA-N 0 3 369.469 0.849 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)c3ccn(C)n3)[C@@H]2C)CC1 ZINC000988506371 1192237168 /nfs/dbraw/zinc/23/71/68/1192237168.db2.gz LCSZWIXVUHTDOZ-ZBFHGGJFSA-N 0 3 357.458 0.485 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)c3cnc(C)n3C)[C@@H]2C)CC1 ZINC000988506285 1192237367 /nfs/dbraw/zinc/23/73/67/1192237367.db2.gz KKELZSOFTYCLEK-PBHICJAKSA-N 0 3 371.485 0.793 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)CCc3cn[nH]c3)[C@@H]2C)CC1 ZINC000988506360 1192238097 /nfs/dbraw/zinc/23/80/97/1192238097.db2.gz KYOXMNKTIUVKBF-QAPCUYQASA-N 0 3 371.485 0.793 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3cc(C)n[nH]3)[C@@H]2C)CC1 ZINC000988507496 1192239320 /nfs/dbraw/zinc/23/93/20/1192239320.db2.gz UNKNLGCMVZRIEX-QAPCUYQASA-N 0 3 371.485 0.711 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)c3cc(C)n[nH]3)[C@@H]2C)CC1 ZINC000988507304 1192239373 /nfs/dbraw/zinc/23/93/73/1192239373.db2.gz RUDPCCKRCLZGKJ-ZBFHGGJFSA-N 0 3 357.458 0.783 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)c3cc(C)[nH]n3)[C@@H]2C)CC1 ZINC000988507304 1192239377 /nfs/dbraw/zinc/23/93/77/1192239377.db2.gz RUDPCCKRCLZGKJ-ZBFHGGJFSA-N 0 3 357.458 0.783 20 30 FCEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCN3CCC)C[C@@H]2O)cn1 ZINC000969358954 1167899275 /nfs/dbraw/zinc/89/92/75/1167899275.db2.gz 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C=CCNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@H](C)OCC ZINC001691343089 1171155595 /nfs/dbraw/zinc/15/55/95/1171155595.db2.gz YPMNHEPZGNQKDA-ILXRZTDVSA-N 0 3 368.478 0.640 20 30 FCEDHN CC(C)CNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@H](C)C#N ZINC001691347441 1171166541 /nfs/dbraw/zinc/16/65/41/1171166541.db2.gz JXHHFMKPDZFJOA-KFWWJZLASA-N 0 3 365.478 0.845 20 30 FCEDHN C=CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001691358353 1171200512 /nfs/dbraw/zinc/20/05/12/1171200512.db2.gz CPEIMVVMOMSJCT-ZBFHGGJFSA-N 0 3 364.490 0.374 20 30 FCEDHN C[C@@H]1CCN(C(=O)c2cnn3ncccc23)[C@H](CNCC(=O)NCC#N)C1 ZINC001691358444 1171201165 /nfs/dbraw/zinc/20/11/65/1171201165.db2.gz GMYACHPUFQZIAJ-KGLIPLIRSA-N 0 3 369.429 0.199 20 30 FCEDHN N#CCOc1cccc(CC(=O)NCC(=O)NCCN2CCCCC2)c1 ZINC000909321273 1171713283 /nfs/dbraw/zinc/71/32/83/1171713283.db2.gz NSTFSNHAQDVXNW-UHFFFAOYSA-N 0 3 358.442 0.850 20 30 FCEDHN CN(Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000972320348 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1200572918 /nfs/dbraw/zinc/57/29/18/1200572918.db2.gz WTHOHLFWZVDKRT-KCXAZCMYSA-N 0 3 351.410 0.647 20 30 FCEDHN C[C@H](CNC(=O)C(=O)NCCNc1ncccc1C#N)N1CCCCC1 ZINC000787777419 1200908880 /nfs/dbraw/zinc/90/88/80/1200908880.db2.gz KIAWMMGHPWHOEM-CQSZACIVSA-N 0 3 358.446 0.472 20 30 FCEDHN N#Cc1cccnc1NCCNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000787786721 1200911612 /nfs/dbraw/zinc/91/16/12/1200911612.db2.gz CGIYYQMDROUFLI-INIZCTEOSA-N 0 3 370.457 0.568 20 30 FCEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CC(=O)N(C)C[C@@H]1C)C(C)C ZINC000788442027 1200958975 /nfs/dbraw/zinc/95/89/75/1200958975.db2.gz BZPCELIPDSWAAK-HOTGVXAUSA-N 0 3 364.490 0.490 20 30 FCEDHN CCOC(=O)CON=C(C(=O)NCCN1CCC[C@@H](C)C1)c1cc[nH]n1 ZINC000789957311 1201045328 /nfs/dbraw/zinc/04/53/28/1201045328.db2.gz OWPRXJCZNXTMLH-CYBMUJFWSA-N 0 3 365.434 0.542 20 30 FCEDHN C=CC[C@H](NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1)c1ccncc1 ZINC000790187000 1201058069 /nfs/dbraw/zinc/05/80/69/1201058069.db2.gz VOWNFUYWPVEVKQ-WMZOPIPTSA-N 0 3 373.501 0.815 20 30 FCEDHN CC(C)[C@@H](C(=O)N[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@@H]1O)N(C)C ZINC001219845783 1224651080 /nfs/dbraw/zinc/65/10/80/1224651080.db2.gz SDFRELKNKFXHJN-SQNIBIBYSA-N 0 3 362.449 0.945 20 30 FCEDHN CCCCCCN(C)CC(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O ZINC001090462248 1201199719 /nfs/dbraw/zinc/19/97/19/1201199719.db2.gz SKWRDTZJLCZASH-HUUCEWRRSA-N 0 3 360.462 0.526 20 30 FCEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](n2ccnn2)C1 ZINC001129421968 1201303826 /nfs/dbraw/zinc/30/38/26/1201303826.db2.gz IHMIGWPDIHZZSY-IMJJTQAJSA-N 0 3 371.445 0.382 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)CCC(=O)N(CC)CC)[C@@H](n2ccnn2)C1 ZINC001129449666 1201310800 /nfs/dbraw/zinc/31/08/00/1201310800.db2.gz UYKFGFVJHNGTQT-CVEARBPZSA-N 0 3 362.478 0.844 20 30 FCEDHN CC(C)[C@@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1)N1CCCCC1 ZINC001129460766 1201327435 /nfs/dbraw/zinc/32/74/35/1201327435.db2.gz NXKJBDKYKILOTL-IKGGRYGDSA-N 0 3 359.478 0.654 20 30 FCEDHN CC(C)[C@H](C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1)N1CCCCC1 ZINC001129460767 1201328308 /nfs/dbraw/zinc/32/83/08/1201328308.db2.gz NXKJBDKYKILOTL-IXDOHACOSA-N 0 3 359.478 0.654 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)COC[C@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001129497034 1201335596 /nfs/dbraw/zinc/33/55/96/1201335596.db2.gz YOVKRMXJUKTNNZ-ZACQAIPSSA-N 0 3 363.462 0.781 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2ccc(C)nc2)C[C@@H]1n1ccnn1 ZINC001129582879 1201354001 /nfs/dbraw/zinc/35/40/01/1201354001.db2.gz TZDJZZRTXVLUJD-SJORKVTESA-N 0 3 356.430 0.839 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2cc(C)n(C)n2)C[C@@H]1n1ccnn1 ZINC001129633654 1201359921 /nfs/dbraw/zinc/35/99/21/1201359921.db2.gz QVBLZQQTHDQHQM-CVEARBPZSA-N 0 3 359.434 0.178 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2cncc(F)c2)C[C@@H]1n1ccnn1 ZINC001129742486 1201387121 /nfs/dbraw/zinc/38/71/21/1201387121.db2.gz WSXGOGJRYPHNRJ-CVEARBPZSA-N 0 3 360.393 0.670 20 30 FCEDHN C#CCCCC(=O)N1C[C@@H](NCCN2CCCC2=O)[C@@H](n2ccnn2)C1 ZINC001129787631 1201397055 /nfs/dbraw/zinc/39/70/55/1201397055.db2.gz CMWOSCBWDOTVCM-CVEARBPZSA-N 0 3 358.446 0.046 20 30 FCEDHN C#CCC1(C(=O)N2C[C@@H](NCCn3cccn3)[C@@H](n3ccnn3)C2)CCC1 ZINC001129892049 1201415282 /nfs/dbraw/zinc/41/52/82/1201415282.db2.gz DYMVGBVTZKMQLI-SJORKVTESA-N 0 3 367.457 0.710 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2cnn3c2CCC3)C[C@@H]1n1ccnn1 ZINC001129892378 1201416334 /nfs/dbraw/zinc/41/63/34/1201416334.db2.gz UNVFAYUEEYVXPE-WBVHZDCISA-N 0 3 371.445 0.279 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2c[nH]nc2CC)C[C@@H]1n1ccnn1 ZINC001129921124 1201442172 /nfs/dbraw/zinc/44/21/72/1201442172.db2.gz QPVAKNTTXANYFQ-CVEARBPZSA-N 0 3 359.434 0.422 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)CCn2ccnc2)C[C@@H]1n1ccnn1 ZINC001129952494 1201449087 /nfs/dbraw/zinc/44/90/87/1201449087.db2.gz XJRVMIWMUSVUDK-CVEARBPZSA-N 0 3 359.434 0.109 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC[C@H](c3nccn3C)C2)CC1 ZINC000804890914 1201468664 /nfs/dbraw/zinc/46/86/64/1201468664.db2.gz BLAZNRXGNVGHDO-HNNXBMFYSA-N 0 3 359.474 0.893 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)C[C@@H]1n1ccnn1 ZINC001130020661 1201474575 /nfs/dbraw/zinc/47/45/75/1201474575.db2.gz QRINNMJFTRMIIW-SJORKVTESA-N 0 3 371.445 0.737 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)Cn2ccnc2C(C)C)C[C@@H]1n1ccnn1 ZINC001130026203 1201479636 /nfs/dbraw/zinc/47/96/36/1201479636.db2.gz GLJLNXXTJOXROY-CVEARBPZSA-N 0 3 355.446 0.663 20 30 FCEDHN C=CCn1cc(C(=O)N2C[C@@H](NCC=C(C)C)[C@@H](n3ccnn3)C2)nn1 ZINC001130032453 1201480696 /nfs/dbraw/zinc/48/06/96/1201480696.db2.gz GDVLRAXUUFTRKS-ZBFHGGJFSA-N 0 3 356.434 0.677 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2c[nH]nc2C2CC2)C[C@@H]1n1ccnn1 ZINC001130066991 1201490010 /nfs/dbraw/zinc/49/00/10/1201490010.db2.gz RELFPTXICGBVCA-CVEARBPZSA-N 0 3 371.445 0.737 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CCCOC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001130081439 1201492906 /nfs/dbraw/zinc/49/29/06/1201492906.db2.gz OWMUUMCRVCMFGN-SJORKVTESA-N 0 3 363.462 0.781 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@@H](NCCOCC=C)[C@@H](n3ccnn3)C2)cn1 ZINC001130091244 1201497237 /nfs/dbraw/zinc/49/72/37/1201497237.db2.gz HVAXZNNRXYKXDD-MSOLQXFVSA-N 0 3 366.425 0.512 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)OCCC=C)[n-]1 ZINC001130190590 1201528927 /nfs/dbraw/zinc/52/89/27/1201528927.db2.gz GZGLISVCARXXNC-KKUMJFAQSA-N 0 3 361.446 0.497 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)n(C)n2)[n-]1 ZINC001130188020 1201529339 /nfs/dbraw/zinc/52/93/39/1201529339.db2.gz VHFRCRMBSSQWGQ-ZFWWWQNUSA-N 0 3 371.445 0.262 20 30 FCEDHN CC=C(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#CCOC)[n-]1 ZINC001130196004 1201533043 /nfs/dbraw/zinc/53/30/43/1201533043.db2.gz NJNCKERXJIIPNS-MCYXTJRDSA-N 0 3 361.446 0.499 20 30 FCEDHN C[C@@H](C#N)C(=O)NCc1nnc([C@H]2CCO[C@H]2CNCc2ccon2)[nH]1 ZINC001130203053 1201538612 /nfs/dbraw/zinc/53/86/12/1201538612.db2.gz QRFIAJCRLOBCGL-DRZSPHRISA-N 0 3 359.390 0.231 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=Cc2ccc[nH]2)[n-]1 ZINC001130205324 1201540783 /nfs/dbraw/zinc/54/07/83/1201540783.db2.gz VXPXGXIWNAEFFU-LUNKNMTDSA-N 0 3 354.414 0.558 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2C[C@@H]2C(F)F)[n-]1 ZINC001130207670 1201541438 /nfs/dbraw/zinc/54/14/38/1201541438.db2.gz LSQORJWZUTXMKX-CYDGBPFRSA-N 0 3 367.400 0.808 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2cncc(C)c2)[n-]1 ZINC001130224826 1201553028 /nfs/dbraw/zinc/55/30/28/1201553028.db2.gz DHTTYIICPNMSJZ-HOTGVXAUSA-N 0 3 368.441 0.462 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](OC)C(C)C)[n-]1 ZINC001130235062 1201559622 /nfs/dbraw/zinc/55/96/22/1201559622.db2.gz SSOZETSTMIMBFF-DZKIICNBSA-N 0 3 363.462 0.577 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnoc2CC)[n-]1 ZINC001130242205 1201563065 /nfs/dbraw/zinc/56/30/65/1201563065.db2.gz LUULATURZKWQKL-FZMZJTMJSA-N 0 3 358.402 0.380 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H](C)n2cccc2)[n-]1 ZINC001130246347 1201566107 /nfs/dbraw/zinc/56/61/07/1201566107.db2.gz GXILUGJAIUYKCZ-PMPSAXMXSA-N 0 3 370.457 0.969 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc3c([nH]2)CCC3)[n-]1 ZINC001130249013 1201569294 /nfs/dbraw/zinc/56/92/94/1201569294.db2.gz FRKMPNZYDIXWLQ-BBRMVZONSA-N 0 3 368.441 0.647 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COCC2CC2)CC1 ZINC001130276617 1201575669 /nfs/dbraw/zinc/57/56/69/1201575669.db2.gz IDQXDHFQTOLCLP-XLIONFOSSA-N 0 3 361.486 0.912 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)NCC2CC2)CC1 ZINC001130307279 1201581775 /nfs/dbraw/zinc/58/17/75/1201581775.db2.gz NPYLEXTZSWJZIQ-WBVHZDCISA-N 0 3 362.474 0.174 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COCCOCC)CC1 ZINC001130307702 1201582520 /nfs/dbraw/zinc/58/25/20/1201582520.db2.gz ZMHRRWWIVUYUEE-APWZRJJASA-N 0 3 367.490 0.701 20 30 FCEDHN Cc1nc(CN[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2cn(C)cn2)n[nH]1 ZINC001130583804 1202723011 /nfs/dbraw/zinc/72/30/11/1202723011.db2.gz RVUDEEGEJSWUMW-GOEBONIOSA-N 0 3 355.446 0.590 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCc2cncn2C)C1 ZINC001130592918 1202726570 /nfs/dbraw/zinc/72/65/70/1202726570.db2.gz LMOFPJLQFXDMJT-QILLFSRXSA-N 0 3 370.457 0.276 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C(C)(C)NC(=O)NCC)C[C@H]1c1cn(C)cn1 ZINC001130687499 1202753724 /nfs/dbraw/zinc/75/37/24/1202753724.db2.gz CJJVRFAIRNOQFM-DZGCQCFKSA-N 0 3 362.478 0.588 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CC[C@@]2(C)CCC(=O)N2)C[C@H]1c1cn(C)cn1 ZINC001130746843 1202774753 /nfs/dbraw/zinc/77/47/53/1202774753.db2.gz LCXYFQNTJSCOES-ZSZQSSIHSA-N 0 3 359.474 0.939 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)OCC3CC3)n[n-]2)O1 ZINC001130765575 1202784285 /nfs/dbraw/zinc/78/42/85/1202784285.db2.gz YDEHERFBCBQJAN-VHDGCEQUSA-N 0 3 361.446 0.679 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@@H](C)OCC3CC3)n2)O1 ZINC001130765575 1202784288 /nfs/dbraw/zinc/78/42/88/1202784288.db2.gz YDEHERFBCBQJAN-VHDGCEQUSA-N 0 3 361.446 0.679 20 30 FCEDHN C=CCCC(=O)NCc1n[n-]c([C@H]2CC[C@@H](C[NH2+]CC#CCOC)O2)n1 ZINC001130767767 1202786071 /nfs/dbraw/zinc/78/60/71/1202786071.db2.gz RFRWYAPRVPWBRT-LSDHHAIUSA-N 0 3 361.446 0.847 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cnn(C)c3)n[n-]2)O1 ZINC001130769358 1202786207 /nfs/dbraw/zinc/78/62/07/1202786207.db2.gz FNEWKCBVMLMQIH-LSDHHAIUSA-N 0 3 371.445 0.230 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)Cc3cnn(C)c3)n2)O1 ZINC001130769358 1202786211 /nfs/dbraw/zinc/78/62/11/1202786211.db2.gz FNEWKCBVMLMQIH-LSDHHAIUSA-N 0 3 371.445 0.230 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ocnc3C)n[n-]2)O1 ZINC001130772165 1202787219 /nfs/dbraw/zinc/78/72/19/1202787219.db2.gz BGSTWEVJXWPJHN-QWHCGFSZSA-N 0 3 358.402 0.864 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3ocnc3C)n2)O1 ZINC001130772165 1202787222 /nfs/dbraw/zinc/78/72/22/1202787222.db2.gz BGSTWEVJXWPJHN-QWHCGFSZSA-N 0 3 358.402 0.864 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cccc(=O)[nH]3)n[n-]2)O1 ZINC001130772151 1202787595 /nfs/dbraw/zinc/78/75/95/1202787595.db2.gz ASXIGUUFVVJLGT-GXTWGEPZSA-N 0 3 370.413 0.668 20 30 FCEDHN C#CCOCCC(=O)NCc1n[n-]c([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n1 ZINC001130785239 1202789014 /nfs/dbraw/zinc/78/90/14/1202789014.db2.gz HCVCFIAIWLDMIC-LSDHHAIUSA-N 0 3 359.430 0.294 20 30 FCEDHN C#CCOCCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n[n-]1 ZINC001130785239 1202789017 /nfs/dbraw/zinc/78/90/17/1202789017.db2.gz HCVCFIAIWLDMIC-LSDHHAIUSA-N 0 3 359.430 0.294 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cncnc3)n[n-]2)O1 ZINC001130781185 1202793236 /nfs/dbraw/zinc/79/32/36/1202793236.db2.gz SHPLBUWXBDXNBX-LSDHHAIUSA-N 0 3 369.429 0.287 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)Cc3cncnc3)n2)O1 ZINC001130781185 1202793239 /nfs/dbraw/zinc/79/32/39/1202793239.db2.gz SHPLBUWXBDXNBX-LSDHHAIUSA-N 0 3 369.429 0.287 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC3(OC)CCC3)n[n-]2)O1 ZINC001130783215 1202794747 /nfs/dbraw/zinc/79/47/47/1202794747.db2.gz QNJXFCAPRFDAGQ-UONOGXRCSA-N 0 3 361.446 0.823 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)CC3(OC)CCC3)n2)O1 ZINC001130783215 1202794750 /nfs/dbraw/zinc/79/47/50/1202794750.db2.gz QNJXFCAPRFDAGQ-UONOGXRCSA-N 0 3 361.446 0.823 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3ccc(=O)[nH]c3)n[n-]2)O1 ZINC001130794326 1202794928 /nfs/dbraw/zinc/79/49/28/1202794928.db2.gz RYOVYILNMUZKOO-UONOGXRCSA-N 0 3 370.413 0.207 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)Cc3ccc(=O)[nH]c3)n2)O1 ZINC001130794326 1202794930 /nfs/dbraw/zinc/79/49/30/1202794930.db2.gz RYOVYILNMUZKOO-UONOGXRCSA-N 0 3 370.413 0.207 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3OCC[C@H]3CC)n[n-]2)O1 ZINC001130787196 1202796635 /nfs/dbraw/zinc/79/66/35/1202796635.db2.gz DKKAZVOIIBQOSL-CTASWTNQSA-N 0 3 361.446 0.679 20 30 FCEDHN 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C#CCN1CCC(C(=O)N[C@@H]2CN(CC(=C)C)C[C@@H]2n2ccnn2)CC1 ZINC001070102289 1219177827 /nfs/dbraw/zinc/17/78/27/1219177827.db2.gz AVZUTKJNDIJYSL-MSOLQXFVSA-N 0 3 356.474 0.541 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001227450796 1225875549 /nfs/dbraw/zinc/87/55/49/1225875549.db2.gz NBSLTYRWNYKEGO-YLFCFFPRSA-N 0 3 362.474 0.706 20 30 FCEDHN Cc1ccc2ncc(C(=O)N[C@@H]3CCCC[C@H]3NCC(=O)NCC#N)n2c1 ZINC001227467836 1225875829 /nfs/dbraw/zinc/87/58/29/1225875829.db2.gz MAHWWBWIOAANAG-HUUCEWRRSA-N 0 3 368.441 0.913 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)c(OC)co1 ZINC001227482786 1225876472 /nfs/dbraw/zinc/87/64/72/1225876472.db2.gz CFSIAIMGWWEUHE-CHWSQXEVSA-N 0 3 361.398 0.028 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1nnc2ccccc2n1 ZINC001227535777 1225878229 /nfs/dbraw/zinc/87/82/29/1225878229.db2.gz XBGBKIDJMKUPBV-ZIAGYGMSSA-N 0 3 366.425 0.405 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccnc2[nH]c(C)nc21 ZINC001227637260 1225880596 /nfs/dbraw/zinc/88/05/96/1225880596.db2.gz TVFIKDYBENEOIS-HUUCEWRRSA-N 0 3 368.441 0.646 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cn(CCOC)nc2C)C[C@@H]1n1ccnn1 ZINC001070193512 1219285346 /nfs/dbraw/zinc/28/53/46/1219285346.db2.gz BNURXSURWRWKDC-CVEARBPZSA-N 0 3 359.434 0.271 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)CC)C2)C[C@@H]1n1ccnn1 ZINC001070200405 1219289104 /nfs/dbraw/zinc/28/91/04/1219289104.db2.gz MHCJEFBRCDUEIQ-XHSDSOJGSA-N 0 3 360.462 0.454 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2[nH]c(C)c(C(N)=O)c2CC)C[C@@H]1n1ccnn1 ZINC001070209241 1219294880 /nfs/dbraw/zinc/29/48/80/1219294880.db2.gz UFNNFFBPYRYKLY-KGLIPLIRSA-N 0 3 371.445 0.417 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cc3c(cn2)OCCO3)C[C@@H]1n1ccnn1 ZINC001070210458 1219295516 /nfs/dbraw/zinc/29/55/16/1219295516.db2.gz GKLMTPSUEHJAER-KGLIPLIRSA-N 0 3 356.386 0.286 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCO3)C[C@@H]1n1ccnn1 ZINC001070246044 1219316021 /nfs/dbraw/zinc/31/60/21/1219316021.db2.gz BDQKMOGAXBBEFL-SJORKVTESA-N 0 3 353.426 0.983 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](OC)c1cnn(C)c1 ZINC001227751222 1225883617 /nfs/dbraw/zinc/88/36/17/1225883617.db2.gz YHFZTCJGEBXSSM-INMHGKMJSA-N 0 3 363.462 0.427 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cc2ccccc2C(N)=O)C[C@@H]1n1ccnn1 ZINC001070248041 1219319121 /nfs/dbraw/zinc/31/91/21/1219319121.db2.gz LODSXNHIXXGCBC-CVEARBPZSA-N 0 3 354.414 0.147 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cnnn2-c2ccccc2)C[C@@H]1n1ccnn1 ZINC001070285628 1219349912 /nfs/dbraw/zinc/34/99/12/1219349912.db2.gz CTKJMJQUEDDBNV-WBVHZDCISA-N 0 3 364.413 0.700 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccnc(NC(C)=O)c2)C[C@@H]1n1ccnn1 ZINC001070302435 1219360539 /nfs/dbraw/zinc/36/05/39/1219360539.db2.gz RKYJSBGXFWBBBJ-CABCVRRESA-N 0 3 355.402 0.473 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2c(C(F)(F)F)cnn2C)C[C@@H]1n1ccnn1 ZINC001070319792 1219373212 /nfs/dbraw/zinc/37/32/12/1219373212.db2.gz GVSMPFVDBGZSNI-NEPJUHHUSA-N 0 3 369.351 0.872 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc2c(c1)CCO2 ZINC001227840067 1225888147 /nfs/dbraw/zinc/88/81/47/1225888147.db2.gz XKDSRBZCVIWEJW-IAGOWNOFSA-N 0 3 370.453 0.821 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H](C)c2c(C)nn(C)c2C)C[C@@H]1n1ccnn1 ZINC001070337303 1219385907 /nfs/dbraw/zinc/38/59/07/1219385907.db2.gz ZJDYTZIRYYBAIH-WQVCFCJDSA-N 0 3 357.462 0.960 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001227855752 1225888572 /nfs/dbraw/zinc/88/85/72/1225888572.db2.gz MBCNNRHCPBKASZ-RRFJBIMHSA-N 0 3 364.490 0.304 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cn(C)c(=O)[nH]2)CC1 ZINC001070377124 1219404029 /nfs/dbraw/zinc/40/40/29/1219404029.db2.gz GNLGFJXCQJYVSQ-CJNGLKHVSA-N 0 3 361.446 0.401 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cn2nccc2C)CC1 ZINC001070379440 1219405409 /nfs/dbraw/zinc/40/54/09/1219405409.db2.gz KFDPTXKPXIRZJH-XLIONFOSSA-N 0 3 371.485 0.690 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cn2ccnc2C)CC1 ZINC001070382621 1219407957 /nfs/dbraw/zinc/40/79/57/1219407957.db2.gz IXYIAEJUODCTAK-XLIONFOSSA-N 0 3 371.485 0.690 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccncc1O[C@H]1CCN(CCO)C1 ZINC001070387475 1219408658 /nfs/dbraw/zinc/40/86/58/1219408658.db2.gz RXYBQOJWJCKUGG-BBWFWOEESA-N 0 3 361.442 0.734 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cnc3n[nH]nc3c2)C[C@H]1c1cn(C)cn1 ZINC001070500916 1219441848 /nfs/dbraw/zinc/44/18/48/1219441848.db2.gz NYHGYWBSYUBMQY-SWLSCSKDSA-N 0 3 352.402 0.470 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccoc2CC(N)=O)C[C@H]1c1cn(C)cn1 ZINC001070526264 1219454269 /nfs/dbraw/zinc/45/42/69/1219454269.db2.gz AHBFFEVZPQNWIH-DZGCQCFKSA-N 0 3 357.414 0.425 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccnc3c2nnn3C)C[C@H]1c1cn(C)cn1 ZINC001070526339 1219454502 /nfs/dbraw/zinc/45/45/02/1219454502.db2.gz FCAFYQBNDMKWCK-DZGCQCFKSA-N 0 3 366.429 0.481 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2nccn3ccnc23)C[C@H]1c1cn(C)cn1 ZINC001070535827 1219457895 /nfs/dbraw/zinc/45/78/95/1219457895.db2.gz OVJUGFRPQPAQDD-DZGCQCFKSA-N 0 3 351.414 0.847 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2noc3c2COCC3)C[C@H]1c1cn(C)cn1 ZINC001070565467 1219472261 /nfs/dbraw/zinc/47/22/61/1219472261.db2.gz WUZRNLVWDZMVCQ-SWLSCSKDSA-N 0 3 357.414 0.865 20 30 FCEDHN C#CCCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)n1 ZINC001070586293 1219478741 /nfs/dbraw/zinc/47/87/41/1219478741.db2.gz DVIXPKQVWAFUHJ-UMVBOHGHSA-N 0 3 369.429 0.344 20 30 FCEDHN N#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCO[C@H]2C2CC2)n1 ZINC001070588087 1219479864 /nfs/dbraw/zinc/47/98/64/1219479864.db2.gz OXYOVEWNNYDJBA-NFAWXSAZSA-N 0 3 360.418 0.133 20 30 FCEDHN N#CCN1CCOC[C@@H]1c1nc(CNC(=O)[C@@H]2CCO[C@H]2C2CC2)n[nH]1 ZINC001070588087 1219479877 /nfs/dbraw/zinc/47/98/77/1219479877.db2.gz OXYOVEWNNYDJBA-NFAWXSAZSA-N 0 3 360.418 0.133 20 30 FCEDHN N#CCN1CCOC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCO[C@H]2C2CC2)[nH]1 ZINC001070588087 1219479880 /nfs/dbraw/zinc/47/98/80/1219479880.db2.gz OXYOVEWNNYDJBA-NFAWXSAZSA-N 0 3 360.418 0.133 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1nc([C@H]2COCCN2CC#N)n[nH]1 ZINC001070589774 1219480129 /nfs/dbraw/zinc/48/01/29/1219480129.db2.gz LPOBGXBJDOBHSL-GUTXKFCHSA-N 0 3 360.418 0.299 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1n[nH]c([C@H]2COCCN2CC#N)n1 ZINC001070589774 1219480132 /nfs/dbraw/zinc/48/01/32/1219480132.db2.gz LPOBGXBJDOBHSL-GUTXKFCHSA-N 0 3 360.418 0.299 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1nnc([C@H]2COCCN2CC#N)[nH]1 ZINC001070589774 1219480133 /nfs/dbraw/zinc/48/01/33/1219480133.db2.gz LPOBGXBJDOBHSL-GUTXKFCHSA-N 0 3 360.418 0.299 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cccc3[nH]c(=O)[nH]c32)C[C@H]1c1cncn1C ZINC001070656465 1219510285 /nfs/dbraw/zinc/51/02/85/1219510285.db2.gz IAUQIADTEMHFJP-UKRRQHHQSA-N 0 3 364.409 0.833 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCCn3nccc32)C[C@H]1c1cncn1C ZINC001070662556 1219513491 /nfs/dbraw/zinc/51/34/91/1219513491.db2.gz XZNOTDXYURGZCD-BZUAXINKSA-N 0 3 352.442 0.711 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H](OC)c2cnn(C)c2)C[C@H]1c1cncn1C ZINC001070673545 1219518616 /nfs/dbraw/zinc/51/86/16/1219518616.db2.gz ZJCHPDGJBJNJIN-INMHGKMJSA-N 0 3 356.430 0.059 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)Cc2ccc(OC)cn2)C[C@H]1c1cncn1C ZINC001070682041 1219522772 /nfs/dbraw/zinc/52/27/72/1219522772.db2.gz GZFUQDPFKTXYLW-IAGOWNOFSA-N 0 3 353.426 0.584 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCc3cnc(C)n3C2)C[C@H]1c1cncn1C ZINC001070683545 1219523837 /nfs/dbraw/zinc/52/38/37/1219523837.db2.gz SBGIMSCOWJBKNX-KBAYOESNSA-N 0 3 366.469 0.705 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cc(C(F)(F)F)n[nH]2)C[C@H]1c1cncn1C ZINC001070701960 1219531341 /nfs/dbraw/zinc/53/13/41/1219531341.db2.gz FXTOHQDJXGGTFC-ZYHUDNBSSA-N 0 3 366.347 0.993 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]cc3C2)C[C@H]1c1cncn1C ZINC001070709470 1219536725 /nfs/dbraw/zinc/53/67/25/1219536725.db2.gz IPXWMJMRDOFSDE-FRFSOERESA-N 0 3 352.442 0.466 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2ccc(=O)n(CCC)n2)C[C@H]1c1cncn1C ZINC001070716839 1219539830 /nfs/dbraw/zinc/53/98/30/1219539830.db2.gz CEQZFDZXNFNUBF-GDBMZVCRSA-N 0 3 368.441 0.218 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H](C2CC2)N2CCOCC2)C[C@H]1c1cncn1C ZINC001070720442 1219542264 /nfs/dbraw/zinc/54/22/64/1219542264.db2.gz RDPGPNRTKNUEIJ-ZHALLVOQSA-N 0 3 371.485 0.048 20 30 FCEDHN C=CCN1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001070913369 1219566498 /nfs/dbraw/zinc/56/64/98/1219566498.db2.gz JSHFBZRNFGZYJF-OAGGEKHMSA-N 0 3 362.474 0.763 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CCN(CCN1CCNC1=O)C2 ZINC001072748012 1219621801 /nfs/dbraw/zinc/62/18/01/1219621801.db2.gz RXCQPHMEXKPIQM-CVEARBPZSA-N 0 3 362.474 0.527 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CN(CCc2cnn(C)c2)CCCO1 ZINC001073775066 1219680464 /nfs/dbraw/zinc/68/04/64/1219680464.db2.gz MVQCOIPWGFHZDH-KSZLIROESA-N 0 3 362.474 0.761 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001074520614 1219692813 /nfs/dbraw/zinc/69/28/13/1219692813.db2.gz ZXKUZFLSSUIEEM-OAGGEKHMSA-N 0 3 365.474 0.141 20 30 FCEDHN 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C=CCn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1C(C)(C)O ZINC001340686545 1268623455 /nfs/dbraw/zinc/62/34/55/1268623455.db2.gz CIKNAFQZTUVTTD-UHFFFAOYSA-N 0 3 362.478 0.436 20 30 FCEDHN C=CCn1c(-c2cn[nH]c(=O)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001340803131 1268662820 /nfs/dbraw/zinc/66/28/20/1268662820.db2.gz OELVKKQISAQIMI-AWEZNQCLSA-N 0 3 371.445 0.785 20 30 FCEDHN C=CCn1c(C2CCN(CCO)CC2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001342220983 1269402379 /nfs/dbraw/zinc/40/23/79/1269402379.db2.gz OZEPRLLAYCXJNY-CQSZACIVSA-N 0 3 362.478 0.303 20 30 FCEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCN2C(=O)CNC2=O)cc1 ZINC001342604712 1269535077 /nfs/dbraw/zinc/53/50/77/1269535077.db2.gz HKGJXYWLKFRORB-ZDUSSCGKSA-N 0 3 358.354 0.675 20 30 FCEDHN C=CCCC[C@H](N)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC001343560977 1269947472 /nfs/dbraw/zinc/94/74/72/1269947472.db2.gz PBIFSHRKAICUQA-INIZCTEOSA-N 0 3 374.489 0.645 20 30 FCEDHN C#CCN(C(=O)CCCc1cn[nH]n1)C1CCN([C@H](C)C(=O)N(C)C)CC1 ZINC001574895447 1271657547 /nfs/dbraw/zinc/65/75/47/1271657547.db2.gz UZYQKKYQAWPGLP-OAHLLOKOSA-N 0 3 374.489 0.530 20 30 FCEDHN C#CCN(C(=O)CCCc1c[nH]nn1)C1CCN([C@H](C)C(=O)N(C)C)CC1 ZINC001574895447 1271657550 /nfs/dbraw/zinc/65/75/50/1271657550.db2.gz UZYQKKYQAWPGLP-OAHLLOKOSA-N 0 3 374.489 0.530 20 30 FCEDHN C#CCN(C(=O)c1cc(OCC)n[nH]1)C1CCN(CCc2cn[nH]n2)CC1 ZINC001574928525 1271680634 /nfs/dbraw/zinc/68/06/34/1271680634.db2.gz OSIRLEBOUJBMNW-UHFFFAOYSA-N 0 3 371.445 0.709 20 30 FCEDHN CC#CC[C@H](N)C(=O)N1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC001574961944 1271687160 /nfs/dbraw/zinc/68/71/60/1271687160.db2.gz BQLMUKDNKIHASH-JKSUJKDBSA-N 0 3 350.440 0.731 20 30 FCEDHN C=C(C)CCN1CCO[C@H](CNC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C1 ZINC001575048721 1271699283 /nfs/dbraw/zinc/69/92/83/1271699283.db2.gz QFUWQGCCMWKWGX-SJORKVTESA-N 0 3 362.478 0.552 20 30 FCEDHN C=C(Cl)CNC[C@@H](O)CNC(=O)c1ccc(OCc2cn[nH]n2)cc1 ZINC001575059733 1271703058 /nfs/dbraw/zinc/70/30/58/1271703058.db2.gz PFMXNWREFUDZKJ-CQSZACIVSA-N 0 3 365.821 0.817 20 30 FCEDHN C=CCCC(=O)N1CC2(C1)CCN([C@H](C)C(=O)NCc1c[nH]nn1)CC2 ZINC001575085256 1271713968 /nfs/dbraw/zinc/71/39/68/1271713968.db2.gz GVTYSSFMPDYVSU-CQSZACIVSA-N 0 3 360.462 0.700 20 30 FCEDHN C=CCOCC(=O)N[C@@H]1CN(CCc2cn[nH]n2)CC2(CCOCC2)C1 ZINC001575110132 1271724400 /nfs/dbraw/zinc/72/44/00/1271724400.db2.gz JPNGWMFVXYKYNG-INIZCTEOSA-N 0 3 363.462 0.537 20 30 FCEDHN CC#CCN1CCC(N(Cc2cn[nH]n2)C(=O)[C@H]2C[C@@H]2C(=O)OC)CC1 ZINC001575123156 1271734546 /nfs/dbraw/zinc/73/45/46/1271734546.db2.gz OGJFYXITGLYOET-HOTGVXAUSA-N 0 3 359.430 0.430 20 30 FCEDHN CN(CCNCc1ccccc1C#N)C(=O)[C@@H]1CCCN1Cc1c[nH]nn1 ZINC001576834880 1273761597 /nfs/dbraw/zinc/76/15/97/1273761597.db2.gz YNLAGQNNTORSAK-SFHVURJKSA-N 0 3 367.457 0.889 20 30 FCEDHN COCC#CCNCCN(C)C(=O)c1ccc(OCCc2cn[nH]n2)cc1 ZINC001576951469 1273969936 /nfs/dbraw/zinc/96/99/36/1273969936.db2.gz AMVSXLRDAQOTDV-UHFFFAOYSA-N 0 3 371.441 0.738 20 30 FCEDHN COCC#CCN1CCC(N(Cc2c[nH]nn2)C(=O)c2ncc[nH]2)CC1 ZINC001576951456 1273969999 /nfs/dbraw/zinc/96/99/99/1273969999.db2.gz AGNHTQDJAQZEPK-UHFFFAOYSA-N 0 3 357.418 0.284 20 30 FCEDHN N#Cc1ccc(F)c(CNCCNC(=O)[C@@H]2CCCN2Cc2cn[nH]n2)c1 ZINC001577715052 1274774422 /nfs/dbraw/zinc/77/44/22/1274774422.db2.gz HVCXGGYPQSRHLQ-KRWDZBQOSA-N 0 3 371.420 0.686 20 30 FCEDHN COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H](C)C#N ZINC001712424200 1287240714 /nfs/dbraw/zinc/24/07/14/1287240714.db2.gz BHEZDANEZGRCGO-KGLIPLIRSA-N 0 3 363.466 0.403 20 30 FCEDHN C[NH+]1CCC(NC(=O)CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)CC1 ZINC001579349024 1277205908 /nfs/dbraw/zinc/20/59/08/1277205908.db2.gz JMSSLVVPUPDMHN-UHFFFAOYSA-N 0 3 373.446 0.018 20 30 FCEDHN C[NH+]1CCC(NC(=O)CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)CC1 ZINC001579349024 1277205909 /nfs/dbraw/zinc/20/59/09/1277205909.db2.gz JMSSLVVPUPDMHN-UHFFFAOYSA-N 0 3 373.446 0.018 20 30 FCEDHN COCC#CC[NH2+][C@H](CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001579618785 1277665407 /nfs/dbraw/zinc/66/54/07/1277665407.db2.gz NGCQGDYOPMNUOU-CQSZACIVSA-N 0 3 359.434 0.579 20 30 FCEDHN COCC#CC[NH2+][C@H](CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001579618785 1277665413 /nfs/dbraw/zinc/66/54/13/1277665413.db2.gz NGCQGDYOPMNUOU-CQSZACIVSA-N 0 3 359.434 0.579 20 30 FCEDHN COc1ccc(C[NH2+][C@H](C)CNC(=O)C#CC2CC2)cc1-c1nnn[n-]1 ZINC001580015983 1277991121 /nfs/dbraw/zinc/99/11/21/1277991121.db2.gz UNZBXMYPCBWEHX-GFCCVEGCSA-N 0 3 354.414 0.883 20 30 FCEDHN COc1ccc(C[NH2+][C@H](C)CNC(=O)C#CC2CC2)cc1-c1nn[n-]n1 ZINC001580015983 1277991124 /nfs/dbraw/zinc/99/11/24/1277991124.db2.gz UNZBXMYPCBWEHX-GFCCVEGCSA-N 0 3 354.414 0.883 20 30 FCEDHN COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H](C)C#N)C2)cc1-c1nnn[n-]1 ZINC001580030126 1277996923 /nfs/dbraw/zinc/99/69/23/1277996923.db2.gz MOZWAKVKPBRYRG-RTXFEEFZSA-N 0 3 355.402 0.772 20 30 FCEDHN COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H](C)C#N)C2)cc1-c1nn[n-]n1 ZINC001580030126 1277996930 /nfs/dbraw/zinc/99/69/30/1277996930.db2.gz MOZWAKVKPBRYRG-RTXFEEFZSA-N 0 3 355.402 0.772 20 30 FCEDHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)c1c[nH]c(C#N)c1 ZINC001580274781 1278070300 /nfs/dbraw/zinc/07/03/00/1278070300.db2.gz ZAAOCCCOHIAYAL-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)c1c[nH]c(C#N)c1 ZINC001580274781 1278070308 /nfs/dbraw/zinc/07/03/08/1278070308.db2.gz ZAAOCCCOHIAYAL-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNCc1ccc(F)c(C#N)c1 ZINC001716099559 1287371945 /nfs/dbraw/zinc/37/19/45/1287371945.db2.gz FATCFVQKALUHES-BZUAXINKSA-N 0 3 371.416 0.801 20 30 FCEDHN N#Cc1ccc(C(=O)NCCC[NH2+]Cc2ccccc2-c2nnn[n-]2)[nH]1 ZINC001581867772 1280623348 /nfs/dbraw/zinc/62/33/48/1280623348.db2.gz VHIIWVRMDOVQDZ-UHFFFAOYSA-N 0 3 350.386 0.976 20 30 FCEDHN N#Cc1ccc(C(=O)NCCC[NH2+]Cc2ccccc2-c2nn[n-]n2)[nH]1 ZINC001581867772 1280623355 /nfs/dbraw/zinc/62/33/55/1280623355.db2.gz VHIIWVRMDOVQDZ-UHFFFAOYSA-N 0 3 350.386 0.976 20 30 FCEDHN N#Cc1cccc(C[NH2+]CCCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC001581875070 1280630090 /nfs/dbraw/zinc/63/00/90/1280630090.db2.gz UNALHGAMWVPUEM-UHFFFAOYSA-N 0 3 350.386 0.976 20 30 FCEDHN N#Cc1cccc(C[NH2+]CCCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC001581875070 1280630103 /nfs/dbraw/zinc/63/01/03/1280630103.db2.gz UNALHGAMWVPUEM-UHFFFAOYSA-N 0 3 350.386 0.976 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)NC[C@@H](CC)Nc1ccncc1-c1nn[nH]n1 ZINC001588351106 1282447850 /nfs/dbraw/zinc/44/78/50/1282447850.db2.gz DZONKPRVFZMTTH-CJNGLKHVSA-N 0 3 368.445 0.088 20 30 FCEDHN C#CCNC(=O)C1CC[NH+](CCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588352973 1282449403 /nfs/dbraw/zinc/44/94/03/1282449403.db2.gz CETMGWWGWSZECF-UHFFFAOYSA-N 0 3 354.414 0.707 20 30 FCEDHN C#CCNC(=O)C1CC[NH+](CCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588352973 1282449407 /nfs/dbraw/zinc/44/94/07/1282449407.db2.gz CETMGWWGWSZECF-UHFFFAOYSA-N 0 3 354.414 0.707 20 30 FCEDHN C#CCNC(=O)CC[NH+]1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588354672 1282449807 /nfs/dbraw/zinc/44/98/07/1282449807.db2.gz VHWNQAXVVBNZET-UHFFFAOYSA-N 0 3 354.414 0.849 20 30 FCEDHN C#CCNC(=O)CC[NH+]1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588354672 1282449817 /nfs/dbraw/zinc/44/98/17/1282449817.db2.gz VHWNQAXVVBNZET-UHFFFAOYSA-N 0 3 354.414 0.849 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588355700 1282455521 /nfs/dbraw/zinc/45/55/21/1282455521.db2.gz LKFPYQIXZXFFFZ-BBRMVZONSA-N 0 3 354.414 0.596 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001588355700 1282455532 /nfs/dbraw/zinc/45/55/32/1282455532.db2.gz LKFPYQIXZXFFFZ-BBRMVZONSA-N 0 3 354.414 0.596 20 30 FCEDHN C#CCO[C@H](C)C(=O)NCC[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001588356823 1282463199 /nfs/dbraw/zinc/46/31/99/1282463199.db2.gz GMTLOPAVQZXMCW-UONOGXRCSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@H](C)C(=O)NCC[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001588356823 1282463201 /nfs/dbraw/zinc/46/32/01/1282463201.db2.gz GMTLOPAVQZXMCW-UONOGXRCSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@H](C)C(=O)N(CC)CC[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588357213 1282465123 /nfs/dbraw/zinc/46/51/23/1282465123.db2.gz JCTSDAHRDQARAJ-CQSZACIVSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCO[C@H](C)C(=O)N(CC)CC[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001588357213 1282465130 /nfs/dbraw/zinc/46/51/30/1282465130.db2.gz JCTSDAHRDQARAJ-CQSZACIVSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCO[C@H](C)C(=O)NCCNCc1cc(-c2nn[nH]n2)ccc1OC ZINC001588358192 1282468547 /nfs/dbraw/zinc/46/85/47/1282468547.db2.gz VCMCAHPSPYRZOR-GFCCVEGCSA-N 0 3 358.402 0.119 20 30 FCEDHN C#CCOCCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588359150 1282472158 /nfs/dbraw/zinc/47/21/58/1282472158.db2.gz IFHPKMRKCDOPPC-INIZCTEOSA-N 0 3 368.441 0.987 20 30 FCEDHN C#CCOCCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001588359150 1282472161 /nfs/dbraw/zinc/47/21/61/1282472161.db2.gz IFHPKMRKCDOPPC-INIZCTEOSA-N 0 3 368.441 0.987 20 30 FCEDHN C#CCOCCC(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588359599 1282474989 /nfs/dbraw/zinc/47/49/89/1282474989.db2.gz SUHDARFNWAIXPW-QGZVFWFLSA-N 0 3 368.441 0.939 20 30 FCEDHN C#CCOCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588359599 1282474993 /nfs/dbraw/zinc/47/49/93/1282474993.db2.gz SUHDARFNWAIXPW-QGZVFWFLSA-N 0 3 368.441 0.939 20 30 FCEDHN C#CCOCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588361183 1282481940 /nfs/dbraw/zinc/48/19/40/1282481940.db2.gz GPPYBUNGGGMMPN-QGZVFWFLSA-N 0 3 368.441 0.987 20 30 FCEDHN C#CCOCCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588361183 1282481946 /nfs/dbraw/zinc/48/19/46/1282481946.db2.gz GPPYBUNGGGMMPN-QGZVFWFLSA-N 0 3 368.441 0.987 20 30 FCEDHN C=CC(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588475422 1282515920 /nfs/dbraw/zinc/51/59/20/1282515920.db2.gz NPOJTWAWOVNFNP-GFCCVEGCSA-N 0 3 362.409 0.785 20 30 FCEDHN C=CC(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588475422 1282515933 /nfs/dbraw/zinc/51/59/33/1282515933.db2.gz NPOJTWAWOVNFNP-GFCCVEGCSA-N 0 3 362.409 0.785 20 30 FCEDHN C=C[C@](C)(O)CC(=O)N(C)CCNCc1cc(-c2nn[nH]n2)ccc1OC ZINC001588499906 1282530847 /nfs/dbraw/zinc/53/08/47/1282530847.db2.gz OMMAAHFRPWKUKE-SFHVURJKSA-N 0 3 374.445 0.750 20 30 FCEDHN C=CCCC(=O)NCCN1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001588572287 1282569019 /nfs/dbraw/zinc/56/90/19/1282569019.db2.gz CYALKPNCWVTISD-UHFFFAOYSA-N 0 3 370.461 0.775 20 30 FCEDHN C=CCC[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588577710 1282572163 /nfs/dbraw/zinc/57/21/63/1282572163.db2.gz LVRZKJGFQKQSQZ-SJKOYZFVSA-N 0 3 359.434 0.716 20 30 FCEDHN C=CCC[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588577710 1282572176 /nfs/dbraw/zinc/57/21/76/1282572176.db2.gz LVRZKJGFQKQSQZ-SJKOYZFVSA-N 0 3 359.434 0.716 20 30 FCEDHN C=CCC[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588577710 1282572187 /nfs/dbraw/zinc/57/21/87/1282572187.db2.gz LVRZKJGFQKQSQZ-SJKOYZFVSA-N 0 3 359.434 0.716 20 30 FCEDHN C=CCC[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588577710 1282572202 /nfs/dbraw/zinc/57/22/02/1282572202.db2.gz LVRZKJGFQKQSQZ-SJKOYZFVSA-N 0 3 359.434 0.716 20 30 FCEDHN C=CCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001588601224 1282582602 /nfs/dbraw/zinc/58/26/02/1282582602.db2.gz ZPGLWZKKJLPOPF-SWLSCSKDSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001588601224 1282582614 /nfs/dbraw/zinc/58/26/14/1282582614.db2.gz ZPGLWZKKJLPOPF-SWLSCSKDSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001588639736 1282605748 /nfs/dbraw/zinc/60/57/48/1282605748.db2.gz WISVMQARRXEWJX-OAHLLOKOSA-N 0 3 369.429 0.250 20 30 FCEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001588639736 1282605761 /nfs/dbraw/zinc/60/57/61/1282605761.db2.gz WISVMQARRXEWJX-OAHLLOKOSA-N 0 3 369.429 0.250 20 30 FCEDHN C=CCNC(=O)[C@H](C)[NH2+][C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001588657854 1282607159 /nfs/dbraw/zinc/60/71/59/1282607159.db2.gz YERIJPWGIQSMJM-SMDDNHRTSA-N 0 3 374.449 0.230 20 30 FCEDHN C=CCN1CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1=O ZINC001588657841 1282607467 /nfs/dbraw/zinc/60/74/67/1282607467.db2.gz YCAQBMKNADKLJT-WCQYABFASA-N 0 3 372.433 0.032 20 30 FCEDHN C=CCNC(=O)[C@@H](C)[NH2+][C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001588657435 1282608417 /nfs/dbraw/zinc/60/84/17/1282608417.db2.gz MWGHPLMIRRLTTH-RISCZKNCSA-N 0 3 374.449 0.230 20 30 FCEDHN C=CCNC(=O)[C@H](C)[NH2+][C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001588657436 1282608655 /nfs/dbraw/zinc/60/86/55/1282608655.db2.gz MWGHPLMIRRLTTH-SMDDNHRTSA-N 0 3 374.449 0.230 20 30 FCEDHN C=CCOCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC[C@@H]21 ZINC001588682526 1282639490 /nfs/dbraw/zinc/63/94/90/1282639490.db2.gz HLKWTJONUXBFJV-BBRMVZONSA-N 0 3 371.445 0.934 20 30 FCEDHN C=CCOCC[N@H+]1CC[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC[C@@H]21 ZINC001588682526 1282639504 /nfs/dbraw/zinc/63/95/04/1282639504.db2.gz HLKWTJONUXBFJV-BBRMVZONSA-N 0 3 371.445 0.934 20 30 FCEDHN C=CCOCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC[C@@H]21 ZINC001588682526 1282639516 /nfs/dbraw/zinc/63/95/16/1282639516.db2.gz HLKWTJONUXBFJV-BBRMVZONSA-N 0 3 371.445 0.934 20 30 FCEDHN C=CCOCC[N@H+]1CC[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC[C@@H]21 ZINC001588682526 1282639526 /nfs/dbraw/zinc/63/95/26/1282639526.db2.gz HLKWTJONUXBFJV-BBRMVZONSA-N 0 3 371.445 0.934 20 30 FCEDHN C=CCOCC[N@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1CC ZINC001588683378 1282644937 /nfs/dbraw/zinc/64/49/37/1282644937.db2.gz RFXYXZXYHWJBQR-DZGCQCFKSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1CC ZINC001588683378 1282644951 /nfs/dbraw/zinc/64/49/51/1282644951.db2.gz RFXYXZXYHWJBQR-DZGCQCFKSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[NH+]1CCC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001588683557 1282647411 /nfs/dbraw/zinc/64/74/11/1282647411.db2.gz YCESULJYFVTMMZ-UHFFFAOYSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[NH+]1CCC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001588683557 1282647423 /nfs/dbraw/zinc/64/74/23/1282647423.db2.gz YCESULJYFVTMMZ-UHFFFAOYSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[NH2+]C[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588683559 1282648028 /nfs/dbraw/zinc/64/80/28/1282648028.db2.gz YGMSZJPHLMMBSG-CYBMUJFWSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[NH2+]C[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588683559 1282648045 /nfs/dbraw/zinc/64/80/45/1282648045.db2.gz YGMSZJPHLMMBSG-CYBMUJFWSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[N@H+]1C[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@]2(C)C1 ZINC001588683573 1282649082 /nfs/dbraw/zinc/64/90/82/1282649082.db2.gz YZMDNBDXQUBAKJ-KDOFPFPSSA-N 0 3 371.445 0.791 20 30 FCEDHN C=CCOCC[N@@H+]1C[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@]2(C)C1 ZINC001588683573 1282649096 /nfs/dbraw/zinc/64/90/96/1282649096.db2.gz YZMDNBDXQUBAKJ-KDOFPFPSSA-N 0 3 371.445 0.791 20 30 FCEDHN CC(C)C#CC(=O)N(CCO)CC[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001589380484 1282857928 /nfs/dbraw/zinc/85/79/28/1282857928.db2.gz YVUXBHIDWIRRBU-UHFFFAOYSA-N 0 3 356.430 0.437 20 30 FCEDHN CC(C)C#CC(=O)N(CCO)CC[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001589380484 1282857932 /nfs/dbraw/zinc/85/79/32/1282857932.db2.gz YVUXBHIDWIRRBU-UHFFFAOYSA-N 0 3 356.430 0.437 20 30 FCEDHN COC(=O)[C@H](C)CN(C)C(=O)C(C#N)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001591230340 1284369432 /nfs/dbraw/zinc/36/94/32/1284369432.db2.gz ZPXJBRTWVVDBAO-BXUZGUMPSA-N 0 3 356.386 0.816 20 30 FCEDHN COC(=O)[C@]1(C)CCN(C(=O)C(C#N)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591244491 1284394678 /nfs/dbraw/zinc/39/46/78/1284394678.db2.gz VAQYYQAWNBVJEO-RDTXWAMCSA-N 0 3 368.397 0.961 20 30 FCEDHN COC(=O)[C@H]1CCN(C(=O)C(C#N)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591252575 1284409550 /nfs/dbraw/zinc/40/95/50/1284409550.db2.gz LQGLBSAIZHCMBK-UONOGXRCSA-N 0 3 354.370 0.570 20 30 FCEDHN COCC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001591360534 1284496387 /nfs/dbraw/zinc/49/63/87/1284496387.db2.gz FEUWITMUEOGGGL-TZMCWYRMSA-N 0 3 357.418 0.333 20 30 FCEDHN COCC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001591360534 1284496394 /nfs/dbraw/zinc/49/63/94/1284496394.db2.gz FEUWITMUEOGGGL-TZMCWYRMSA-N 0 3 357.418 0.333 20 30 FCEDHN COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C ZINC001591361813 1284498303 /nfs/dbraw/zinc/49/83/03/1284498303.db2.gz OIFZGXADFIANFS-QWHCGFSZSA-N 0 3 357.418 0.142 20 30 FCEDHN COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001591363875 1284502098 /nfs/dbraw/zinc/50/20/98/1284502098.db2.gz KQVZJFKFCAQOTM-CQSZACIVSA-N 0 3 357.418 0.429 20 30 FCEDHN N#CCSCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001592679610 1285576108 /nfs/dbraw/zinc/57/61/08/1285576108.db2.gz WAUGCPHFAMXJLY-ZDUSSCGKSA-N 0 3 357.443 0.814 20 30 FCEDHN N#CCSCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001592679610 1285576114 /nfs/dbraw/zinc/57/61/14/1285576114.db2.gz WAUGCPHFAMXJLY-ZDUSSCGKSA-N 0 3 357.443 0.814 20 30 FCEDHN O=C(C#CC1CC1)NCCOCCC[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001592768128 1285692690 /nfs/dbraw/zinc/69/26/90/1285692690.db2.gz DISUOAIBNXDAFG-UHFFFAOYSA-N 0 3 368.441 0.893 20 30 FCEDHN O=C(C#CC1CC1)NCCOCCC[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001592768128 1285692700 /nfs/dbraw/zinc/69/27/00/1285692700.db2.gz DISUOAIBNXDAFG-UHFFFAOYSA-N 0 3 368.441 0.893 20 30 FCEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC001602853998 1287138125 /nfs/dbraw/zinc/13/81/25/1287138125.db2.gz PSZZMDLKAHBYNW-OLZOCXBDSA-N 0 3 371.445 0.623 20 30 FCEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC001602853998 1287138131 /nfs/dbraw/zinc/13/81/31/1287138131.db2.gz PSZZMDLKAHBYNW-OLZOCXBDSA-N 0 3 371.445 0.623 20 30 FCEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC001602854167 1287138571 /nfs/dbraw/zinc/13/85/71/1287138571.db2.gz WRMRXJDZLVBEEP-LBPRGKRZSA-N 0 3 357.418 0.092 20 30 FCEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC001602854167 1287138576 /nfs/dbraw/zinc/13/85/76/1287138576.db2.gz WRMRXJDZLVBEEP-LBPRGKRZSA-N 0 3 357.418 0.092 20 30 FCEDHN COc1ccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1-c1nnn[n-]1 ZINC001605279321 1287921329 /nfs/dbraw/zinc/92/13/29/1287921329.db2.gz JFDVPUSPDFAGHE-XYEKJYRLSA-N 0 3 367.413 0.631 20 30 FCEDHN COc1ccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1-c1nn[n-]n1 ZINC001605279321 1287921334 /nfs/dbraw/zinc/92/13/34/1287921334.db2.gz JFDVPUSPDFAGHE-XYEKJYRLSA-N 0 3 367.413 0.631 20 30 FCEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)N(C)CC[NH2+]C ZINC001609055789 1288890398 /nfs/dbraw/zinc/89/03/98/1288890398.db2.gz VOIFUKVFTRLUSZ-UHFFFAOYSA-N 0 3 357.418 0.059 20 30 FCEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)N(C)CC[NH2+]C ZINC001609055789 1288890400 /nfs/dbraw/zinc/89/04/00/1288890400.db2.gz VOIFUKVFTRLUSZ-UHFFFAOYSA-N 0 3 357.418 0.059 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCCC[C@H](NCC(=O)NCC#N)C1 ZINC001692127889 1289402548 /nfs/dbraw/zinc/40/25/48/1289402548.db2.gz DGZVCIUWZXDWMS-BQFCYCMXSA-N 0 3 362.474 0.968 20 30 FCEDHN C=CCOCC(=O)N[C@H]1CCN(C[C@@H]2CCN(S(C)(=O)=O)C2)[C@@H]1C ZINC001692348206 1289448176 /nfs/dbraw/zinc/44/81/76/1289448176.db2.gz NRXVMJFJKKLXGW-ILXRZTDVSA-N 0 3 359.492 0.050 20 30 FCEDHN C[C@H](CNCC(=O)NCC#Cc1ccccc1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001699380647 1289552448 /nfs/dbraw/zinc/55/24/48/1289552448.db2.gz WFTQOFAXAQDSLC-OWYHZJEWSA-N 0 3 369.465 0.816 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CNCC(=O)NC(N)=O)C1CCCC1 ZINC001699795127 1289566757 /nfs/dbraw/zinc/56/67/57/1289566757.db2.gz CSGZGBRXXYXMBX-MCIONIFRSA-N 0 3 352.435 0.037 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CNCC(=O)NC(N)=O)C1CCCC1 ZINC001699795128 1289567417 /nfs/dbraw/zinc/56/74/17/1289567417.db2.gz CSGZGBRXXYXMBX-RDBSUJKOSA-N 0 3 352.435 0.037 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NCC(=O)N(CC)CC)CCOCC1 ZINC001699884360 1289571549 /nfs/dbraw/zinc/57/15/49/1289571549.db2.gz HRXGATKPLFXEFZ-CVEARBPZSA-N 0 3 367.490 0.701 20 30 FCEDHN COCCN(C)CCn1c(CC(C)C)nnc1N1CCO[C@H](C#N)C1 ZINC001619880682 1289966114 /nfs/dbraw/zinc/96/61/14/1289966114.db2.gz BBAFMXKBKYQRSW-OAHLLOKOSA-N 0 3 350.467 0.784 20 30 FCEDHN CCO[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1CNC(=O)C#CC1CC1 ZINC001739940815 1290449050 /nfs/dbraw/zinc/44/90/50/1290449050.db2.gz JXJHCAKKBCCYQP-ZHALLVOQSA-N 0 3 363.502 0.966 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC/C=C\CN[C@H](C)C(=O)NC(=O)NC1CC1 ZINC001754183682 1290627159 /nfs/dbraw/zinc/62/71/59/1290627159.db2.gz ODNZEWCLERIPDD-CKXJLPMSSA-N 0 3 364.446 0.216 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)CN(CC)CC)C1 ZINC001757357086 1290759256 /nfs/dbraw/zinc/75/92/56/1290759256.db2.gz OIMHAOLNCPZBGK-KSZLIROESA-N 0 3 362.518 0.827 20 30 FCEDHN C=CCCC(=O)N1C[C@H]2CCN(C[C@H](O)CN3C(=O)CCC3=O)C[C@H]2C1 ZINC001689215400 1294671153 /nfs/dbraw/zinc/67/11/53/1294671153.db2.gz JLEREFXAUJXGIH-PMPSAXMXSA-N 0 3 363.458 0.243 20 30 FCEDHN CC[C@@H]1CCO[C@@H]1C(=O)N1CCCCC[C@H](NCC(=O)NCC#N)C1 ZINC001689265694 1294703736 /nfs/dbraw/zinc/70/37/36/1294703736.db2.gz ZREYFHAQDYVYBV-VYDXJSESSA-N 0 3 350.463 0.802 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)N(C)Cc1cnn(C)c1 ZINC001690623463 1294877534 /nfs/dbraw/zinc/87/75/34/1294877534.db2.gz OFDXICVCDCPPSH-BMFZPTHFSA-N 0 3 363.462 0.064 20 30 FCEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1C ZINC001690857065 1294888412 /nfs/dbraw/zinc/88/84/12/1294888412.db2.gz QQDKJJKAUOWGHD-CLCXKQKWSA-N 0 3 362.474 0.292 20 30 FCEDHN C#CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001691841250 1294938722 /nfs/dbraw/zinc/93/87/22/1294938722.db2.gz ZEXBFTSXMDGOGS-HIFRSBDPSA-N 0 3 357.458 0.867 20 30 FCEDHN N#Cc1c[nH]c2ncnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164740345 720606607 /nfs/dbraw/zinc/60/66/07/720606607.db2.gz ISCFKPUQLBYHOI-KGLIPLIRSA-N 0 3 362.397 0.961 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001065632932 837404785 /nfs/dbraw/zinc/40/47/85/837404785.db2.gz AKZHKSPERJQSKI-OAGGEKHMSA-N 0 3 353.463 0.261 20 30 FCEDHN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H]2CCCCN2C)C[C@@H]1n1ccnn1 ZINC001070219835 837636105 /nfs/dbraw/zinc/63/61/05/837636105.db2.gz MSCNSUDWXDONBU-ILXRZTDVSA-N 0 3 352.870 0.856 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2csc(NC(C)=O)n2)C[C@@H]1n1ccnn1 ZINC001070224495 837636043 /nfs/dbraw/zinc/63/60/43/837636043.db2.gz JIVRVANHBBOEML-YPMHNXCESA-N 0 3 361.431 0.534 20 30 FCEDHN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]1n1ccnn1 ZINC001070213588 837635184 /nfs/dbraw/zinc/63/51/84/837635184.db2.gz RPFHHQSOGSGMRC-ILXRZTDVSA-N 0 3 354.886 0.958 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cc(C(N)=O)cs2)C[C@H]1c1cn(C)cn1 ZINC001070567981 837659143 /nfs/dbraw/zinc/65/91/43/837659143.db2.gz RZHFWRXZPQVCOG-GXTWGEPZSA-N 0 3 359.455 0.964 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2snnc2C2CC2)C[C@H]1c1cncn1C ZINC001070657984 837666751 /nfs/dbraw/zinc/66/67/51/837666751.db2.gz WOMQDQTVLKIGNA-CHWSQXEVSA-N 0 3 356.455 0.980 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2CCCCS2(=O)=O)C[C@H]1c1cncn1C ZINC001070655418 837666958 /nfs/dbraw/zinc/66/69/58/837666958.db2.gz LKDUFKZVVJPNGC-IIAWOOMASA-N 0 3 366.487 0.457 20 30 FCEDHN C=C(Cl)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC001071077411 837726489 /nfs/dbraw/zinc/72/64/89/837726489.db2.gz JXYQKAYHJUTMJV-ILXRZTDVSA-N 0 3 370.881 0.748 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C[C@H]1C(F)(F)F ZINC001099326439 844025694 /nfs/dbraw/zinc/02/56/94/844025694.db2.gz KWCKVZQTLCWQCF-GHMZBOCLSA-N 0 3 360.336 0.904 20 30 FCEDHN C#CCCCC(=O)N1C[C@H]2CN(CCCNS(=O)(=O)CC)C[C@@]2(C)C1 ZINC001101217153 844107104 /nfs/dbraw/zinc/10/71/04/844107104.db2.gz SLMYSQZKUAKMLU-AEFFLSMTSA-N 0 3 369.531 0.900 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(CCc3ccns3)C[C@H]2O)CC1 ZINC001078227428 839417270 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353.507 0.933 20 30 FCEDHN C#CCN1C[C@@H](C(=O)OCC)C2(CCN(CC(OC)OC)CC2)C1=O ZINC001275494130 861113898 /nfs/dbraw/zinc/11/38/98/861113898.db2.gz SZLNBCRIKWZPBM-AWEZNQCLSA-N 0 3 352.431 0.342 20 30 FCEDHN Cn1cc(CN2CC[C@H]3CN(S(=O)(=O)CC#N)C[C@H]3CC2)cc1C#N ZINC001280296139 863382846 /nfs/dbraw/zinc/38/28/46/863382846.db2.gz PGSQAMKYORQOAQ-IYBDPMFKSA-N 0 3 361.471 0.894 20 30 FCEDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCc1nc(C#N)cs1 ZINC001311806805 867121796 /nfs/dbraw/zinc/12/17/96/867121796.db2.gz WQAZOAQFFTXVLD-CYBMUJFWSA-N 0 3 364.475 0.757 20 30 FCEDHN COCCN(C)CCn1c([C@H]2CCOC2)nnc1N(C)C[C@@H](C)C#N ZINC001316070936 867343206 /nfs/dbraw/zinc/34/32/06/867343206.db2.gz GAWDZWQLEDWWNQ-GJZGRUSLSA-N 0 3 350.467 0.956 20 30 FCEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N(C)[C@H]1CCNC1=O)C(C)C ZINC001323201545 869096599 /nfs/dbraw/zinc/09/65/99/869096599.db2.gz DQUAREFHALFAAC-GJZGRUSLSA-N 0 3 350.463 0.148 20 30 FCEDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@@](C)(C#N)C1 ZINC001325670471 869978488 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C#CCO[C@@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573285246 946774222 /nfs/dbraw/zinc/77/42/22/946774222.db2.gz FZORPTQJHUNIQT-GOEBONIOSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573285246 946774226 /nfs/dbraw/zinc/77/42/26/946774226.db2.gz FZORPTQJHUNIQT-GOEBONIOSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573285392 946778196 /nfs/dbraw/zinc/77/81/96/946778196.db2.gz HASHTPRBLRZEEX-WMLDXEAASA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573285392 946778202 /nfs/dbraw/zinc/77/82/02/946778202.db2.gz HASHTPRBLRZEEX-WMLDXEAASA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NCCC[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573286638 946815532 /nfs/dbraw/zinc/81/55/32/946815532.db2.gz GTCLSJXTYZDRLE-LBPRGKRZSA-N 0 3 360.393 0.640 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NCCC[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573286638 946815543 /nfs/dbraw/zinc/81/55/43/946815543.db2.gz GTCLSJXTYZDRLE-LBPRGKRZSA-N 0 3 360.393 0.640 20 30 FCEDHN C=C(C)CC[NH+]1CCC(CO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573293563 946960281 /nfs/dbraw/zinc/96/02/81/946960281.db2.gz ASJXTDAHJCRXRC-UHFFFAOYSA-N 0 3 359.434 0.718 20 30 FCEDHN C=C(C)CC[NH+]1CCC(CO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573293563 946960285 /nfs/dbraw/zinc/96/02/85/946960285.db2.gz ASJXTDAHJCRXRC-UHFFFAOYSA-N 0 3 359.434 0.718 20 30 FCEDHN C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001573571040 947096165 /nfs/dbraw/zinc/09/61/65/947096165.db2.gz XETNHABQXUMXAJ-VBNZEHGJSA-N 0 3 351.414 0.917 20 30 FCEDHN C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001573571040 947096176 /nfs/dbraw/zinc/09/61/76/947096176.db2.gz XETNHABQXUMXAJ-VBNZEHGJSA-N 0 3 351.414 0.917 20 30 FCEDHN C=CCOCC[NH2+]C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573348441 947583929 /nfs/dbraw/zinc/58/39/29/947583929.db2.gz QQSWLYARTZBFHE-ZDUSSCGKSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[NH2+]C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573348441 947583941 /nfs/dbraw/zinc/58/39/41/947583941.db2.gz QQSWLYARTZBFHE-ZDUSSCGKSA-N 0 3 359.434 0.839 20 30 FCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCn1ncn(C)c1=O ZINC000293014607 214138472 /nfs/dbraw/zinc/13/84/72/214138472.db2.gz HSCMNOOSZJPHIB-UHFFFAOYSA-N 0 3 356.430 0.434 20 30 FCEDHN CN(CCCNS(=O)(=O)N1CCO[C@H](C#N)C1)Cc1ccccc1 ZINC000409554446 529891904 /nfs/dbraw/zinc/89/19/04/529891904.db2.gz PWHZMZXNVPJOLD-MRXNPFEDSA-N 0 3 352.460 0.567 20 30 FCEDHN C#CCN(C)CCCNC(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1 ZINC000931214054 674099943 /nfs/dbraw/zinc/09/99/43/674099943.db2.gz YALBHKNNDNDWQM-UHFFFAOYSA-N 0 3 353.448 0.409 20 30 FCEDHN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CCN(C)C1CC1 ZINC000186708082 209196638 /nfs/dbraw/zinc/19/66/38/209196638.db2.gz IJZNRDHRNJAWNF-CYBMUJFWSA-N 0 3 364.471 0.778 20 30 FCEDHN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CNCCO2)cc1 ZINC000414895161 245329165 /nfs/dbraw/zinc/32/91/65/245329165.db2.gz MNDCRYJDSZBRKW-AWEZNQCLSA-N 0 3 368.459 0.603 20 30 FCEDHN N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CCCC[C@@H]3CN)CC2)cc1 ZINC000423587193 247062984 /nfs/dbraw/zinc/06/29/84/247062984.db2.gz CHPIDZQJIHERHF-GOSISDBHSA-N 0 3 369.469 0.542 20 30 FCEDHN C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)[C@H]1CN ZINC000423740828 247135281 /nfs/dbraw/zinc/13/52/81/247135281.db2.gz SIJJSXPOMJLMAO-HOCLYGCPSA-N 0 3 370.457 0.188 20 30 FCEDHN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)[C@@H](N)CCCC#N)CC2)C1 ZINC000424135854 247172239 /nfs/dbraw/zinc/17/22/39/247172239.db2.gz MYZXTEPXKKDQKQ-BBWFWOEESA-N 0 3 363.506 0.656 20 30 FCEDHN N#CCCC[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000424165825 247174280 /nfs/dbraw/zinc/17/42/80/247174280.db2.gz FJPNKVONJVMKQX-SJORKVTESA-N 0 3 358.442 0.594 20 30 FCEDHN N#CCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000424165824 247174600 /nfs/dbraw/zinc/17/46/00/247174600.db2.gz FJPNKVONJVMKQX-IRXDYDNUSA-N 0 3 358.442 0.594 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc(-n3nnnc3C)c2)CC1 ZINC000442297530 248283806 /nfs/dbraw/zinc/28/38/06/248283806.db2.gz CUJZPVYZDXOQJG-UHFFFAOYSA-N 0 3 369.429 0.676 20 30 FCEDHN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000452974620 249338784 /nfs/dbraw/zinc/33/87/84/249338784.db2.gz MFNUDZGCSJQEIL-IVMMDQJWSA-N 0 3 362.455 0.388 20 30 FCEDHN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)O1 ZINC000471107991 250091535 /nfs/dbraw/zinc/09/15/35/250091535.db2.gz VAZNIMMQJVHEIJ-ZACQAIPSSA-N 0 3 354.410 0.993 20 30 FCEDHN N#Cc1ccc(CC(C#N)C(=O)NCCN2CCS(=O)(=O)CC2)cc1 ZINC000471883894 250121905 /nfs/dbraw/zinc/12/19/05/250121905.db2.gz LONIFADCLCVRRR-MRXNPFEDSA-N 0 3 360.439 0.087 20 30 FCEDHN COCCC(=O)N1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000473218743 250208728 /nfs/dbraw/zinc/20/87/28/250208728.db2.gz AFKQFMULVPYDTK-QGZVFWFLSA-N 0 3 354.410 0.948 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@H](CO)OC[C@H]2C)cc1 ZINC000481016182 250309311 /nfs/dbraw/zinc/30/93/11/250309311.db2.gz PCIZGPRRHYNSGM-MBNYWOFBSA-N 0 3 367.427 0.986 20 30 FCEDHN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000482398681 250389168 /nfs/dbraw/zinc/38/91/68/250389168.db2.gz OJCRNDWZRHZOJX-YDHLFZDLSA-N 0 3 364.471 0.824 20 30 FCEDHN Cc1cccc(CN(CCN(C)C)c2c(C#N)c(=O)n(C)c(=O)n2C)c1 ZINC000268350819 210766869 /nfs/dbraw/zinc/76/68/69/210766869.db2.gz UVIHAKKHUKUBII-UHFFFAOYSA-N 0 3 355.442 0.832 20 30 FCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](C(N)=O)CC[C@@H]3C)CC2)o1 ZINC000111219837 208274903 /nfs/dbraw/zinc/27/49/03/208274903.db2.gz QRDOGVKJYYDOAM-GXTWGEPZSA-N 0 3 374.445 0.089 20 30 FCEDHN COCCN(CCC#N)S(=O)(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000410132104 533329402 /nfs/dbraw/zinc/32/94/02/533329402.db2.gz BOESAFQRBPBICR-INIZCTEOSA-N 0 3 358.508 0.947 20 30 FCEDHN COC(=O)[C@H]1CN(C)CCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000411900382 533486964 /nfs/dbraw/zinc/48/69/64/533486964.db2.gz DWUZRVHWUFIFBV-ZDUSSCGKSA-N 0 3 350.444 0.985 20 30 FCEDHN N#C[C@@H]1CN(S(=O)(=O)N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)CCO1 ZINC000409485253 230020765 /nfs/dbraw/zinc/02/07/65/230020765.db2.gz JTFFGRVLXOJIGQ-FVQBIDKESA-N 0 3 354.476 0.404 20 30 FCEDHN N#C[C@@H]1CN(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3C3CC3)C2)CCO1 ZINC000409485249 230021531 /nfs/dbraw/zinc/02/15/31/230021531.db2.gz JTFFGRVLXOJIGQ-BMFZPTHFSA-N 0 3 354.476 0.404 20 30 FCEDHN N#C[C@H]1CN(S(=O)(=O)NC[C@H](c2ccccc2)N2CCCC2)CCO1 ZINC000409527003 230025720 /nfs/dbraw/zinc/02/57/20/230025720.db2.gz DZMTVTIFSLDTMA-DLBZAZTESA-N 0 3 364.471 0.882 20 30 FCEDHN COCCN(CCC#N)S(=O)(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000410426258 230074554 /nfs/dbraw/zinc/07/45/54/230074554.db2.gz GUWBLKAZQYCLKG-HNNXBMFYSA-N 0 3 362.496 0.184 20 30 FCEDHN COCCO[C@@H]1C[C@H](CO)CN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000278358203 488870634 /nfs/dbraw/zinc/87/06/34/488870634.db2.gz RDDGBGPBPCQCTE-JENIJYKNSA-N 0 3 364.442 0.644 20 30 FCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCC(C)(C)O ZINC000287939764 488924264 /nfs/dbraw/zinc/92/42/64/488924264.db2.gz FQWCFHWBYVOQLP-UHFFFAOYSA-N 0 3 360.458 0.726 20 30 FCEDHN C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CCCCN2CC)C1=O ZINC000287980937 488928955 /nfs/dbraw/zinc/92/89/55/488928955.db2.gz RIUKSZDLQYSCJL-GJZGRUSLSA-N 0 3 350.463 0.222 20 30 FCEDHN Cc1nc(C#N)c(N2CCC(C(=O)N3CCO[C@@H](CN(C)C)C3)CC2)o1 ZINC000328763742 488936498 /nfs/dbraw/zinc/93/64/98/488936498.db2.gz OJXGZYUUPQXETI-HNNXBMFYSA-N 0 3 361.446 0.860 20 30 FCEDHN CC(C)CN1CCO[C@H](CNC(=O)CN2CCO[C@@H]3CCN(C)C[C@H]32)C1 ZINC000329021420 488960761 /nfs/dbraw/zinc/96/07/61/488960761.db2.gz MEDBMCVLUAYPRS-KZNAEPCWSA-N 0 3 368.522 0.705 20 30 FCEDHN CC(C)CN1CCO[C@H](CNC(=O)CN2CCO[C@@H]3CCN(C)C[C@@H]32)C1 ZINC000329021419 488961081 /nfs/dbraw/zinc/96/10/81/488961081.db2.gz MEDBMCVLUAYPRS-FGTMMUONSA-N 0 3 368.522 0.705 20 30 FCEDHN CN(CC(=O)NCCN1CCCCC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000046853731 487996209 /nfs/dbraw/zinc/99/62/09/487996209.db2.gz OZZHVTJGGTZICO-UHFFFAOYSA-N 0 3 364.471 0.781 20 30 FCEDHN CN(C)Cc1cccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)c1 ZINC000048706753 488080296 /nfs/dbraw/zinc/08/02/96/488080296.db2.gz VMEFVOAMJZIBIC-UHFFFAOYSA-N 0 3 369.429 0.613 20 30 FCEDHN COc1ccc(C#N)cc1NC(=O)C(=O)NCCCN1CCN(C)CC1 ZINC000050148624 488105611 /nfs/dbraw/zinc/10/56/11/488105611.db2.gz IFXRRFPTAHYRIV-UHFFFAOYSA-N 0 3 359.430 0.259 20 30 FCEDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000364494546 488965568 /nfs/dbraw/zinc/96/55/68/488965568.db2.gz XXRMQLLQLKRXTQ-MRXNPFEDSA-N 0 3 369.425 0.262 20 30 FCEDHN C[C@@H]1C[C@H](NC(=O)N2CCC[C@@](O)(C(=O)N3CCCC3)C2)CN1C1CC1 ZINC000329079731 488966593 /nfs/dbraw/zinc/96/65/93/488966593.db2.gz RBLOKVDJMKROKE-VCBZYWHSSA-N 0 3 364.490 0.975 20 30 FCEDHN C#CCN1CCC(C(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000067845953 488357007 /nfs/dbraw/zinc/35/70/07/488357007.db2.gz LIYJAVUOUMSXIV-HNNXBMFYSA-N 0 3 360.410 0.616 20 30 FCEDHN CN(C)C[C@H](O)CNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000077695629 488416896 /nfs/dbraw/zinc/41/68/96/488416896.db2.gz LURHATCOEUPKMO-GOSISDBHSA-N 0 3 366.421 0.459 20 30 FCEDHN CN(C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1cccc(C#N)n1 ZINC000569843477 491197329 /nfs/dbraw/zinc/19/73/29/491197329.db2.gz CVHGZJXRMQNEGO-UHFFFAOYSA-N 0 3 352.398 0.877 20 30 FCEDHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000198409303 488438948 /nfs/dbraw/zinc/43/89/48/488438948.db2.gz TUIDRJWDRFMOMQ-UHFFFAOYSA-N 0 3 364.471 0.733 20 30 FCEDHN C[C@H](O)c1cn(CC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)nn1 ZINC000268866128 488454232 /nfs/dbraw/zinc/45/42/32/488454232.db2.gz PMARNYOXLSIKPO-AWEZNQCLSA-N 0 3 356.430 0.793 20 30 FCEDHN CN1CCC(O)(CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 ZINC000088778268 488456695 /nfs/dbraw/zinc/45/66/95/488456695.db2.gz NNOBEMKMGBWPRT-UHFFFAOYSA-N 0 3 350.806 0.723 20 30 FCEDHN CN1CCC[C@H](CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000569862821 491199678 /nfs/dbraw/zinc/19/96/78/491199678.db2.gz RCRIOIAXOKTEPU-CQSZACIVSA-N 0 3 350.444 0.295 20 30 FCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H]3C[C@H](C)O)CC2)o1 ZINC000246483296 488473049 /nfs/dbraw/zinc/47/30/49/488473049.db2.gz AHFSAUOGFHVRGA-ZFWWWQNUSA-N 0 3 361.446 0.739 20 30 FCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@H](C(N)=O)CC[C@H]3C)CC2)o1 ZINC000247674714 488488923 /nfs/dbraw/zinc/48/89/23/488488923.db2.gz QRDOGVKJYYDOAM-OCCSQVGLSA-N 0 3 374.445 0.089 20 30 FCEDHN C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@](C)(O)CN(C)C ZINC000269915725 488513789 /nfs/dbraw/zinc/51/37/89/488513789.db2.gz OSPUVGKGLQEPKR-QGZVFWFLSA-N 0 3 351.378 0.205 20 30 FCEDHN C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C)cc(CN(C)C)c2)C1=O ZINC000270383207 488516284 /nfs/dbraw/zinc/51/62/84/488516284.db2.gz OJKLFVRILAXSPF-UHFFFAOYSA-N 0 3 358.398 0.972 20 30 FCEDHN COC(=O)CCN1CCN(C[C@H](O)COc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000271726111 488542033 /nfs/dbraw/zinc/54/20/33/488542033.db2.gz MCWIMQTXIXFYMQ-RDJZCZTQSA-N 0 3 361.442 0.867 20 30 FCEDHN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000120360944 488561389 /nfs/dbraw/zinc/56/13/89/488561389.db2.gz PZTZTMDXBHGVNE-ZFWWWQNUSA-N 0 3 364.471 0.683 20 30 FCEDHN C=CCOc1cccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)c1 ZINC000124191792 488590531 /nfs/dbraw/zinc/59/05/31/488590531.db2.gz MNMQACLHKAIAAU-UHFFFAOYSA-N 0 3 360.458 0.944 20 30 FCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(CC(C)C)CC3)CC2)o1 ZINC000126656056 488611104 /nfs/dbraw/zinc/61/11/04/488611104.db2.gz HSEGWLQWHYORRX-UHFFFAOYSA-N 0 3 374.489 0.777 20 30 FCEDHN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CCCN1C ZINC000130689301 488639946 /nfs/dbraw/zinc/63/99/46/488639946.db2.gz OIJVHHXPUAJSCC-TZMCWYRMSA-N 0 3 350.444 0.435 20 30 FCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H]3CCCC[C@@H]3C(N)=O)CC2)o1 ZINC000131327863 488645032 /nfs/dbraw/zinc/64/50/32/488645032.db2.gz HPBOCALIYJGFID-UONOGXRCSA-N 0 3 374.445 0.137 20 30 FCEDHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 ZINC000264098612 488647927 /nfs/dbraw/zinc/64/79/27/488647927.db2.gz IAYUTUWLEARIJV-UHFFFAOYSA-N 0 3 365.459 0.128 20 30 FCEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC(C(=O)N3CCOCC3)CC2)cc1 ZINC000274045886 488680978 /nfs/dbraw/zinc/68/09/78/488680978.db2.gz KANMUYHJMVWYQQ-SFHVURJKSA-N 0 3 373.453 0.869 20 30 FCEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCCN1CCN(C)CC1 ZINC000141781244 488688917 /nfs/dbraw/zinc/68/89/17/488688917.db2.gz OGRWALYKGXHVIX-UHFFFAOYSA-N 0 3 373.457 0.649 20 30 FCEDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)COc2ccc(C#N)cc2)CC1 ZINC000152897231 488724493 /nfs/dbraw/zinc/72/44/93/488724493.db2.gz JLKZUWUKUOHINN-QGZVFWFLSA-N 0 3 356.426 0.702 20 30 FCEDHN C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1=O ZINC000274643241 488724830 /nfs/dbraw/zinc/72/48/30/488724830.db2.gz RLCWFCJCQVEMLZ-BBRMVZONSA-N 0 3 372.425 0.771 20 30 FCEDHN CCN(C[C@H](C)C#N)C(=O)CN1CCC(C(=O)NCCN(C)C)CC1 ZINC000171656486 488825103 /nfs/dbraw/zinc/82/51/03/488825103.db2.gz CKHRMSWUABPUPN-OAHLLOKOSA-N 0 3 351.495 0.384 20 30 FCEDHN C=CCN1CCC(NC(=O)NCc2cccc(S(N)(=O)=O)c2)CC1 ZINC000171716196 488826252 /nfs/dbraw/zinc/82/62/52/488826252.db2.gz KIORBWXASINCSW-UHFFFAOYSA-N 0 3 352.460 0.784 20 30 FCEDHN C=CCN1CCC(NC(=O)NCCS(=O)(=O)NCC2CCC2)CC1 ZINC000171760852 488826912 /nfs/dbraw/zinc/82/69/12/488826912.db2.gz JFKVABJAKQYKDK-UHFFFAOYSA-N 0 3 358.508 0.656 20 30 FCEDHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000329152607 488974889 /nfs/dbraw/zinc/97/48/89/488974889.db2.gz ATXABRKNNKDVML-KGLIPLIRSA-N 0 3 374.445 0.848 20 30 FCEDHN CN1CCC(O)(CNC(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000329189550 488978801 /nfs/dbraw/zinc/97/88/01/488978801.db2.gz RLIPCSIRUFZUCW-AWEZNQCLSA-N 0 3 352.479 0.880 20 30 FCEDHN C[C@H](CNC(=O)N1C[C@H](N2CCOCC2)C[C@H]1C)CN1CCN(C)CC1 ZINC000329254697 488985952 /nfs/dbraw/zinc/98/59/52/488985952.db2.gz ZYGHJUXXNAVUGG-KZNAEPCWSA-N 0 3 367.538 0.579 20 30 FCEDHN C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CCN1C ZINC000329292888 488990186 /nfs/dbraw/zinc/99/01/86/488990186.db2.gz RJMCPZVQTJAIKR-MGPQQGTHSA-N 0 3 358.508 0.929 20 30 FCEDHN CC(=O)N1CCN(C(=O)CCNC(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000329296408 488990998 /nfs/dbraw/zinc/99/09/98/488990998.db2.gz OSVMTRBGOMTLMI-HNNXBMFYSA-N 0 3 367.494 0.303 20 30 FCEDHN CN1CCN(C)[C@H](CNC(=O)N2CCC(CCN3CCOCC3)CC2)C1 ZINC000329399215 489001617 /nfs/dbraw/zinc/00/16/17/489001617.db2.gz YJEOCADNTZCTAQ-GOSISDBHSA-N 0 3 367.538 0.581 20 30 FCEDHN O=C(CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)NCC1CC1 ZINC000329417600 489002483 /nfs/dbraw/zinc/00/24/83/489002483.db2.gz GBMPEZIGCPDPQD-UHFFFAOYSA-N 0 3 351.451 0.507 20 30 FCEDHN CN(C)c1noc(CNC(=O)N2CCC(CN3CCN(C)CC3)CC2)n1 ZINC000329666475 489025156 /nfs/dbraw/zinc/02/51/56/489025156.db2.gz QGTCISFNNGTYJS-UHFFFAOYSA-N 0 3 365.482 0.509 20 30 FCEDHN C[C@@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C1=CCN(C)CC1 ZINC000329711128 489029951 /nfs/dbraw/zinc/02/99/51/489029951.db2.gz OESXEZUWXIFDTB-LLVKDONJSA-N 0 3 360.418 0.041 20 30 FCEDHN 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CC#CCN[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1c1ccccc1 ZINC001211691097 1186097477 /nfs/dbraw/zinc/09/74/77/1186097477.db2.gz UZIRDMYKPKOMRH-JKSUJKDBSA-N 0 3 354.410 0.146 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3OCC[C@H]3C)C2)CC1 ZINC000980575090 1186230330 /nfs/dbraw/zinc/23/03/30/1186230330.db2.gz SMDNGZNVRUTXNU-AHCXZYCDSA-N 0 3 361.486 0.768 20 30 FCEDHN C=CCN1CC[C@H](N2C[C@@H]3CCN(C(=O)Cn4cc(C)cn4)[C@@H]3C2)C1=O ZINC001075595588 1186300539 /nfs/dbraw/zinc/30/05/39/1186300539.db2.gz BAFXDYNZRYJEKU-YESZJQIVSA-N 0 3 357.458 0.511 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(CCO)CCNC(=O)CN1CCC(C)(C)C1 ZINC001058875322 1186376562 /nfs/dbraw/zinc/37/65/62/1186376562.db2.gz NQWKQPOMOJBBTC-CVEARBPZSA-N 0 3 367.490 0.247 20 30 FCEDHN C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001087438924 1186695833 /nfs/dbraw/zinc/69/58/33/1186695833.db2.gz WYAZRNMMNLJJRZ-IXDOHACOSA-N 0 3 368.437 0.582 20 30 FCEDHN C=CCN1CC[C@@H](N2C[C@@H]3CCN(C(=O)Cc4cccnc4)[C@@H]3C2)C1=O ZINC001075692335 1187841440 /nfs/dbraw/zinc/84/14/40/1187841440.db2.gz ULZRYKIIMDWCAK-RCCFBDPRSA-N 0 3 354.454 0.944 20 30 FCEDHN C=CCN1CC[C@H](N2C[C@@H]3CCN(C(=O)c4cc(C)ncn4)[C@@H]3C2)C1=O ZINC001075697768 1187858412 /nfs/dbraw/zinc/85/84/12/1187858412.db2.gz IPFRDYJLWJTGTQ-BHYGNILZSA-N 0 3 355.442 0.718 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1CNCC(=O)N1CCOCC1 ZINC001270150924 1188030996 /nfs/dbraw/zinc/03/09/96/1188030996.db2.gz QTYBPZXFUVSXGS-RYRKJORJSA-N 0 3 365.474 0.407 20 30 FCEDHN C=CCN1CC[C@@H](N2C[C@@H]3CCN(C(=O)Cc4ccnn4C)[C@@H]3C2)C1=O ZINC001075737636 1188046450 /nfs/dbraw/zinc/04/64/50/1188046450.db2.gz RZURZPOOAVVRAF-USXIJHARSA-N 0 3 357.458 0.282 20 30 FCEDHN CN(C)CCN1CC[C@]2(CCN(C(=O)Cc3ccnc(C#N)c3)C2)C1=O ZINC001270521117 1188184183 /nfs/dbraw/zinc/18/41/83/1188184183.db2.gz AXGUCMDHIPIDNP-LJQANCHMSA-N 0 3 355.442 0.508 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CCNCC(=O)N1CCO[C@@H](C)C1 ZINC001691511548 1188382597 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FZRUQGDZAKFQTE-ZWKOTPCHSA-N 0 3 359.470 0.928 20 30 FCEDHN C=CCC[C@@H](C)N1C[C@H]2OCCN(C(=O)c3cn(CCOC)nn3)[C@H]2C1 ZINC001217869110 1224129500 /nfs/dbraw/zinc/12/95/00/1224129500.db2.gz RAPFFXJKBHVUEO-HYVNUMGLSA-N 0 3 363.462 0.804 20 30 FCEDHN C=CCCCN1C[C@H]2OCCN(C(=O)Cc3nnn(C(C)(C)C)n3)[C@H]2C1 ZINC001217960158 1224133916 /nfs/dbraw/zinc/13/39/16/1224133916.db2.gz UITWBOXFHLCCAW-LSDHHAIUSA-N 0 3 362.478 0.848 20 30 FCEDHN C=CCCCN1C[C@H]2OCCN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 ZINC001218333508 1224154365 /nfs/dbraw/zinc/15/43/65/1224154365.db2.gz SFHBZMPJGHNBOR-LTIDMASMSA-N 0 3 365.474 0.677 20 30 FCEDHN CO[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)CCc1nc[nH]n1 ZINC001212111458 1193719331 /nfs/dbraw/zinc/71/93/31/1193719331.db2.gz BJUYPIQADLJUDC-HZPDHXFCSA-N 0 3 354.414 0.625 20 30 FCEDHN C#CCCCC(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC(=O)N(C)C)C2)[C@H]1C(C)C ZINC001105622687 1193841545 /nfs/dbraw/zinc/84/15/45/1193841545.db2.gz FMWLZZYZBRQZJP-XNFNUYLZSA-N 0 3 363.502 0.844 20 30 FCEDHN C=CCN1CC[C@@H](N2C[C@@H]3CCN(C(=O)c4ccnnc4C)[C@@H]3C2)C1=O ZINC001075993873 1193936242 /nfs/dbraw/zinc/93/62/42/1193936242.db2.gz BHCWABUBERHITB-USXIJHARSA-N 0 3 355.442 0.718 20 30 FCEDHN N#CCNC(=O)CNC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000553793487 1194019662 /nfs/dbraw/zinc/01/96/62/1194019662.db2.gz UZISAYLGOBMABE-UHFFFAOYSA-N 0 3 372.473 0.528 20 30 FCEDHN C=CCn1cccc1C(=O)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001083526340 1194171527 /nfs/dbraw/zinc/17/15/27/1194171527.db2.gz NCPIMFRTWBEKNW-INMHGKMJSA-N 0 3 360.458 0.365 20 30 FCEDHN C#Cc1cncc(C(=O)N2CC[C@H]3CN([C@@H]4CCN(CC=C)C4=O)C[C@H]32)c1 ZINC001076223044 1194357878 /nfs/dbraw/zinc/35/78/78/1194357878.db2.gz FQCNTKFOBHMPAT-QXAKKESOSA-N 0 3 364.449 0.996 20 30 FCEDHN C=CCN1CC[C@@H](N2C[C@@H]3CCN(C(=O)Cn4ccccc4=O)[C@@H]3C2)C1=O ZINC001076554208 1194553851 /nfs/dbraw/zinc/55/38/51/1194553851.db2.gz JJBUQNISJBNCGO-GVDBMIGSSA-N 0 3 370.453 0.168 20 30 FCEDHN C#CCN1CCC(C(=O)N2CC[C@H]3CN(Cc4cnnn4C)C[C@H]32)CC1 ZINC001076604425 1194592512 /nfs/dbraw/zinc/59/25/12/1194592512.db2.gz FEGRVHLSSAFZRQ-FUHWJXTLSA-N 0 3 356.474 0.193 20 30 FCEDHN C#CCN1CCC(C(=O)N2CC[C@H]3CN([C@@H](C)c4nnnn4C)C[C@H]32)CC1 ZINC001076604875 1194593688 /nfs/dbraw/zinc/59/36/88/1194593688.db2.gz VPBDGVQEJAASPS-BHYGNILZSA-N 0 3 371.489 0.149 20 30 FCEDHN CCOC(=O)c1cc(C#N)c(NC(=O)[C@@]23C[NH2+]C[C@H]2CCN3)c(C)c1[O-] ZINC001218935455 1224265908 /nfs/dbraw/zinc/26/59/08/1224265908.db2.gz WIUKJOKYMDQZNK-KZULUSFZSA-N 0 3 358.398 0.639 20 30 FCEDHN C=CCn1cccc1C(=O)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001077138774 1195251582 /nfs/dbraw/zinc/25/15/82/1195251582.db2.gz NCPIMFRTWBEKNW-ZMSDIMECSA-N 0 3 360.458 0.365 20 30 FCEDHN C=CCNC(=O)CNCCNC(=O)[C@@H]1C[C@H]1c1cc(OC)ccc1OC ZINC001127190592 1196807374 /nfs/dbraw/zinc/80/73/74/1196807374.db2.gz YJFSJBJRDNUKPX-GOEBONIOSA-N 0 3 361.442 0.815 20 30 FCEDHN C#Cc1ccc(C(=O)N[C@H]2CCN(C[C@H](O)Cn3cccn3)[C@@H]2C)nc1 ZINC001088990919 1196859025 /nfs/dbraw/zinc/85/90/25/1196859025.db2.gz XKZGSMXHLGIVEM-PVAVHDDUSA-N 0 3 353.426 0.513 20 30 FCEDHN CCCN(C)CC(=O)N1C[C@@H](Nc2ccc(C#N)nn2)[C@@H](n2ccnn2)C1 ZINC001089089193 1196893933 /nfs/dbraw/zinc/89/39/33/1196893933.db2.gz BBWYWEDFUYXPCT-CABCVRRESA-N 0 3 369.433 0.146 20 30 FCEDHN C=CCn1c(Cc2noc(C3(CN(C)C)CC3)n2)nnc1N1CCOCC1 ZINC000923855896 1197643747 /nfs/dbraw/zinc/64/37/47/1197643747.db2.gz AFQRCLBSRDTJDX-UHFFFAOYSA-N 0 3 373.461 0.868 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H](C)C2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1 ZINC001006242780 1197816195 /nfs/dbraw/zinc/81/61/95/1197816195.db2.gz VUGKNZVPZQGCOR-PIKADFDJSA-N 0 3 373.497 0.862 20 30 FCEDHN C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1C ZINC001106570286 1198014159 /nfs/dbraw/zinc/01/41/59/1198014159.db2.gz UDRWPDYUCPIITO-MRVWCRGKSA-N 0 3 361.446 0.479 20 30 FCEDHN CC(C)NC(=O)C(C#N)C(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000766254192 1198044089 /nfs/dbraw/zinc/04/40/89/1198044089.db2.gz DSCOVASKBJFSOV-CQSZACIVSA-N 0 3 372.429 0.139 20 30 FCEDHN C[C@H](O)C(=O)N1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000766266558 1198075397 /nfs/dbraw/zinc/07/53/97/1198075397.db2.gz DSYAAONFUWDLEC-STQMWFEESA-N 0 3 372.450 0.998 20 30 FCEDHN COCCCNC(=O)C(C#N)C(=O)[C@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000741429213 1198097483 /nfs/dbraw/zinc/09/74/83/1198097483.db2.gz DGTZZCMMDKPUFP-LSDHHAIUSA-N 0 3 366.462 0.926 20 30 FCEDHN C#CCNC(=O)CC(=O)N[C@@H]1CN([C@H](C)c2cc(C)ccc2C)C[C@@H]1O ZINC001219492732 1224486939 /nfs/dbraw/zinc/48/69/39/1224486939.db2.gz YAQMCCBWCXVLAS-NXHRZFHOSA-N 0 3 357.454 0.665 20 30 FCEDHN C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCCOC ZINC001109121590 1200063365 /nfs/dbraw/zinc/06/33/65/1200063365.db2.gz DUKVJMMMNTTYBF-BDXSIMOUSA-N 0 3 370.490 0.715 20 30 FCEDHN C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)Cc1ccccc1 ZINC001109171031 1200080162 /nfs/dbraw/zinc/08/01/62/1200080162.db2.gz BFZJMOLZZRLNJL-YRXWBPOGSA-N 0 3 369.465 0.451 20 30 FCEDHN N#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)N1CCCC1)C2 ZINC001109555524 1200388135 /nfs/dbraw/zinc/38/81/35/1200388135.db2.gz UVCILZUHJMEYPD-MUQADHOPSA-N 0 3 359.474 0.222 20 30 FCEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)c[nH]c1CC(N)=O)C2 ZINC001109740192 1200497943 /nfs/dbraw/zinc/49/79/43/1200497943.db2.gz OKXUWIBJUUFBHY-YCPHGPKFSA-N 0 3 360.458 0.889 20 30 FCEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c(C)cc(C)nc1=O)C2 ZINC001109888469 1200589645 /nfs/dbraw/zinc/58/96/45/1200589645.db2.gz IGQFKLRGOSCKLB-IKGGRYGDSA-N 0 3 360.458 0.784 20 30 FCEDHN N#CC(C(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)NCc1ccc(F)cc1F ZINC000786558467 1200842704 /nfs/dbraw/zinc/84/27/04/1200842704.db2.gz CSMQHLGXVXUNIK-SNVBAGLBSA-N 0 3 364.268 0.490 20 30 FCEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCN1C(=O)CNC1=O)C2 ZINC001110082179 1200860519 /nfs/dbraw/zinc/86/05/19/1200860519.db2.gz AJNHTDNRNMZGPC-ILXRZTDVSA-N 0 3 364.446 0.243 20 30 FCEDHN C[C@H](NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccc(C#N)cc1 ZINC000787349899 1200880203 /nfs/dbraw/zinc/88/02/03/1200880203.db2.gz NYDRYUXVCPLKIP-JQFCIGGWSA-N 0 3 356.426 0.715 20 30 FCEDHN CC(C)(C)N1CCCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 ZINC000787776145 1200907062 /nfs/dbraw/zinc/90/70/62/1200907062.db2.gz CZZPOKBWYHUFPZ-UHFFFAOYSA-N 0 3 372.473 0.814 20 30 FCEDHN N#Cc1cccnc1NCCNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000787786722 1200911819 /nfs/dbraw/zinc/91/18/19/1200911819.db2.gz CGIYYQMDROUFLI-MRXNPFEDSA-N 0 3 370.457 0.568 20 30 FCEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001086603230 1201163700 /nfs/dbraw/zinc/16/37/00/1201163700.db2.gz NOLAEEPXKLKNAL-ZWKOTPCHSA-N 0 3 354.454 0.026 20 30 FCEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001086621745 1201288826 /nfs/dbraw/zinc/28/88/26/1201288826.db2.gz MAQXCAAFSGUYJX-ZWKOTPCHSA-N 0 3 367.453 0.498 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)[C@H]2CCN(C(C)=O)C2)[C@@H](n2ccnn2)C1 ZINC001129406951 1201296723 /nfs/dbraw/zinc/29/67/23/1201296723.db2.gz CQEDHTHUXFEKTH-BBWFWOEESA-N 0 3 360.462 0.454 20 30 FCEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001086623190 1201341411 /nfs/dbraw/zinc/34/14/11/1201341411.db2.gz PJKQQTQEBKOSQG-DLBZAZTESA-N 0 3 368.437 0.488 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2ncccc2C)C[C@@H]1n1ccnn1 ZINC001129723951 1201379386 /nfs/dbraw/zinc/37/93/86/1201379386.db2.gz OEYXDPXVGSBFFU-CVEARBPZSA-N 0 3 356.430 0.839 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)Cc2cc(C)n[nH]2)C[C@@H]1n1ccnn1 ZINC001129728671 1201379820 /nfs/dbraw/zinc/37/98/20/1201379820.db2.gz VKHACRSQZNPBSX-CVEARBPZSA-N 0 3 359.434 0.096 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2cc(OC)no2)C[C@@H]1n1ccnn1 ZINC001129757213 1201385535 /nfs/dbraw/zinc/38/55/35/1201385535.db2.gz ZMWBMIYRHVHGKB-OLZOCXBDSA-N 0 3 362.390 0.133 20 30 FCEDHN CCCCCCCN1C[C@@H](NC(=O)[C@H]2CCC3N=NC(=O)N3C2)[C@@H](O)C1 ZINC001219897096 1224674121 /nfs/dbraw/zinc/67/41/21/1224674121.db2.gz XDWDVUPTZPXQTO-ZNMIVQPWSA-N 0 3 365.478 0.678 20 30 FCEDHN N#Cc1cc(C(=O)N2C[C@@H](NCCOCC3CC3)[C@@H](n3ccnn3)C2)c[nH]1 ZINC001129763097 1201386432 /nfs/dbraw/zinc/38/64/32/1201386432.db2.gz VRFPJWGJEABJHF-SJORKVTESA-N 0 3 369.429 0.560 20 30 FCEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001129780358 1201395810 /nfs/dbraw/zinc/39/58/10/1201395810.db2.gz SPZNDCRHSVFCAA-JQHSSLGASA-N 0 3 357.454 0.998 20 30 FCEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC001129860092 1201407445 /nfs/dbraw/zinc/40/74/45/1201407445.db2.gz PXARERWUEXCDBZ-USXIJHARSA-N 0 3 361.442 0.540 20 30 FCEDHN C#CCCCC(=O)N1C[C@@H](NCCO[C@@H]2CC2(F)F)[C@@H](n2ccnn2)C1 ZINC001129834335 1201409633 /nfs/dbraw/zinc/40/96/33/1201409633.db2.gz VJYXJXIYSSLOKF-QLFBSQMISA-N 0 3 367.400 0.847 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)CCc2ccon2)C[C@@H]1n1ccnn1 ZINC001129932313 1201435508 /nfs/dbraw/zinc/43/55/08/1201435508.db2.gz VWUIPKHXEPTFLE-CVEARBPZSA-N 0 3 360.418 0.443 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](CC2CCC2)NC(C)=O)C[C@@H]1n1ccnn1 ZINC001129976102 1201463814 /nfs/dbraw/zinc/46/38/14/1201463814.db2.gz FVHKWDGAQCANBO-ZACQAIPSSA-N 0 3 360.462 0.501 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)[C@@H](C)c2cncnc2)C[C@@H]1n1ccnn1 ZINC001129976296 1201463852 /nfs/dbraw/zinc/46/38/52/1201463852.db2.gz KULCQHBMQZZWIS-UAGQMJEPSA-N 0 3 371.445 0.416 20 30 FCEDHN C=CCCC1(C(=O)N2C[C@@H](NCCn3cncn3)[C@@H](n3ccnn3)C2)CC1 ZINC001129998949 1201466724 /nfs/dbraw/zinc/46/67/24/1201466724.db2.gz BHPALHVKTOOUHT-CVEARBPZSA-N 0 3 370.461 0.658 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC[C@@H](C3(C)OCCO3)C2)CC1 ZINC000804891753 1201468700 /nfs/dbraw/zinc/46/87/00/1201468700.db2.gz QKAPBLFVANEMDJ-OAHLLOKOSA-N 0 3 365.474 0.755 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)Cn2ccc(C)n2)C[C@@H]1n1ccnn1 ZINC001130007598 1201476863 /nfs/dbraw/zinc/47/68/63/1201476863.db2.gz MQCYSUSYPBHGHJ-CVEARBPZSA-N 0 3 359.434 0.027 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C2(NC(N)=O)CCCCC2)C[C@@H]1n1ccnn1 ZINC001130028532 1201480083 /nfs/dbraw/zinc/48/00/83/1201480083.db2.gz VGOPALBHGMMBKY-KGLIPLIRSA-N 0 3 361.450 0.177 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NCCOCC)[C@@H](n2ccnn2)C1 ZINC001130038170 1201482753 /nfs/dbraw/zinc/48/27/53/1201482753.db2.gz PPOKCRCLZXXTTL-YVSFHVDLSA-N 0 3 363.462 0.637 20 30 FCEDHN CC[C@H](C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#CCOC)[n-]1 ZINC001130186443 1201526682 /nfs/dbraw/zinc/52/66/82/1201526682.db2.gz CZJTVOZLVAPUHU-KKUMJFAQSA-N 0 3 363.462 0.579 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnn(CC)c2)[n-]1 ZINC001130195765 1201531657 /nfs/dbraw/zinc/53/16/57/1201531657.db2.gz BJMOQWWISLDOPK-KBPBESRZSA-N 0 3 357.418 0.046 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C#N)c[nH]2)[n-]1 ZINC001130195950 1201532550 /nfs/dbraw/zinc/53/25/50/1201532550.db2.gz KKEIDBBFOPLIRS-ZFWWWQNUSA-N 0 3 367.413 0.420 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCOCC=C)[n-]1 ZINC001130196196 1201532599 /nfs/dbraw/zinc/53/25/99/1201532599.db2.gz WNPNFGDMDRXUSO-GJZGRUSLSA-N 0 3 361.446 0.499 20 30 FCEDHN C#Cc1cccc(NC(=O)CNCCNC(=O)[C@H]2CN(C)C[C@@H](C)O2)c1 ZINC001130182827 1201535070 /nfs/dbraw/zinc/53/50/70/1201535070.db2.gz XFWFTDYTJVISSU-RHSMWYFYSA-N 0 3 358.442 0.031 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(CC)ccn2)[n-]1 ZINC001130212982 1201544887 /nfs/dbraw/zinc/54/48/87/1201544887.db2.gz NNVDPTMUCQALRE-HOCLYGCPSA-N 0 3 368.441 0.787 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccncc2C)[n-]1 ZINC001130213290 1201545856 /nfs/dbraw/zinc/54/58/56/1201545856.db2.gz YIYGYYXWZOEDNV-HOTGVXAUSA-N 0 3 368.441 0.924 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)OCC(C)C)[n-]1 ZINC001130200346 1201548009 /nfs/dbraw/zinc/54/80/09/1201548009.db2.gz IVCACRVSVVUEHN-KKUMJFAQSA-N 0 3 363.462 0.577 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ncccc2CC)[n-]1 ZINC001130220849 1201551351 /nfs/dbraw/zinc/55/13/51/1201551351.db2.gz OJUBVJUPVQDTQF-GJZGRUSLSA-N 0 3 368.441 0.787 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c(C)cncc2C)[n-]1 ZINC001130223139 1201552393 /nfs/dbraw/zinc/55/23/93/1201552393.db2.gz NYFKGJHTPSYWCT-GJZGRUSLSA-N 0 3 368.441 0.842 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2conc2C)[n-]1 ZINC001130232957 1201557932 /nfs/dbraw/zinc/55/79/32/1201557932.db2.gz VZOUJXYRJOVORL-JSGCOSHPSA-N 0 3 358.402 0.517 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCn2cccc2)[n-]1 ZINC001130244484 1201564098 /nfs/dbraw/zinc/56/40/98/1201564098.db2.gz JERSCJWMUBXRDV-GJZGRUSLSA-N 0 3 356.430 0.408 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccccc2OC)[n-]1 ZINC001130246000 1201566552 /nfs/dbraw/zinc/56/65/52/1201566552.db2.gz AZBFGZCRGOUNNT-BBRMVZONSA-N 0 3 369.425 0.839 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ncoc2C2CC2)[n-]1 ZINC001130246021 1201566622 /nfs/dbraw/zinc/56/66/22/1201566622.db2.gz BFNRFTKLJGKNMQ-STQMWFEESA-N 0 3 370.413 0.695 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)c2cnn(C)c2)[n-]1 ZINC001130258165 1201571886 /nfs/dbraw/zinc/57/18/86/1201571886.db2.gz NWRVPEXODVEONT-QEJZJMRPSA-N 0 3 371.445 0.053 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COCC(F)F)CC1 ZINC001130298762 1201580115 /nfs/dbraw/zinc/58/01/15/1201580115.db2.gz FOXUGFDLXUVXPU-KDOFPFPSSA-N 0 3 371.428 0.767 20 30 FCEDHN C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)Cc2c[nH]cn2)CC1 ZINC001130301697 1201580591 /nfs/dbraw/zinc/58/05/91/1201580591.db2.gz BDDZROPYYAWMED-BJZITVGISA-N 0 3 371.485 0.697 20 30 FCEDHN CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCCNC(=O)C2CC2)C1 ZINC001130590301 1202725863 /nfs/dbraw/zinc/72/58/63/1202725863.db2.gz IYBYXWODIZLJGB-FUHWJXTLSA-N 0 3 371.485 0.490 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CNC(=O)c2ccoc2)C[C@H]1c1cn(C)cn1 ZINC001130599630 1202729161 /nfs/dbraw/zinc/72/91/61/1202729161.db2.gz XXNJILLPMHMVCN-GOEBONIOSA-N 0 3 357.414 0.513 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)n3cccn3)n[n-]2)O1 ZINC001130762358 1202779354 /nfs/dbraw/zinc/77/93/54/1202779354.db2.gz RLGROWHMILOGQL-MELADBBJSA-N 0 3 357.418 0.322 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@H](C)n3cccn3)n2)O1 ZINC001130762358 1202779356 /nfs/dbraw/zinc/77/93/56/1202779356.db2.gz RLGROWHMILOGQL-MELADBBJSA-N 0 3 357.418 0.322 20 30 FCEDHN CC=C(C)C(=O)NCc1n[n-]c([C@H]2CC[C@@H](C[NH2+]CC#CCOC)O2)n1 ZINC001130772347 1202787316 /nfs/dbraw/zinc/78/73/16/1202787316.db2.gz IMSSIVBVAOOFLM-FHWRGQPKSA-N 0 3 361.446 0.847 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3nn(C)cc3C)n[n-]2)O1 ZINC001130781022 1202792830 /nfs/dbraw/zinc/79/28/30/1202792830.db2.gz LKJYOZFDFLSVDX-UONOGXRCSA-N 0 3 371.445 0.610 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3nn(C)cc3C)n2)O1 ZINC001130781022 1202792834 /nfs/dbraw/zinc/79/28/34/1202792834.db2.gz LKJYOZFDFLSVDX-UONOGXRCSA-N 0 3 371.445 0.610 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CCO[C@H]3CC)n[n-]2)O1 ZINC001130794489 1202795469 /nfs/dbraw/zinc/79/54/69/1202795469.db2.gz VXTBPNHMRNYKTN-LJISPDSOSA-N 0 3 361.446 0.679 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@@H]3CCO[C@H]3CC)n2)O1 ZINC001130794489 1202795470 /nfs/dbraw/zinc/79/54/70/1202795470.db2.gz VXTBPNHMRNYKTN-LJISPDSOSA-N 0 3 361.446 0.679 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cn(C)nc3CC)n[n-]2)O1 ZINC001130790160 1202798396 /nfs/dbraw/zinc/79/83/96/1202798396.db2.gz KOCYVMXQZVITDL-SWLSCSKDSA-N 0 3 371.445 0.474 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cn(C)nc3CC)n2)O1 ZINC001130790160 1202798399 /nfs/dbraw/zinc/79/83/99/1202798399.db2.gz KOCYVMXQZVITDL-SWLSCSKDSA-N 0 3 371.445 0.474 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H](C)COC)n[n-]2)O1 ZINC001130813624 1202806192 /nfs/dbraw/zinc/80/61/92/1202806192.db2.gz UYWCIJINRNBVGS-QLFBSQMISA-N 0 3 363.462 0.927 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)C[C@@H](C)COC)n2)O1 ZINC001130813624 1202806194 /nfs/dbraw/zinc/80/61/94/1202806194.db2.gz UYWCIJINRNBVGS-QLFBSQMISA-N 0 3 363.462 0.927 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2cn3c(n2)CCC3)C[C@H]1c1cncn1C ZINC001130994154 1202838635 /nfs/dbraw/zinc/83/86/35/1202838635.db2.gz JRIXPQGMGOBAHX-HUUCEWRRSA-N 0 3 352.442 0.784 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2cc3n(n2)CCC3)C[C@H]1c1cncn1C ZINC001131008245 1202842479 /nfs/dbraw/zinc/84/24/79/1202842479.db2.gz YQPCEJYOUAGSMV-NVXWUHKLSA-N 0 3 352.442 0.784 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)COCc2ncc(C)o2)C[C@H]1c1cncn1C ZINC001131028689 1202848688 /nfs/dbraw/zinc/84/86/88/1202848688.db2.gz CYQUMUHCKDHHOE-HZPDHXFCSA-N 0 3 371.441 0.841 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)CCCn2ccccc2=O)C[C@H]1c1cncn1C ZINC001131044243 1202852208 /nfs/dbraw/zinc/85/22/08/1202852208.db2.gz UYWMHWLJIMBDDI-IAGOWNOFSA-N 0 3 367.453 0.579 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)C[C@H]1c1cncn1C ZINC001131051622 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OOGVBOSVDCJWPI-VXGBXAGGSA-N 0 3 368.388 0.419 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)NC(=O)C2 ZINC001226427479 1225843897 /nfs/dbraw/zinc/84/38/97/1225843897.db2.gz LDWSSFPJWMCRFC-HUUCEWRRSA-N 0 3 369.425 0.452 20 30 FCEDHN Cc1c(CCC(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)cnn1C ZINC001226505054 1225845298 /nfs/dbraw/zinc/84/52/98/1225845298.db2.gz QZQNMZBOAJSEIE-HZPDHXFCSA-N 0 3 360.462 0.318 20 30 FCEDHN COc1cc(CCC(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)on1 ZINC001226497949 1225845465 /nfs/dbraw/zinc/84/54/65/1225845465.db2.gz RBRAKSZWANFWQO-ZIAGYGMSSA-N 0 3 363.418 0.273 20 30 FCEDHN C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N[C@@H](C)C(=O)N(C)C ZINC001226522483 1225845943 /nfs/dbraw/zinc/84/59/43/1225845943.db2.gz BFDRELUPUJUTOG-ARFHVFGLSA-N 0 3 366.506 0.953 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(C2CC2)n(C)n1 ZINC001226634488 1225849680 /nfs/dbraw/zinc/84/96/80/1225849680.db2.gz GGVNTEXQYOOSOH-HUUCEWRRSA-N 0 3 357.458 0.678 20 30 FCEDHN Cn1nc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)cc1C1CC1 ZINC001226635713 1225849941 /nfs/dbraw/zinc/84/99/41/1225849941.db2.gz WKZBVXXIADIGSH-ZIAGYGMSSA-N 0 3 358.446 0.568 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1ccc(C(F)F)n1 ZINC001226680356 1225851502 /nfs/dbraw/zinc/85/15/02/1225851502.db2.gz VCWPOPWGHHNKLW-CHWSQXEVSA-N 0 3 367.400 0.587 20 30 FCEDHN Cc1cnc(CCCC(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)o1 ZINC001226704050 1225852400 /nfs/dbraw/zinc/85/24/00/1225852400.db2.gz BBUPTFPLIRZENI-HUUCEWRRSA-N 0 3 361.446 0.963 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnn2ccncc12 ZINC001226809122 1225854550 /nfs/dbraw/zinc/85/45/50/1225854550.db2.gz WDDAENNPJCLNLA-HUUCEWRRSA-N 0 3 354.414 0.109 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cncc2ncn(C)c21 ZINC001226878373 1225856320 /nfs/dbraw/zinc/85/63/20/1225856320.db2.gz QNOBKMLKVZYIAW-HUUCEWRRSA-N 0 3 370.457 0.901 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)N1C[C@@H](CNc2ncnc3[nH]cnc32)[C@H](C)C1 ZINC001054681966 1218947493 /nfs/dbraw/zinc/94/74/93/1218947493.db2.gz VOLUIGNLOJPDGI-KFWWJZLASA-N 0 3 367.457 0.909 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(C#N)cn2)CC1 ZINC001055044760 1218981807 /nfs/dbraw/zinc/98/18/07/1218981807.db2.gz RBAQWRFNKBNCSX-SQNIBIBYSA-N 0 3 364.453 0.919 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2C#N)CC1 ZINC001055044772 1218982139 /nfs/dbraw/zinc/98/21/39/1218982139.db2.gz RXBQLXMTPJSBBS-RYRKJORJSA-N 0 3 364.453 0.919 20 30 FCEDHN CN(C)C(=O)CN1CCC2(C1)CCN(C(=O)c1ccc(C#N)cn1)CC2 ZINC001277173605 1225860409 /nfs/dbraw/zinc/86/04/09/1225860409.db2.gz WQCWGOYMVDNLTK-UHFFFAOYSA-N 0 3 355.442 0.970 20 30 FCEDHN Cc1cn(C(C)(C)C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)cn1 ZINC001227019555 1225861210 /nfs/dbraw/zinc/86/12/10/1225861210.db2.gz RWILLVDLZHJKMB-HUUCEWRRSA-N 0 3 360.462 0.583 20 30 FCEDHN COc1cncc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)c1C ZINC001227048181 1225861692 /nfs/dbraw/zinc/86/16/92/1225861692.db2.gz RPLIRWUEDSBCBP-HUUCEWRRSA-N 0 3 359.430 0.669 20 30 FCEDHN C=CCN(CCc1ccco1)C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804057537 1219110232 /nfs/dbraw/zinc/11/02/32/1219110232.db2.gz ANPWEAQRPUGMBW-NVXWUHKLSA-N 0 3 361.442 0.816 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1Cc2ccccc2O1 ZINC001227380951 1225872116 /nfs/dbraw/zinc/87/21/16/1225872116.db2.gz RHYQRCRKJNMCTH-INMHGKMJSA-N 0 3 356.426 0.647 20 30 FCEDHN C#CCN1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](n2ccnn2)C1 ZINC001070102280 1219178030 /nfs/dbraw/zinc/17/80/30/1219178030.db2.gz AFAKVZYIHQLNPV-MSOLQXFVSA-N 0 3 352.442 0.628 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H](C)N2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001070111760 1219186535 /nfs/dbraw/zinc/18/65/35/1219186535.db2.gz YFFGOTKILUZMLN-BBWFWOEESA-N 0 3 362.478 0.307 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccnc2n[nH]nc21 ZINC001227436520 1225874481 /nfs/dbraw/zinc/87/44/81/1225874481.db2.gz ALNKPRIZCVBXNO-CHWSQXEVSA-N 0 3 357.418 0.286 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cccc2nccn21 ZINC001227459615 1225875280 /nfs/dbraw/zinc/87/52/80/1225875280.db2.gz RRHDHJFLSKPQNL-HUUCEWRRSA-N 0 3 353.426 0.714 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(C(F)F)nn1C ZINC001227459943 1225875618 /nfs/dbraw/zinc/87/56/18/1225875618.db2.gz WHIQMYSGOHCZGQ-VXGBXAGGSA-N 0 3 367.400 0.738 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1(COC)CC1 ZINC001227493938 1225876947 /nfs/dbraw/zinc/87/69/47/1225876947.db2.gz YDEFNFQLGIUMNB-ZIAGYGMSSA-N 0 3 366.462 0.442 20 30 FCEDHN CC(C)n1ccc(CC(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)n1 ZINC001227631491 1225879955 /nfs/dbraw/zinc/87/99/55/1225879955.db2.gz YYKXPWMXICWOGF-HZPDHXFCSA-N 0 3 360.462 0.663 20 30 FCEDHN Cc1cc(C)n(CCN[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2n2ccnn2)n1 ZINC001070192829 1219284933 /nfs/dbraw/zinc/28/49/33/1219284933.db2.gz RQYDOIZAYXUJOR-MSOLQXFVSA-N 0 3 367.457 0.547 20 30 FCEDHN O=C(C#CC1CC1)N1C[C@@H](NC[C@@H](O)c2ccccc2)[C@@H](n2ccnn2)C1 ZINC001070192773 1219285107 /nfs/dbraw/zinc/28/51/07/1219285107.db2.gz OMKHYMAJDJZUFS-CEXWTWQISA-N 0 3 365.437 0.767 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C[C@H](C)N2CCCCC2=O)C[C@@H]1n1ccnn1 ZINC001070193809 1219285992 /nfs/dbraw/zinc/28/59/92/1219285992.db2.gz RMPGJPVTRSBWDK-XHSDSOJGSA-N 0 3 360.462 0.597 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2sccc2-n2ccnn2)C[C@@H]1n1ccnn1 ZINC001070214503 1219297765 /nfs/dbraw/zinc/29/77/65/1219297765.db2.gz VYNXAVLYVZVPJZ-OCCSQVGLSA-N 0 3 370.442 0.762 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc(-c3cn[nH]c3)cn2)C[C@@H]1n1ccnn1 ZINC001070220929 1219303690 /nfs/dbraw/zinc/30/36/90/1219303690.db2.gz TXXWNMFDOVRBKE-SJORKVTESA-N 0 3 364.413 0.905 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CCc2nc(C(C)C)no2)C[C@@H]1n1ccnn1 ZINC001070245386 1219315513 /nfs/dbraw/zinc/31/55/13/1219315513.db2.gz XNWODDINXFDUQI-KGLIPLIRSA-N 0 3 359.434 0.945 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cn(CCC(C)C)nn2)C[C@@H]1n1ccnn1 ZINC001070273674 1219342036 /nfs/dbraw/zinc/34/20/36/1219342036.db2.gz BBIDVIFNHMAQBU-ZBFHGGJFSA-N 0 3 358.450 0.757 20 30 FCEDHN C=CC[NH2+][C@@H]1CN(C(=O)Cc2c(C)nc(C)[n-]c2=O)C[C@@H]1n1ccnn1 ZINC001070325296 1219375748 /nfs/dbraw/zinc/37/57/48/1219375748.db2.gz AQIAAPGVJPPORK-CABCVRRESA-N 0 3 357.418 0.161 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C(C)C)C[C@@H]1n1ccnn1 ZINC001070328921 1219379946 /nfs/dbraw/zinc/37/99/46/1219379946.db2.gz BXTLQGKGFICKBH-PMPSAXMXSA-N 0 3 360.462 0.453 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cn2cccn2)CC1 ZINC001070365661 1219397943 /nfs/dbraw/zinc/39/79/43/1219397943.db2.gz WCLVDEVWMIYOAT-APWZRJJASA-N 0 3 357.458 0.382 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cncnc2C)CC1 ZINC001070365559 1219398142 /nfs/dbraw/zinc/39/81/42/1219398142.db2.gz SYWKAHXPELKQFR-MJGOQNOKSA-N 0 3 369.469 0.897 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cc(=O)n(C)o2)CC1 ZINC001070369622 1219399976 /nfs/dbraw/zinc/39/99/76/1219399976.db2.gz HPZCZYIHVJAXLA-DYVFJYSZSA-N 0 3 362.430 0.253 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](OC)c2cnn(C)c2)C[C@H]1c1cn(C)cn1 ZINC001070516241 1219448889 /nfs/dbraw/zinc/44/88/89/1219448889.db2.gz AUTVOTDCIHNUSA-UAGQMJEPSA-N 0 3 358.446 0.611 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2CCc3nncn3CC2)C[C@H]1c1cn(C)cn1 ZINC001070515837 1219449067 /nfs/dbraw/zinc/44/90/67/1219449067.db2.gz VBBKFZIAIVBSFO-YQQAZPJKSA-N 0 3 369.473 0.734 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCc3cnc(C)n3C2)C[C@H]1c1cn(C)cn1 ZINC001070525925 1219453364 /nfs/dbraw/zinc/45/33/64/1219453364.db2.gz HNFMZWRKMJOKTC-HHXXYDBFSA-N 0 3 366.469 0.705 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CN(C(C)C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070526030 1219453747 /nfs/dbraw/zinc/45/37/47/1219453747.db2.gz MQHLPGBCKOHJAG-JQHSSLGASA-N 0 3 359.474 0.047 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C[C@H]2CCCCC(=O)N2)C[C@H]1c1cn(C)cn1 ZINC001070558878 1219469090 /nfs/dbraw/zinc/46/90/90/1219469090.db2.gz WOKLDTNJVQSXRM-HLLBOEOZSA-N 0 3 359.474 0.939 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1(c2cccnc2)CC1 ZINC001228144892 1225897642 /nfs/dbraw/zinc/89/76/42/1225897642.db2.gz RPXFISUQCYYWKX-IAGOWNOFSA-N 0 3 354.454 0.880 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2CCc3nncn3C2)C[C@H]1c1cn(C)cn1 ZINC001070566464 1219472606 /nfs/dbraw/zinc/47/26/06/1219472606.db2.gz QCHCYJXHGLMUCM-IJEWVQPXSA-N 0 3 355.446 0.344 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc(C(N)=O)nc2)C[C@H]1c1cn(C)cn1 ZINC001070570345 1219473941 /nfs/dbraw/zinc/47/39/41/1219473941.db2.gz KFSPFGSOLPMHRC-XJKSGUPXSA-N 0 3 354.414 0.298 20 30 FCEDHN C=CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)n1 ZINC001070586549 1219478410 /nfs/dbraw/zinc/47/84/10/1219478410.db2.gz KGSMTGZMQCXCSW-YRGRVCCFSA-N 0 3 357.418 0.507 20 30 FCEDHN C#CCCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n1 ZINC001070587838 1219479953 /nfs/dbraw/zinc/47/99/53/1219479953.db2.gz HJKAWBDKQGGVJN-FAYXSQRVSA-N 0 3 371.441 0.241 20 30 FCEDHN C#CCCN1CCOC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n[nH]1 ZINC001070587838 1219479954 /nfs/dbraw/zinc/47/99/54/1219479954.db2.gz HJKAWBDKQGGVJN-FAYXSQRVSA-N 0 3 371.441 0.241 20 30 FCEDHN C#CCCN1CCOC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[nH]1 ZINC001070587838 1219479958 /nfs/dbraw/zinc/47/99/58/1219479958.db2.gz HJKAWBDKQGGVJN-FAYXSQRVSA-N 0 3 371.441 0.241 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccn(C[C@@H]2C[C@H](OC)CN2CCO)n1 ZINC001070599297 1219481485 /nfs/dbraw/zinc/48/14/85/1219481485.db2.gz SBMNZBXBRKPXJU-JONQDZQNSA-N 0 3 364.446 0.494 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccn(C[C@@H]2C[C@@H](OC)CN2CCO)n1 ZINC001070605620 1219482410 /nfs/dbraw/zinc/48/24/10/1219482410.db2.gz SBMNZBXBRKPXJU-JJXSEGSLSA-N 0 3 364.446 0.494 20 30 FCEDHN Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH]ncc32)C[C@H]1NCC#N ZINC001070647783 1219506677 /nfs/dbraw/zinc/50/66/77/1219506677.db2.gz CTKPEELIIJSQQD-XNRPHZJLSA-N 0 3 353.430 0.671 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2ncc(OC)cc2F)C[C@H]1c1cncn1C ZINC001070655397 1219510161 /nfs/dbraw/zinc/51/01/61/1219510161.db2.gz KOEJHOYSWKHBHX-UKRRQHHQSA-N 0 3 357.389 0.794 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cncc(COC)c2)C[C@H]1c1cncn1C ZINC001070656351 1219510410 /nfs/dbraw/zinc/51/04/10/1219510410.db2.gz APARTABRDKBWFT-IAGOWNOFSA-N 0 3 353.426 0.793 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2ccn(CC(F)F)n2)C[C@H]1c1cncn1C ZINC001070657899 1219511155 /nfs/dbraw/zinc/51/11/55/1219511155.db2.gz RBTRZZZGLKORBH-TZMCWYRMSA-N 0 3 362.384 0.713 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cnc3[nH]c(=O)[nH]c3c2)C[C@H]1c1cncn1C ZINC001070661704 1219513056 /nfs/dbraw/zinc/51/30/56/1219513056.db2.gz BIVHDWYVWDLSRY-TZMCWYRMSA-N 0 3 365.397 0.228 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@H]2CCCn3nccc32)C[C@H]1c1cncn1C ZINC001070662555 1219513601 /nfs/dbraw/zinc/51/36/01/1219513601.db2.gz XZNOTDXYURGZCD-ARFHVFGLSA-N 0 3 352.442 0.711 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cc(OC)nc(OC)c2)C[C@H]1c1cncn1C ZINC001070664359 1219514754 /nfs/dbraw/zinc/51/47/54/1219514754.db2.gz LSANUPWTSUDIMN-HUUCEWRRSA-N 0 3 369.425 0.663 20 30 FCEDHN 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364.446 0.146 20 30 FCEDHN COCC#CCN1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001209769649 1223648929 /nfs/dbraw/zinc/64/89/29/1223648929.db2.gz RBFRSTMYKIBDIT-CRAIPNDOSA-N 0 3 353.426 0.967 20 30 FCEDHN N#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1 ZINC001210061085 1223664266 /nfs/dbraw/zinc/66/42/66/1223664266.db2.gz NWPYRFWGUAQBOE-SCTDSRPQSA-N 0 3 370.453 0.985 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](NCC(=O)NCCCOC)C1 ZINC001210071628 1223664730 /nfs/dbraw/zinc/66/47/30/1223664730.db2.gz WESGPPNFQDQMSV-BQFCYCMXSA-N 0 3 367.490 0.701 20 30 FCEDHN C#CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2OCC[C@@H]2c2ccccc2)C1 ZINC001210070116 1223664807 /nfs/dbraw/zinc/66/48/07/1223664807.db2.gz KQQDEWVIPQRONP-NLWGTHIKSA-N 0 3 369.465 0.889 20 30 FCEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@@H](O)COCCOC)C[C@H]2C)cn1 ZINC001210416728 1223690388 /nfs/dbraw/zinc/69/03/88/1223690388.db2.gz STJRYGKCWPSZMY-ZTFGCOKTSA-N 0 3 361.442 0.137 20 30 FCEDHN C#CCN1C[C@H](C(=O)OCC)C2(CCN(C[C@@H]3COCCO3)CC2)C1=O ZINC001276685764 1223694572 /nfs/dbraw/zinc/69/45/72/1223694572.db2.gz URUFVWVSRRCNNK-HZPDHXFCSA-N 0 3 364.442 0.139 20 30 FCEDHN C#CCN1C[C@@H](C(=O)OCC)C2(CCN(C[C@@H]3COCCO3)CC2)C1=O ZINC001276685762 1223695036 /nfs/dbraw/zinc/69/50/36/1223695036.db2.gz URUFVWVSRRCNNK-CVEARBPZSA-N 0 3 364.442 0.139 20 30 FCEDHN CC(C)[C@@H](C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C)N1CCCCC1 ZINC001211367166 1223738190 /nfs/dbraw/zinc/73/81/90/1223738190.db2.gz ORQHTSUEVDXQLB-NUJGCVRESA-N 0 3 363.506 0.573 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)C(C)(C)c2cnc[nH]2)[C@H](OC)C1 ZINC001213719195 1223839175 /nfs/dbraw/zinc/83/91/75/1223839175.db2.gz RGRSAZVKBQGBJA-MGPQQGTHSA-N 0 3 363.462 0.193 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(CCOCC(C)C)C[C@H]2OC)CC1 ZINC001213914847 1223871270 /nfs/dbraw/zinc/87/12/70/1223871270.db2.gz ZVTPDAAYULJWFV-RTBURBONSA-N 0 3 365.518 0.820 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(CCOCC3CC3)C[C@H]2OC)CC1 ZINC001213920434 1223872840 /nfs/dbraw/zinc/87/28/40/1223872840.db2.gz ZBMRWGRMXWXFCG-RTBURBONSA-N 0 3 363.502 0.574 20 30 FCEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H]1CN(C(=O)CNC(=O)OC)C[C@H]1C ZINC001214222940 1223897152 /nfs/dbraw/zinc/89/71/52/1223897152.db2.gz UNNRANAALVCTNH-RBSFLKMASA-N 0 3 368.478 0.592 20 30 FCEDHN C[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H]1NCC(=O)NCC#Cc1ccccc1 ZINC001214262668 1223898786 /nfs/dbraw/zinc/89/87/86/1223898786.db2.gz CWJOEPQVNBUEOW-BHIYHBOVSA-N 0 3 369.465 0.627 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCCCOC)C[C@H]1C ZINC001214297613 1223900204 /nfs/dbraw/zinc/90/02/04/1223900204.db2.gz YTCXPNURDKBMKA-RBSFLKMASA-N 0 3 368.478 0.640 20 30 FCEDHN C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NC2CCCCC2)C1 ZINC001214338514 1223902041 /nfs/dbraw/zinc/90/20/41/1223902041.db2.gz RSDXKDKIOBYQFY-UMVBOHGHSA-N 0 3 363.462 0.741 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)c2cn(C)nc2C)C[C@H]1C ZINC001214347242 1223902720 /nfs/dbraw/zinc/90/27/20/1223902720.db2.gz RDGNNCITADUUNX-CZUORRHYSA-N 0 3 360.462 0.541 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)c2cnn(CC)c2)C[C@H]1C ZINC001214352248 1223903463 /nfs/dbraw/zinc/90/34/63/1223903463.db2.gz WJRCFSIVBGXRLS-GDBMZVCRSA-N 0 3 360.462 0.715 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CCCOCC=C)C[C@H]1C ZINC001214402811 1223907719 /nfs/dbraw/zinc/90/77/19/1223907719.db2.gz HAJVBHQAIVWHNR-HUUCEWRRSA-N 0 3 366.462 0.418 20 30 FCEDHN C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](NCc2cccc3c2OCCO3)C1 ZINC001214473279 1223912273 /nfs/dbraw/zinc/91/22/73/1223912273.db2.gz CNHMGCHBQSFSIK-GDBMZVCRSA-N 0 3 371.437 0.534 20 30 FCEDHN C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1NCC#Cc1ccc(F)cc1 ZINC001214475300 1223912968 /nfs/dbraw/zinc/91/29/68/1223912968.db2.gz ABFRDGNRSHKRTC-CZUORRHYSA-N 0 3 357.389 0.611 20 30 FCEDHN COc1ccc(C#N)cc1CN[C@@H]1CN(C(=O)[C@H](C)NC(N)=O)C[C@H]1C ZINC001214508622 1223916788 /nfs/dbraw/zinc/91/67/88/1223916788.db2.gz USWZNTACUDUTTR-TYNCELHUSA-N 0 3 359.430 0.560 20 30 FCEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1C ZINC001214516589 1223918129 /nfs/dbraw/zinc/91/81/29/1223918129.db2.gz SQUKOYCAKCCDBO-NVXWUHKLSA-N 0 3 359.474 0.880 20 30 FCEDHN C#CCCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)CC(=O)NCCC)C1 ZINC001214527497 1223918480 /nfs/dbraw/zinc/91/84/80/1223918480.db2.gz XUCUEUJJQAIGHE-HZPDHXFCSA-N 0 3 364.490 0.211 20 30 FCEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)c2cnn(CC)n2)C[C@H]1C ZINC001214557476 1223921382 /nfs/dbraw/zinc/92/13/82/1223921382.db2.gz CGLOAXUXZGICJH-GDBMZVCRSA-N 0 3 362.478 0.773 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1C ZINC001214573633 1223923008 /nfs/dbraw/zinc/92/30/08/1223923008.db2.gz HDFIVKUDYSJJLH-HZSPNIEDSA-N 0 3 366.462 0.128 20 30 FCEDHN C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1NCc1cc(=O)n(C)c(=O)n1C ZINC001214585475 1223923925 /nfs/dbraw/zinc/92/39/25/1223923925.db2.gz LRDNDNUHDXIKAR-UKRRQHHQSA-N 0 3 360.458 0.070 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnc(N(C)C)cn2)C[C@H]1C ZINC001214630448 1223927669 /nfs/dbraw/zinc/92/76/69/1223927669.db2.gz XPGPTFGYAKHRLV-VNHYZAJKSA-N 0 3 360.462 0.283 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ccn3c(C)cnc3c2)C[C@H]1C ZINC001214630473 1223927749 /nfs/dbraw/zinc/92/77/49/1223927749.db2.gz YPESUXPXLZMYBD-CZUORRHYSA-N 0 3 355.442 0.995 20 30 FCEDHN CCO[C@@H](CC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1)C1=CCCC1 ZINC001214632939 1223928090 /nfs/dbraw/zinc/92/80/90/1223928090.db2.gz WEWAISXDZMHXAF-OIISXLGYSA-N 0 3 362.474 0.968 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H](OCC)C2CC2)C[C@H]1C ZINC001214645454 1223929072 /nfs/dbraw/zinc/92/90/72/1223929072.db2.gz ADKKQWZSBWLXAE-XPKDYRNWSA-N 0 3 366.462 0.250 20 30 FCEDHN C[C@@H]1CN(C(=O)c2c(C3CCC3)cnn2C)C[C@H]1NCC(=O)NCC#N ZINC001214670125 1223930559 /nfs/dbraw/zinc/93/05/59/1223930559.db2.gz KDTBUBQCUTVBAG-IUODEOHRSA-N 0 3 358.446 0.377 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc3cccnc3n2)C[C@H]1C ZINC001214673571 1223931502 /nfs/dbraw/zinc/93/15/02/1223931502.db2.gz FSYXMFDABUPIEZ-CZUORRHYSA-N 0 3 351.410 0.429 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(C(F)(F)F)n(C)n2)C[C@H]1C ZINC001214713534 1223935633 /nfs/dbraw/zinc/93/56/33/1223935633.db2.gz MIZWVQDYLXJPJN-ZYHUDNBSSA-N 0 3 371.363 0.238 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2COc3ccccc3O2)C[C@H]1C ZINC001214725447 1223936177 /nfs/dbraw/zinc/93/61/77/1223936177.db2.gz ITDXKYKEAKFLIG-BZUAXINKSA-N 0 3 371.437 0.402 20 30 FCEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)CC(=O)NCCC)C1 ZINC001214746179 1223937943 /nfs/dbraw/zinc/93/79/43/1223937943.db2.gz XVOOTKITDWUCOC-HZPDHXFCSA-N 0 3 366.506 0.764 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C[C@H]1C ZINC001214757377 1223939237 /nfs/dbraw/zinc/93/92/37/1223939237.db2.gz KUOZJCJTKQCDBP-QLFBSQMISA-N 0 3 364.490 0.372 20 30 FCEDHN C=CCN1CC[C@H](N[C@@H]2CN(C(=O)CN(C)C(=O)C3CC3)C[C@H]2C)C1=O ZINC001214768229 1223940304 /nfs/dbraw/zinc/94/03/04/1223940304.db2.gz JCPGANOEHLJXNZ-VNQPRFMTSA-N 0 3 362.474 0.078 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCCNC(=O)C2CC2)C[C@H]1C ZINC001214768506 1223940593 /nfs/dbraw/zinc/94/05/93/1223940593.db2.gz WARFYONMGWEFLU-IIAWOOMASA-N 0 3 364.490 0.420 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cn2ccc(C(F)F)n2)C[C@H]1C ZINC001214817779 1223945470 /nfs/dbraw/zinc/94/54/70/1223945470.db2.gz NONWRTXZYPWTJY-YRGRVCCFSA-N 0 3 367.400 0.395 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cnn(-c3cccnc3)c2)C[C@H]1C ZINC001214845120 1223947592 /nfs/dbraw/zinc/94/75/92/1223947592.db2.gz FNFFQEUDZJAFHY-RHSMWYFYSA-N 0 3 368.441 0.620 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnn3ccncc23)C[C@H]1C ZINC001214864721 1223949113 /nfs/dbraw/zinc/94/91/13/1223949113.db2.gz FQWIARREPMPWSF-UMVBOHGHSA-N 0 3 356.430 0.470 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cnc3ccccc3n2)C[C@H]1C ZINC001214859260 1223949202 /nfs/dbraw/zinc/94/92/02/1223949202.db2.gz WBKDKTDAGOQVMR-CXAGYDPISA-N 0 3 353.426 0.982 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnn3ncccc23)C[C@H]1C ZINC001214867286 1223949751 /nfs/dbraw/zinc/94/97/51/1223949751.db2.gz KXWATQFVETUSSY-VNHYZAJKSA-N 0 3 356.430 0.470 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2nccc3cccnc32)C[C@H]1C ZINC001214875429 1223950384 /nfs/dbraw/zinc/95/03/84/1223950384.db2.gz TZEVDQAJERILAJ-IJEWVQPXSA-N 0 3 365.437 0.818 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cccc3[nH]c(=O)[nH]c32)C[C@H]1C ZINC001214875078 1223950852 /nfs/dbraw/zinc/95/08/52/1223950852.db2.gz LLZHTSJJVOFSAX-LALPHHSUSA-N 0 3 369.425 0.457 20 30 FCEDHN C[C@@H]1CN(C(=O)[C@H]2CCN(C)c3ccccc32)C[C@H]1NCC(=O)NCC#N ZINC001214882992 1223951486 /nfs/dbraw/zinc/95/14/86/1223951486.db2.gz ZXQYRDHIZIGLJQ-HYVNUMGLSA-N 0 3 369.469 0.686 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N(CC)C2CC2)C1 ZINC001214880727 1223951900 /nfs/dbraw/zinc/95/19/00/1223951900.db2.gz RLNSMTGXZOMZAY-NXHRZFHOSA-N 0 3 360.502 0.531 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cncc3ncn(C)c32)C[C@H]1C ZINC001214887343 1223952270 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C#CCNC(=O)CN[C@@H]1C[C@@]2(CN(C(=O)C3(C)CC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105627000 1258918301 /nfs/dbraw/zinc/91/83/01/1258918301.db2.gz KNCWDRVGVJNDAV-YVTWGWGSSA-N 0 3 361.486 0.502 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1C[C@]2(CN(C(=O)C3(C)CC3)[C@H]2C(C)C)C[C@H]1O ZINC001105626998 1258918673 /nfs/dbraw/zinc/91/86/73/1258918673.db2.gz KNCWDRVGVJNDAV-RNKNFESXSA-N 0 3 361.486 0.502 20 30 FCEDHN C#CCOCCC(=O)NC[C@]12CCC[C@H]1N(CCNC(=O)C1CC1)CC2 ZINC001107401465 1259075040 /nfs/dbraw/zinc/07/50/40/1259075040.db2.gz PLGAGQYCJONWRM-YLJYHZDGSA-N 0 3 361.486 0.913 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@]12CCC[C@H]1N(CCNC(=O)C1CC1)CC2 ZINC001107401901 1259075437 /nfs/dbraw/zinc/07/54/37/1259075437.db2.gz FJCBVSHEQWIOHM-XAUMDUMWSA-N 0 3 361.486 0.912 20 30 FCEDHN C[C@@H]1CCN(CC(=O)NC[C@]23CCC[C@H]2N(CC(=O)NCC#N)CC3)C1 ZINC001107546508 1259112688 /nfs/dbraw/zinc/11/26/88/1259112688.db2.gz FSRCZODCYYGKKM-GPMSIDNRSA-N 0 3 361.490 0.329 20 30 FCEDHN C#CCNC(=O)CN1CC[C@@]2(CNC(=O)Cn3ccnc3C)CCC[C@@H]12 ZINC001107634288 1259140732 /nfs/dbraw/zinc/14/07/32/1259140732.db2.gz TWTPAAIOKCNROX-VQIMIIECSA-N 0 3 357.458 0.302 20 30 FCEDHN COCC#CCN1CC[C@@]2(CNC(=O)[C@@H]3CCC(=O)N(C)C3)CCC[C@@H]12 ZINC001107644662 1259141585 /nfs/dbraw/zinc/14/15/85/1259141585.db2.gz DQQGORWFJBCNSQ-MBOZVWFJSA-N 0 3 361.486 0.865 20 30 FCEDHN COCC#CCN1CC[C@@]2(CNC(=O)c3cccc(C(N)=O)n3)CCC[C@@H]12 ZINC001107647537 1259142769 /nfs/dbraw/zinc/14/27/69/1259142769.db2.gz OXQLXXVWCVALFR-YLJYHZDGSA-N 0 3 370.453 0.805 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NCCNCC(=O)N1CCOC[C@H]1C1CC1 ZINC001127604826 1259182717 /nfs/dbraw/zinc/18/27/17/1259182717.db2.gz OLILWKPJZFMPMP-IKGGRYGDSA-N 0 3 365.474 0.311 20 30 FCEDHN C#CCNCc1cccc(N2CC[C@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)n1 ZINC001128111829 1259193246 /nfs/dbraw/zinc/19/32/46/1259193246.db2.gz FQIRCGRPCLPYHU-BPQIPLTHSA-N 0 3 371.485 0.218 20 30 FCEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@H]2COCCO2)[C@@H](n2ccnn2)C1 ZINC001128715398 1259220105 /nfs/dbraw/zinc/22/01/05/1259220105.db2.gz BWMCQOONLSWUHP-IXDOHACOSA-N 0 3 363.462 0.781 20 30 FCEDHN C=CCOCC(=O)N[C@@H]1CN(CCC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001128811928 1259237601 /nfs/dbraw/zinc/23/76/01/1259237601.db2.gz JBFRNSUDRPXWGJ-SJORKVTESA-N 0 3 363.462 0.639 20 30 FCEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2nccnc2N)[C@@H](n2ccnn2)C1 ZINC001128851251 1259247552 /nfs/dbraw/zinc/24/75/52/1259247552.db2.gz FGQCZKGCEVXRLQ-MJBXVCDLSA-N 0 3 356.434 0.660 20 30 FCEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001128948786 1259271934 /nfs/dbraw/zinc/27/19/34/1259271934.db2.gz CFYFPHJNIUFUSN-ILXRZTDVSA-N 0 3 362.434 0.474 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)CN(C)C(=O)C2CC2)[C@@H](n2ccnn2)C1 ZINC001129031717 1259294535 /nfs/dbraw/zinc/29/45/35/1259294535.db2.gz APARXNVAUKAIBL-CVEARBPZSA-N 0 3 360.462 0.454 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)Cn2cc(C3CC3)nn2)[C@@H](n2ccnn2)C1 ZINC001129042924 1259295475 /nfs/dbraw/zinc/29/54/75/1259295475.db2.gz CWSKDSXKMBBGGB-SJORKVTESA-N 0 3 370.461 0.755 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)COc2cc(C)on2)[C@@H](n2ccnn2)C1 ZINC001129055094 1259300370 /nfs/dbraw/zinc/30/03/70/1259300370.db2.gz ULVRJKFRFIENOC-CABCVRRESA-N 0 3 360.418 0.961 20 30 FCEDHN CCCCCCCN1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](n2ccnn2)C1 ZINC001129224139 1259347406 /nfs/dbraw/zinc/34/74/06/1259347406.db2.gz WAEOMQMJOJLDQR-CABCVRRESA-N 0 3 362.478 0.856 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)CNC(=O)c2cccnc2)[C@@H](n2ccnn2)C1 ZINC001129280125 1259362888 /nfs/dbraw/zinc/36/28/88/1259362888.db2.gz NQWCVKHDPFZNOF-CVEARBPZSA-N 0 3 369.429 0.021 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)COC[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001129292919 1259367699 /nfs/dbraw/zinc/36/76/99/1259367699.db2.gz BRZCRBCLLUUUSZ-ZACQAIPSSA-N 0 3 363.462 0.639 20 30 FCEDHN C=CCO[C@H](C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#CC)[n-]1 ZINC001130251118 1259375468 /nfs/dbraw/zinc/37/54/68/1259375468.db2.gz CDHOKMQPLQKFTB-ILXRZTDVSA-N 0 3 361.446 0.497 20 30 FCEDHN N#CCNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccncc2)CCCO1 ZINC001200538130 1259416385 /nfs/dbraw/zinc/41/63/85/1259416385.db2.gz YBDVGJQDPJJAGQ-YESZJQIVSA-N 0 3 371.441 0.032 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccnc3c2ncn3C)C[C@H]1C ZINC001215518456 1259534810 /nfs/dbraw/zinc/53/48/10/1259534810.db2.gz BFCKYLOUYGKHMU-VNHYZAJKSA-N 0 3 368.441 0.156 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccc3c(c2)CCN3C)C[C@H]1C ZINC001216229741 1259537280 /nfs/dbraw/zinc/53/72/80/1259537280.db2.gz NWJWFBIZDDKSOL-RVKKMQEKSA-N 0 3 368.481 0.867 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc2ccccc2nn1 ZINC001227863870 1259540971 /nfs/dbraw/zinc/54/09/71/1259540971.db2.gz DJUARSJZBIHEIJ-HZPDHXFCSA-N 0 3 366.425 0.900 20 30 FCEDHN C=CCN(C(=O)C(=O)N1CCC(N2CCN(C)CC2)CC1)[C@H](C)COC ZINC001335637106 1259755678 /nfs/dbraw/zinc/75/56/78/1259755678.db2.gz RUJAQJGBPAMALN-MRXNPFEDSA-N 0 3 366.506 0.274 20 30 FCEDHN C#CCOC[C@H](O)CN1C[C@@H](NC(=O)c2ccncc2)[C@H]2OCCC[C@H]2C1 ZINC001251843646 1259765779 /nfs/dbraw/zinc/76/57/79/1259765779.db2.gz LJMSYJMSAHZMSS-MANSERQUSA-N 0 3 373.453 0.302 20 30 FCEDHN COC(=O)[C@@H](O)CN1CCC[C@]2(C1)COCCN(c1cccc(C#N)n1)C2 ZINC001252415093 1259783749 /nfs/dbraw/zinc/78/37/49/1259783749.db2.gz OJTWTXHIZSQTOB-QFBILLFUSA-N 0 3 374.441 0.406 20 30 FCEDHN C=CCOC[C@H](O)CN1CC[C@@]2(C1)COCc1c(C)nc(N(C)C)nc12 ZINC001252462126 1259790146 /nfs/dbraw/zinc/79/01/46/1259790146.db2.gz CRYIEIOWRKMDTQ-DNVCBOLYSA-N 0 3 362.474 0.888 20 30 FCEDHN N#Cc1ncn(CC(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)n1 ZINC001253201222 1259828733 /nfs/dbraw/zinc/82/87/33/1259828733.db2.gz TXRHRAQSHIBUHB-UHFFFAOYSA-N 0 3 367.413 0.486 20 30 FCEDHN C#CCOCCOCCN[C@@H]1C[C@H](C(=O)OC)N(C(=O)OC(C)(C)C)C1 ZINC001256257685 1259940810 /nfs/dbraw/zinc/94/08/10/1259940810.db2.gz BQJPSJURMGLPOB-HUUCEWRRSA-N 0 3 370.446 0.793 20 30 FCEDHN Cc1cc(NC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)ncc1C#N ZINC001261623987 1260170229 /nfs/dbraw/zinc/17/02/29/1260170229.db2.gz KXZUARLTAPCWPW-HNNXBMFYSA-N 0 3 357.414 0.570 20 30 FCEDHN C=CCn1c(Cc2nnc[nH]2)nnc1N1CCC(N2CCN(C)CC2)CC1 ZINC001262960823 1260335511 /nfs/dbraw/zinc/33/55/11/1260335511.db2.gz NVSJYSBJHTZWPD-UHFFFAOYSA-N 0 3 371.493 0.389 20 30 FCEDHN C=CCOC[C@@H](O)CN1CCC[C@@]12CCN(Cc1cc(C)nn1C)C2=O ZINC001277779334 1260669649 /nfs/dbraw/zinc/66/96/49/1260669649.db2.gz ZOOJYPCNZPPZHI-HKUYNNGSSA-N 0 3 362.474 0.859 20 30 FCEDHN CC1(C)OC[C@H](CN2CC[C@H]3CN(C(=O)C4(C#N)CCOCC4)C[C@H]32)O1 ZINC001279469017 1260875760 /nfs/dbraw/zinc/87/57/60/1260875760.db2.gz GEAYLBXYQYZZLU-HRCADAONSA-N 0 3 363.458 0.991 20 30 FCEDHN COCCn1c([C@H]2C[C@H]2C#N)nnc1N1CCN(C2CCOCC2)CC1 ZINC001345323284 1261672713 /nfs/dbraw/zinc/67/27/13/1261672713.db2.gz AAYLZAZYTSMIAH-HOCLYGCPSA-N 0 3 360.462 0.853 20 30 FCEDHN C[C@@H]1CN2CCN1C[C@H]2C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001345550182 1261736960 /nfs/dbraw/zinc/73/69/60/1261736960.db2.gz ZBXBTTDWPKUPDQ-XLIONFOSSA-N 0 3 367.497 0.981 20 30 FCEDHN NC[C@H](O)C(=O)N1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001580325930 1278126285 /nfs/dbraw/zinc/12/62/85/1278126285.db2.gz STVLTPVDIBSHTI-JKUQZMGJSA-N 0 3 356.213 0.935 20 30 FCEDHN N#Cc1ccc(NCC(=O)N2CCN(C(=O)CN3CCCC3)CC2)nc1 ZINC001292812151 1262702385 /nfs/dbraw/zinc/70/23/85/1262702385.db2.gz WZLCJTCDTLQPTH-UHFFFAOYSA-N 0 3 356.430 0.132 20 30 FCEDHN Cn1cc(CNC(=O)NC[C@]2(O)CCN(C)C2)c(-c2ccc(C#N)cc2)n1 ZINC001312482484 1263279687 /nfs/dbraw/zinc/27/96/87/1263279687.db2.gz VXPFUPDELSFJGR-LJQANCHMSA-N 0 3 368.441 0.825 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NCCn2c(=O)oc3ccccc32)CC1 ZINC001322607411 1264228510 /nfs/dbraw/zinc/22/85/10/1264228510.db2.gz OGCYUFUTWCYWLV-UHFFFAOYSA-N 0 3 372.425 0.477 20 30 FCEDHN COCCN(C)CCn1c(N2CCO[C@@H](C#N)C2)nnc1C(C)(C)C ZINC001504861866 1264250259 /nfs/dbraw/zinc/25/02/59/1264250259.db2.gz RUWFJKRQYHJDMU-AWEZNQCLSA-N 0 3 350.467 0.883 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NCc2cccc(OCC#N)c2)CC1 ZINC001323462562 1264434782 /nfs/dbraw/zinc/43/47/82/1264434782.db2.gz PDVSPMPGJXIIAV-UHFFFAOYSA-N 0 3 356.426 0.972 20 30 FCEDHN C=C[C@@H](COC)NC(=O)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC001323821144 1264523055 /nfs/dbraw/zinc/52/30/55/1264523055.db2.gz CXFFQJKNFRXYNS-INIZCTEOSA-N 0 3 374.485 0.864 20 30 FCEDHN N#Cc1ccc(OC2CN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)C2)cc1 ZINC001325147158 1264787856 /nfs/dbraw/zinc/78/78/56/1264787856.db2.gz UAPMJNJCFAMVCW-INIZCTEOSA-N 0 3 368.437 0.845 20 30 FCEDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)C1 ZINC001325213366 1264813244 /nfs/dbraw/zinc/81/32/44/1264813244.db2.gz CNMIZHHMVKPSJY-IAGOWNOFSA-N 0 3 356.426 0.470 20 30 FCEDHN C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001580405765 1278236852 /nfs/dbraw/zinc/23/68/52/1278236852.db2.gz GVNSFNGOEVRDNK-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC(CC#N)CC2)CC1 ZINC001325696271 1264970436 /nfs/dbraw/zinc/97/04/36/1264970436.db2.gz OPPNULWEXYSWNM-INIZCTEOSA-N 0 3 363.506 0.528 20 30 FCEDHN CCN(C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)C1CC[NH2+]CC1 ZINC001524197094 1266693310 /nfs/dbraw/zinc/69/33/10/1266693310.db2.gz HMHBUJKISPSROK-UHFFFAOYSA-N 0 3 350.444 0.326 20 30 FCEDHN C=CCCN(C)C(=O)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001334998657 1267270910 /nfs/dbraw/zinc/27/09/10/1267270910.db2.gz ZXVYFUUSIXAXJU-UHFFFAOYSA-N 0 3 350.463 0.353 20 30 FCEDHN C=CCn1c(C2CC(O)C2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001338858362 1268108407 /nfs/dbraw/zinc/10/84/07/1268108407.db2.gz ZPQRSLFYNUCJGE-UYSNPLJNSA-N 0 3 374.489 0.445 20 30 FCEDHN C=CCn1c(C[C@@H](C)O)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001338952820 1268129472 /nfs/dbraw/zinc/12/94/72/1268129472.db2.gz MGOKZZRIGQFYOJ-OAHLLOKOSA-N 0 3 364.494 0.378 20 30 FCEDHN C=CCn1c(-c2cc(=O)[nH]c(=O)[nH]2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001338963807 1268131124 /nfs/dbraw/zinc/13/11/24/1268131124.db2.gz QYCVNUWTRSZQRR-RYUDHWBXSA-N 0 3 359.434 0.812 20 30 FCEDHN Cn1cc(C#N)cc1-c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1C ZINC001339801950 1268334466 /nfs/dbraw/zinc/33/44/66/1268334466.db2.gz KNHJGRLULNTIPJ-CQSZACIVSA-N 0 3 355.446 0.851 20 30 FCEDHN C=CCn1c(C2CCN(CCO)CC2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001340416966 1268539784 /nfs/dbraw/zinc/53/97/84/1268539784.db2.gz ZOIKIHRGWPKYRV-AWEZNQCLSA-N 0 3 362.478 0.303 20 30 FCEDHN C=CCn1c(-c2ncnn2C)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001340620867 1268606971 /nfs/dbraw/zinc/60/69/71/1268606971.db2.gz PXFUCNZUIJPEFO-UHFFFAOYSA-N 0 3 372.477 0.808 20 30 FCEDHN C=C(C)Cn1c([C@@H](O)COC)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001341713388 1269164725 /nfs/dbraw/zinc/16/47/25/1269164725.db2.gz TYKPKEJHOBCFTE-CVEARBPZSA-N 0 3 365.478 0.693 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC[C@H](c3nc(C)no3)C2)CC1 ZINC001341899810 1269259534 /nfs/dbraw/zinc/25/95/34/1269259534.db2.gz VOPFMWREDUMKQZ-AWEZNQCLSA-N 0 3 361.446 0.851 20 30 FCEDHN C=CCn1c(C2CCN(CCO)CC2)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001342221455 1269402585 /nfs/dbraw/zinc/40/25/85/1269402585.db2.gz SHFARHABUVLMQO-IYBDPMFKSA-N 0 3 365.478 0.486 20 30 FCEDHN COC(=O)C1(C#N)CCN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC001564037307 1269405769 /nfs/dbraw/zinc/40/57/69/1269405769.db2.gz KEZVZUGRIRBREH-OAHLLOKOSA-N 0 3 365.478 0.358 20 30 FCEDHN COCCn1c(C2CCN(CCO)CC2)nnc1N(C)C[C@H](C)C#N ZINC001342758207 1269593659 /nfs/dbraw/zinc/59/36/59/1269593659.db2.gz OVAVIIURNIHOQI-CQSZACIVSA-N 0 3 350.467 0.692 20 30 FCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@](C)(O)C1 ZINC001344660956 1270220285 /nfs/dbraw/zinc/22/02/85/1270220285.db2.gz PZGAYCWWBZHGCQ-LJQANCHMSA-N 0 3 358.442 0.432 20 30 FCEDHN C#CCCCC(=O)N(Cc1c[nH]nn1)C1CCN([C@@H](C)C(=O)N(C)C)CC1 ZINC001574850773 1271600077 /nfs/dbraw/zinc/60/00/77/1271600077.db2.gz VFNDEKDGAQTRRJ-HNNXBMFYSA-N 0 3 374.489 0.878 20 30 FCEDHN C#CCCCCC(=O)N1C[C@H]2CCN(CC(=O)NCc3c[nH]nn3)C[C@H]2C1 ZINC001574866654 1271617090 /nfs/dbraw/zinc/61/70/90/1271617090.db2.gz HWHMIYQZVZRPEM-CVEARBPZSA-N 0 3 372.473 0.395 20 30 FCEDHN C=CCn1c(-c2ccccc2)nnc1N1C[C@@H]2[C@@H](N)CS(=O)(=O)[C@H]2C1 ZINC001574952580 1271684745 /nfs/dbraw/zinc/68/47/45/1271684745.db2.gz TWZZRAXNYYYKDL-ILXRZTDVSA-N 0 3 359.455 0.692 20 30 FCEDHN CC#CC[C@@H](N)C(=O)N1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC001574961941 1271685793 /nfs/dbraw/zinc/68/57/93/1271685793.db2.gz BQLMUKDNKIHASH-CVEARBPZSA-N 0 3 350.440 0.731 20 30 FCEDHN C=C1CC(C)(C(=O)N2CC3(C2)CCN(CC(=O)NCc2c[nH]nn2)CC3)C1 ZINC001575060285 1271704731 /nfs/dbraw/zinc/70/47/31/1271704731.db2.gz XKUHAZPQJHPYOD-UHFFFAOYSA-N 0 3 372.473 0.702 20 30 FCEDHN C=CCCCN1CCO[C@]2(CCN(C(=O)CCOCc3cn[nH]n3)C2)C1 ZINC001575093110 1271716969 /nfs/dbraw/zinc/71/69/69/1271716969.db2.gz FPTXVJPSFORUNR-GOSISDBHSA-N 0 3 363.462 0.981 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@H](C)CNC(=O)c1ccc(-c2cn[nH]n2)nc1 ZINC001575105010 1271721498 /nfs/dbraw/zinc/72/14/98/1271721498.db2.gz ZMFRDFVNPKAROW-NEPJUHHUSA-N 0 3 357.418 0.265 20 30 FCEDHN C[C@H](OCc1cn[nH]n1)C(=O)N1CC[C@H](NCC#Cc2ccccc2)C1 ZINC001575740740 1272410766 /nfs/dbraw/zinc/41/07/66/1272410766.db2.gz GASHHAXGPXIKLJ-RDJZCZTQSA-N 0 3 353.426 0.952 20 30 FCEDHN CN1CCC([NH+]2CCC(Nc3cnc(-c4nnn[n-]4)c(C#N)n3)CC2)CC1 ZINC001579349385 1277205239 /nfs/dbraw/zinc/20/52/39/1277205239.db2.gz NCEHCYWILXLXGB-UHFFFAOYSA-N 0 3 368.449 0.499 20 30 FCEDHN CN1CCC([NH+]2CCC(Nc3cnc(-c4nn[n-]n4)c(C#N)n3)CC2)CC1 ZINC001579349385 1277205247 /nfs/dbraw/zinc/20/52/47/1277205247.db2.gz NCEHCYWILXLXGB-UHFFFAOYSA-N 0 3 368.449 0.499 20 30 FCEDHN COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)C#N)cc1-c1nnn[n-]1 ZINC001580022755 1277993555 /nfs/dbraw/zinc/99/35/55/1277993555.db2.gz OGBCZEVELNPOJT-RYUDHWBXSA-N 0 3 357.418 0.877 20 30 FCEDHN COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)C#N)cc1-c1nn[n-]n1 ZINC001580022755 1277993557 /nfs/dbraw/zinc/99/35/57/1277993557.db2.gz OGBCZEVELNPOJT-RYUDHWBXSA-N 0 3 357.418 0.877 20 30 FCEDHN N#CCCC[C@H](N)C(=O)N1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 ZINC001580047794 1277998301 /nfs/dbraw/zinc/99/83/01/1277998301.db2.gz OXYQXVVEHDJZHA-ILXRZTDVSA-N 0 3 352.435 0.904 20 30 FCEDHN N#CCCN(C(=O)CCC(=O)N[C@H]1COC2(CNC2)C1)c1ccccc1 ZINC001580051664 1277998554 /nfs/dbraw/zinc/99/85/54/1277998554.db2.gz NVKZARPPYSUCTE-OAHLLOKOSA-N 0 3 356.426 0.961 20 30 FCEDHN N#CCCC[C@H](N)C(=O)N1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC001580047796 1277998824 /nfs/dbraw/zinc/99/88/24/1277998824.db2.gz OXYQXVVEHDJZHA-KKUMJFAQSA-N 0 3 352.435 0.904 20 30 FCEDHN C#CCC1([NH2+]C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC001588335784 1282429100 /nfs/dbraw/zinc/42/91/00/1282429100.db2.gz XTJNIJIFEZXPCY-HNNXBMFYSA-N 0 3 357.414 0.769 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588351382 1282447391 /nfs/dbraw/zinc/44/73/91/1282447391.db2.gz QZMVFOZBMUMPOI-YOEHRIQHSA-N 0 3 367.457 0.559 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588355509 1282454618 /nfs/dbraw/zinc/45/46/18/1282454618.db2.gz JAMLSWCOVOTZPC-CJNGLKHVSA-N 0 3 354.414 0.596 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001588356148 1282456658 /nfs/dbraw/zinc/45/66/58/1282456658.db2.gz UBWPWCWWKOHYEC-UONOGXRCSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001588356148 1282456659 /nfs/dbraw/zinc/45/66/59/1282456659.db2.gz UBWPWCWWKOHYEC-UONOGXRCSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001588356148 1282456662 /nfs/dbraw/zinc/45/66/62/1282456662.db2.gz UBWPWCWWKOHYEC-UONOGXRCSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001588356148 1282456667 /nfs/dbraw/zinc/45/66/67/1282456667.db2.gz UBWPWCWWKOHYEC-UONOGXRCSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001588356333 1282459685 /nfs/dbraw/zinc/45/96/85/1282459685.db2.gz WEHJPARVVVOUBK-OLZOCXBDSA-N 0 3 374.420 0.886 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001588356333 1282459691 /nfs/dbraw/zinc/45/96/91/1282459691.db2.gz WEHJPARVVVOUBK-OLZOCXBDSA-N 0 3 374.420 0.886 20 30 FCEDHN C#CCO[C@H](C)C(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588357808 1282467496 /nfs/dbraw/zinc/46/74/96/1282467496.db2.gz NKZYIJJKKLNUSE-NVPAJSRCSA-N 0 3 368.441 0.984 20 30 FCEDHN C#CCO[C@H](C)C(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588357808 1282467502 /nfs/dbraw/zinc/46/75/02/1282467502.db2.gz NKZYIJJKKLNUSE-NVPAJSRCSA-N 0 3 368.441 0.984 20 30 FCEDHN C#CCOCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588358821 1282471269 /nfs/dbraw/zinc/47/12/69/1282471269.db2.gz BWVMUMFMPYBHAT-INIZCTEOSA-N 0 3 354.414 0.597 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588359173 1282472327 /nfs/dbraw/zinc/47/23/27/1282472327.db2.gz YYAMPLWAEAJKAL-ZBFHGGJFSA-N 0 3 368.441 0.843 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588359173 1282472330 /nfs/dbraw/zinc/47/23/30/1282472330.db2.gz YYAMPLWAEAJKAL-ZBFHGGJFSA-N 0 3 368.441 0.843 20 30 FCEDHN C#CCOCCC(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001588360663 1282478334 /nfs/dbraw/zinc/47/83/34/1282478334.db2.gz UMTVKOZWHLBMJN-CQSZACIVSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCOCCC(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001588360663 1282478342 /nfs/dbraw/zinc/47/83/42/1282478342.db2.gz UMTVKOZWHLBMJN-CQSZACIVSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCOCCC(=O)NC1CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001588362306 1282487493 /nfs/dbraw/zinc/48/74/93/1282487493.db2.gz ZOKRWUIKRDOAPW-UHFFFAOYSA-N 0 3 368.441 0.987 20 30 FCEDHN C=CCCC[NH2+]CC1(O)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001588600487 1282580260 /nfs/dbraw/zinc/58/02/60/1282580260.db2.gz CZKOLDHAOCZTCC-UHFFFAOYSA-N 0 3 359.434 0.718 20 30 FCEDHN C=CCCC[NH2+]CC1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001588600487 1282580273 /nfs/dbraw/zinc/58/02/73/1282580273.db2.gz CZKOLDHAOCZTCC-UHFFFAOYSA-N 0 3 359.434 0.718 20 30 FCEDHN C=CCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001588601222 1282581474 /nfs/dbraw/zinc/58/14/74/1282581474.db2.gz ZPGLWZKKJLPOPF-DOMZBBRYSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001588601222 1282581482 /nfs/dbraw/zinc/58/14/82/1282581482.db2.gz ZPGLWZKKJLPOPF-DOMZBBRYSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001588641467 1282605405 /nfs/dbraw/zinc/60/54/05/1282605405.db2.gz FSZNUSQQNZIVOG-HNNXBMFYSA-N 0 3 357.418 0.553 20 30 FCEDHN C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001588660135 1282611438 /nfs/dbraw/zinc/61/14/38/1282611438.db2.gz WVMKFFDUHZSKCG-AAEUAGOBSA-N 0 3 372.433 0.080 20 30 FCEDHN C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001588664166 1282616746 /nfs/dbraw/zinc/61/67/46/1282616746.db2.gz STESYHDFHLMZFK-CJNGLKHVSA-N 0 3 371.445 0.980 20 30 FCEDHN C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001588664166 1282616757 /nfs/dbraw/zinc/61/67/57/1282616757.db2.gz STESYHDFHLMZFK-CJNGLKHVSA-N 0 3 371.445 0.980 20 30 FCEDHN C=CCOCC[N@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001588683298 1282643470 /nfs/dbraw/zinc/64/34/70/1282643470.db2.gz QCNSBRKJTMSTFW-OCCSQVGLSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001588683298 1282643479 /nfs/dbraw/zinc/64/34/79/1282643479.db2.gz QCNSBRKJTMSTFW-OCCSQVGLSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[NH2+]C1(C)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001588682968 1282643551 /nfs/dbraw/zinc/64/35/51/1282643551.db2.gz MIPFRRVDTWWOGO-UHFFFAOYSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCOCC[NH2+]C1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001588682968 1282643560 /nfs/dbraw/zinc/64/35/60/1282643560.db2.gz MIPFRRVDTWWOGO-UHFFFAOYSA-N 0 3 359.434 0.982 20 30 FCEDHN C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@@H]2C1 ZINC001588928550 1282731294 /nfs/dbraw/zinc/73/12/94/1282731294.db2.gz HMVSQDDFQIVZSB-YUELXQCFSA-N 0 3 351.414 0.917 20 30 FCEDHN C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@@H]2C1 ZINC001588928550 1282731304 /nfs/dbraw/zinc/73/13/04/1282731304.db2.gz HMVSQDDFQIVZSB-YUELXQCFSA-N 0 3 351.414 0.917 20 30 FCEDHN C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[n-]n3)C[C@@H]2C1 ZINC001588928550 1282731312 /nfs/dbraw/zinc/73/13/12/1282731312.db2.gz HMVSQDDFQIVZSB-YUELXQCFSA-N 0 3 351.414 0.917 20 30 FCEDHN C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3-c3nn[n-]n3)C[C@@H]2C1 ZINC001588928550 1282731326 /nfs/dbraw/zinc/73/13/26/1282731326.db2.gz HMVSQDDFQIVZSB-YUELXQCFSA-N 0 3 351.414 0.917 20 30 FCEDHN CC(C)C#CC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589380473 1282858183 /nfs/dbraw/zinc/85/81/83/1282858183.db2.gz YPJPFWYTPCWRQG-CQSZACIVSA-N 0 3 374.420 0.574 20 30 FCEDHN C[C@@H](CNC(=O)CSCC#N)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001589874481 1283104285 /nfs/dbraw/zinc/10/42/85/1283104285.db2.gz SUFUFFDBGJQUAK-GFCCVEGCSA-N 0 3 359.459 0.965 20 30 FCEDHN C[C@@H](CNC(=O)CSCC#N)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001589874481 1283104295 /nfs/dbraw/zinc/10/42/95/1283104295.db2.gz SUFUFFDBGJQUAK-GFCCVEGCSA-N 0 3 359.459 0.965 20 30 FCEDHN CN(C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C(=O)C#CC1CC1 ZINC001591045068 1284104363 /nfs/dbraw/zinc/10/43/63/1284104363.db2.gz DTPCXFJSGDTJIW-CQSZACIVSA-N 0 3 372.404 0.328 20 30 FCEDHN CN(CC[NH2+]Cc1ccccc1-c1nnn[n-]1)C(=O)c1cc(C#N)c[nH]1 ZINC001591105152 1284176997 /nfs/dbraw/zinc/17/69/97/1284176997.db2.gz XTUWQJBFQZHBAM-UHFFFAOYSA-N 0 3 350.386 0.928 20 30 FCEDHN CN(CC[NH2+]Cc1ccccc1-c1nn[n-]n1)C(=O)c1cc(C#N)c[nH]1 ZINC001591105152 1284177001 /nfs/dbraw/zinc/17/70/01/1284177001.db2.gz XTUWQJBFQZHBAM-UHFFFAOYSA-N 0 3 350.386 0.928 20 30 FCEDHN COC(=O)C1(C)CN(C(=O)C(C#N)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591244482 1284393381 /nfs/dbraw/zinc/39/33/81/1284393381.db2.gz UVQNJGUKKUHSHP-CYBMUJFWSA-N 0 3 354.370 0.570 20 30 FCEDHN COCC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001591361115 1284495643 /nfs/dbraw/zinc/49/56/43/1284495643.db2.gz JIGSBYQSSPJVAY-CQSZACIVSA-N 0 3 359.434 0.579 20 30 FCEDHN COCC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001591360232 1284496126 /nfs/dbraw/zinc/49/61/26/1284496126.db2.gz AZBDYFUDMKSBQJ-KGLIPLIRSA-N 0 3 371.445 0.675 20 30 FCEDHN COCC#CC[NH2+]C[C@@](C)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001591360425 1284496216 /nfs/dbraw/zinc/49/62/16/1284496216.db2.gz CNMJLHYMPSDBCX-QGZVFWFLSA-N 0 3 357.418 0.333 20 30 FCEDHN COCC#CC[NH2+][C@H](CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001591361844 1284498258 /nfs/dbraw/zinc/49/82/58/1284498258.db2.gz PEKPORWUBICNIO-CQSZACIVSA-N 0 3 373.461 0.921 20 30 FCEDHN COCC#CC[NH2+]C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001591362998 1284499599 /nfs/dbraw/zinc/49/95/99/1284499599.db2.gz YPQMOFUJDUQTGX-MRXNPFEDSA-N 0 3 371.445 0.723 20 30 FCEDHN N#CC1(C[C@@H](O)C[NH2+]CCNc2ccc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001592667962 1285565242 /nfs/dbraw/zinc/56/52/42/1285565242.db2.gz ARDSGZAVJWIMEN-CQSZACIVSA-N 0 3 372.433 0.335 20 30 FCEDHN N#CC1(C[C@@H](O)C[NH2+]CCNc2ccc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001592667962 1285565247 /nfs/dbraw/zinc/56/52/47/1285565247.db2.gz ARDSGZAVJWIMEN-CQSZACIVSA-N 0 3 372.433 0.335 20 30 FCEDHN N#CCSCC(=O)NCCC[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001592679176 1285573794 /nfs/dbraw/zinc/57/37/94/1285573794.db2.gz IFCCGRGJGUOMRJ-UHFFFAOYSA-N 0 3 363.422 0.858 20 30 FCEDHN N#CCSCC(=O)NCCC[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001592679176 1285573800 /nfs/dbraw/zinc/57/38/00/1285573800.db2.gz IFCCGRGJGUOMRJ-UHFFFAOYSA-N 0 3 363.422 0.858 20 30 FCEDHN N#Cc1ccc([C@H](C(=O)[O-])N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC001601094868 1286631878 /nfs/dbraw/zinc/63/18/78/1286631878.db2.gz ZOXCLROXEDPKBF-IXDOHACOSA-N 0 3 370.409 0.941 20 30 FCEDHN C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602716403 1287074237 /nfs/dbraw/zinc/07/42/37/1287074237.db2.gz FGHQGWQHOAZEDO-UHFFFAOYSA-N 0 3 352.395 0.239 20 30 FCEDHN C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602716403 1287074248 /nfs/dbraw/zinc/07/42/48/1287074248.db2.gz FGHQGWQHOAZEDO-UHFFFAOYSA-N 0 3 352.395 0.239 20 30 FCEDHN C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)C1 ZINC001602840850 1287131426 /nfs/dbraw/zinc/13/14/26/1287131426.db2.gz HCOZPEUBUDHEIK-HNNXBMFYSA-N 0 3 370.461 0.603 20 30 FCEDHN C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)C1 ZINC001602840850 1287131430 /nfs/dbraw/zinc/13/14/30/1287131430.db2.gz HCOZPEUBUDHEIK-HNNXBMFYSA-N 0 3 370.461 0.603 20 30 FCEDHN C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)C1 ZINC001602840850 1287131433 /nfs/dbraw/zinc/13/14/33/1287131433.db2.gz HCOZPEUBUDHEIK-HNNXBMFYSA-N 0 3 370.461 0.603 20 30 FCEDHN C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)C1 ZINC001602840850 1287131438 /nfs/dbraw/zinc/13/14/38/1287131438.db2.gz HCOZPEUBUDHEIK-HNNXBMFYSA-N 0 3 370.461 0.603 20 30 FCEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCOCC[NH2+]C ZINC001602856304 1287137923 /nfs/dbraw/zinc/13/79/23/1287137923.db2.gz CRENICCTPFVUSS-UHFFFAOYSA-N 0 3 359.434 0.800 20 30 FCEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCOCC[NH2+]C ZINC001602856304 1287137931 /nfs/dbraw/zinc/13/79/31/1287137931.db2.gz CRENICCTPFVUSS-UHFFFAOYSA-N 0 3 359.434 0.800 20 30 FCEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC001609055477 1288890093 /nfs/dbraw/zinc/89/00/93/1288890093.db2.gz DQLXGXAKENUNKR-HNNXBMFYSA-N 0 3 369.429 0.250 20 30 FCEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC001609055477 1288890101 /nfs/dbraw/zinc/89/01/01/1288890101.db2.gz DQLXGXAKENUNKR-HNNXBMFYSA-N 0 3 369.429 0.250 20 30 FCEDHN C#CCNC(=O)[C@@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)c1nnn(C)c1C ZINC001692063728 1289383015 /nfs/dbraw/zinc/38/30/15/1289383015.db2.gz MGSAZGYZBNGRMA-NFAWXSAZSA-N 0 3 360.462 0.092 20 30 FCEDHN COCC#CCN1CC[C@@H]2CN(C(=O)[C@@H](C)CN3CCOCC3)C[C@@H]2C1 ZINC001692084748 1289391330 /nfs/dbraw/zinc/39/13/30/1289391330.db2.gz KMHKTSOJYGGVJY-OTWHNJEPSA-N 0 3 363.502 0.385 20 30 FCEDHN CCN1CCCC[C@H]1C(=O)N1C[C@H]2CCN(CC(=O)NCC#N)C[C@H]2C1 ZINC001692086759 1289395661 /nfs/dbraw/zinc/39/56/61/1289395661.db2.gz MBKZJYDKRUGDQS-IKGGRYGDSA-N 0 3 361.490 0.281 20 30 FCEDHN Cc1nn(C)c(F)c1C(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)NCC#N ZINC001692096766 1289399054 /nfs/dbraw/zinc/39/90/54/1289399054.db2.gz FWBNINPDGQSLSI-YPMHNXCESA-N 0 3 364.425 0.338 20 30 FCEDHN C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NCC#CC)C1 ZINC001689033987 1294578460 /nfs/dbraw/zinc/57/84/60/1294578460.db2.gz GRKRTMAPTYYPTH-IPMKNSEASA-N 0 3 371.485 0.798 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)CNC(=O)CC(C)(C)C)C[C@H]1c1cnn(C)c1 ZINC001689035737 1294579995 /nfs/dbraw/zinc/57/99/95/1294579995.db2.gz FZNNUFMIDKZYQF-JKSUJKDBSA-N 0 3 359.474 0.490 20 30 FCEDHN C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(CC)CC ZINC001689965903 1294847899 /nfs/dbraw/zinc/84/78/99/1294847899.db2.gz GIQALICCACDCFC-CABCVRRESA-N 0 3 367.519 0.980 20 30 FCEDHN C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(CC)CC ZINC001689965905 1294849159 /nfs/dbraw/zinc/84/91/59/1294849159.db2.gz GIQALICCACDCFC-HUUCEWRRSA-N 0 3 367.519 0.980 20 30 FCEDHN C#CCNC(=O)C1CCN(c2nnc(C)n2CCN2CC=CCC2)CC1 ZINC001690137774 1294860345 /nfs/dbraw/zinc/86/03/45/1294860345.db2.gz IIAURTRBSYAXSP-UHFFFAOYSA-N 0 3 356.474 0.814 20 30 FCEDHN C#CCNC(=O)[C@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)c1cnnc(C)c1 ZINC001691804304 1294925728 /nfs/dbraw/zinc/92/57/28/1294925728.db2.gz UBJMNECCCLNFDE-KMFMINBZSA-N 0 3 357.458 0.753 20 30 FCEDHN C#CCNC(=O)[C@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)c1n[nH]c(C)c1C ZINC001691800730 1294926906 /nfs/dbraw/zinc/92/69/06/1294926906.db2.gz VTZDBJZBVHIPKY-KCXAZCMYSA-N 0 3 359.474 0.995 20 30 FCEDHN C#CCNC(=O)[C@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001691803280 1294927275 /nfs/dbraw/zinc/92/72/75/1294927275.db2.gz ALLRIBJMJRVWJD-YCPHGPKFSA-N 0 3 355.442 0.855 20 30 FCEDHN COCC#CCNC[C@@H]1C[C@H](C)CCN1C(=O)C[C@@H]1CCCS1(=O)=O ZINC001691831524 1294931012 /nfs/dbraw/zinc/93/10/12/1294931012.db2.gz XHCNUEJDIDGUPX-IKGGRYGDSA-N 0 3 370.515 0.820 20 30 FCEDHN C#CCNC(=O)[C@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)c1ccn(CC)n1 ZINC001691844961 1294940898 /nfs/dbraw/zinc/94/08/98/1294940898.db2.gz PRFPIUIFLVZIER-PMPSAXMXSA-N 0 3 359.474 0.871 20 30 FCEDHN N#Cc1c[nH]c2nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)ncc12 ZINC001164746445 720740205 /nfs/dbraw/zinc/74/02/05/720740205.db2.gz YFNRDYUXNQGRRR-KBPBESRZSA-N 0 3 362.397 0.961 20 30 FCEDHN C=C(Cl)CN[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001070273800 837642483 /nfs/dbraw/zinc/64/24/83/837642483.db2.gz HNZIQIQBQPFUNL-ZNMIVQPWSA-N 0 3 352.870 0.856 20 30 FCEDHN CC(C)NC(=O)NCCN1C[C@@H]2CN(C(=O)CSCC#N)C[C@]2(C)C1 ZINC001101135813 844073371 /nfs/dbraw/zinc/07/33/71/844073371.db2.gz YTPPHRCQQLKWPO-PBHICJAKSA-N 0 3 367.519 0.731 20 30 FCEDHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)Nc1cnn(CC#N)c1 ZINC000746436334 836181087 /nfs/dbraw/zinc/18/10/87/836181087.db2.gz NNGCJYCDVKYYKR-UHFFFAOYSA-N 0 3 360.443 0.997 20 30 FCEDHN CCC[C@@H](NC(N)=O)C(=O)N1C[C@H]2CN(CC#CCOC)C[C@@]2(C)C1 ZINC001101446864 844188225 /nfs/dbraw/zinc/18/82/25/844188225.db2.gz MJLKISOKUKFWAV-RKVPGOIHSA-N 0 3 350.463 0.254 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC[C@H]1CNC(=O)CN(C)C(C)C ZINC001061651838 836703595 /nfs/dbraw/zinc/70/35/95/836703595.db2.gz XZJKEADYRNTORB-OAGGEKHMSA-N 0 3 353.463 0.261 20 30 FCEDHN CCOCCO[C@H](C)C(=O)N1C[C@H]2CN(CC#CCOC)C[C@@]2(C)C1 ZINC001101473434 844198521 /nfs/dbraw/zinc/19/85/21/844198521.db2.gz WPBAAGNHRWHRHK-LMMKCTJWSA-N 0 3 352.475 0.858 20 30 FCEDHN COCCCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)CSCC#N)[C@H](C)C1 ZINC001101737212 844239415 /nfs/dbraw/zinc/23/94/15/844239415.db2.gz CPJYBLIHVCXEBA-QLFBSQMISA-N 0 3 370.519 0.468 20 30 FCEDHN C=CCOCC(=O)NC[C@@H]1CN(C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001101818232 844281270 /nfs/dbraw/zinc/28/12/70/844281270.db2.gz JJBPBNLYEDZRPC-BZUAXINKSA-N 0 3 358.504 0.698 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)CC2OCCCO2)[C@H](C)C1 ZINC001101906847 844319557 /nfs/dbraw/zinc/31/95/57/844319557.db2.gz BXUOOBMQAWDAJS-RBSFLKMASA-N 0 3 353.463 0.514 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(CCNC(=O)NC(C)C)C[C@H]1C ZINC001101964423 844350060 /nfs/dbraw/zinc/35/00/60/844350060.db2.gz NURBYFIDELVLDV-OWCLPIDISA-N 0 3 352.479 0.416 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CCCC2CCOCC2)C[C@H]1O ZINC001077698074 839119746 /nfs/dbraw/zinc/11/97/46/839119746.db2.gz QCQSGHDZJQFHEY-TVFCKZIOSA-N 0 3 352.475 0.946 20 30 FCEDHN N#Cc1ccc(CNC[C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)CCCO2)s1 ZINC001078470428 839466548 /nfs/dbraw/zinc/46/65/48/839466548.db2.gz OTGJXIDUDVVMLD-GLQYFDAESA-N 0 3 362.455 0.448 20 30 FCEDHN C=C1CC(C)(C(=O)NC[C@@H]2CN(CCN(C)S(C)(=O)=O)C[C@H]2C)C1 ZINC001102349671 844472928 /nfs/dbraw/zinc/47/29/28/844472928.db2.gz PLRZGLFQLPETNI-HUUCEWRRSA-N 0 3 357.520 0.918 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)c2cn(C)nc2Cl)[C@H](C)C1 ZINC001102507553 844540480 /nfs/dbraw/zinc/54/04/80/844540480.db2.gz FDEJDCZUBOYCKZ-JHJVBQTASA-N 0 3 365.865 0.509 20 30 FCEDHN CCN(CC)C(=O)CCC(=O)NC[C@@H]1CN(CC#CCOC)C[C@H]1C ZINC001102593523 844584304 /nfs/dbraw/zinc/58/43/04/844584304.db2.gz YITXMHQDFFKPCR-IAGOWNOFSA-N 0 3 351.491 0.969 20 30 FCEDHN CC[C@H](C)[C@H](NC(C)=O)C(=O)NC[C@@H]1CN(CC#CCOC)C[C@H]1C ZINC001102591645 844584700 /nfs/dbraw/zinc/58/47/00/844584700.db2.gz UGALNUSNYGYYAN-IDCNUPLLSA-N 0 3 351.491 0.871 20 30 FCEDHN COCC#CCN1C[C@@H](CNC(=O)Cn2c(C)c(C)sc2=O)[C@H](C)C1 ZINC001102600142 844591011 /nfs/dbraw/zinc/59/10/11/844591011.db2.gz OYPKZGLGZAUIPD-CZUORRHYSA-N 0 3 365.499 0.861 20 30 FCEDHN C=CCCOCC(=O)NC[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001102609431 844598475 /nfs/dbraw/zinc/59/84/75/844598475.db2.gz YWRJLMMEGKGRCN-HUUCEWRRSA-N 0 3 361.508 0.155 20 30 FCEDHN C=CCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)CCOCCOC)[C@H](C)C1 ZINC001102611940 844601458 /nfs/dbraw/zinc/60/14/58/844601458.db2.gz YQHVBJLAYTXNKL-OWCLPIDISA-N 0 3 355.479 0.414 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H](C)[C@H](CCNC(=O)COC)C1 ZINC001102625864 844612534 /nfs/dbraw/zinc/61/25/34/844612534.db2.gz GMQTTWFQQSIFPN-HZSPNIEDSA-N 0 3 354.451 0.107 20 30 FCEDHN C=CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)SC)C1 ZINC001102694739 844630581 /nfs/dbraw/zinc/63/05/81/844630581.db2.gz MURVVWCCBKDHRB-MGPQQGTHSA-N 0 3 370.519 0.824 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1c1cnn(C)c1 ZINC001086999400 842208223 /nfs/dbraw/zinc/20/82/23/842208223.db2.gz DUWHKEDNRGDPFT-UONOGXRCSA-N 0 3 354.476 0.313 20 30 FCEDHN C=CCN1CC[C@H](NC[C@@H]2C[C@H](C)CCN2C(=O)CS(C)(=O)=O)C1=O ZINC001087130457 842296650 /nfs/dbraw/zinc/29/66/50/842296650.db2.gz SMNZREUCOJQMHH-ILXRZTDVSA-N 0 3 371.503 0.035 20 30 FCEDHN CC(C)[C@H](C(=O)N[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1O)N(C)C ZINC001090460184 842820847 /nfs/dbraw/zinc/82/08/47/842820847.db2.gz SGOLWTGEIDRVKB-IJLUTSLNSA-N 0 3 371.894 0.920 20 30 FCEDHN CO[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1NC(=O)CN(C)C(C)C ZINC001090892640 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/nfs/dbraw/zinc/81/23/02/857812302.db2.gz YPFDRMIGWIWFMV-KURKYZTESA-N 0 3 351.447 0.697 20 30 FCEDHN C=C[C@@H](O)CNCCS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253598921 857895502 /nfs/dbraw/zinc/89/55/02/857895502.db2.gz BFMXIFZTWVYPRL-CYBMUJFWSA-N 0 3 363.480 0.005 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NC[C@@H]2CCCN(C(C)=O)C2)CC1 ZINC001258211849 858183551 /nfs/dbraw/zinc/18/35/51/858183551.db2.gz RJUGYFUNNCMWJS-HNNXBMFYSA-N 0 3 350.463 0.128 20 30 FCEDHN COCCN(C)CCn1c([C@@H]2CCOC2)nnc1N(C)C[C@H](C)C#N ZINC001316070938 867342885 /nfs/dbraw/zinc/34/28/85/867342885.db2.gz GAWDZWQLEDWWNQ-HUUCEWRRSA-N 0 3 350.467 0.956 20 30 FCEDHN C#CCN1CCC(C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001318931716 867781678 /nfs/dbraw/zinc/78/16/78/867781678.db2.gz CVMVHXJVGHYWNA-CQSZACIVSA-N 0 3 350.444 0.526 20 30 FCEDHN COC1CCN(C(C)(C)CNC(=O)C(=O)NCC2(CC#N)CC2)CC1 ZINC001322829913 868963844 /nfs/dbraw/zinc/96/38/44/868963844.db2.gz JZEWAGPPFGHWPN-UHFFFAOYSA-N 0 3 350.463 0.802 20 30 FCEDHN C#CCN1CCC(C(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)CC1 ZINC001323079433 869050079 /nfs/dbraw/zinc/05/00/79/869050079.db2.gz IJJREDAURSCORU-UHFFFAOYSA-N 0 3 365.455 0.177 20 30 FCEDHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC1 ZINC001323277878 869131443 /nfs/dbraw/zinc/13/14/43/869131443.db2.gz QWWXKZGRGORJHD-QGZVFWFLSA-N 0 3 354.426 0.456 20 30 FCEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@@](C)(C#N)C1 ZINC001325670472 869978730 /nfs/dbraw/zinc/97/87/30/869978730.db2.gz KQLDVFAWEHUVOR-YJBOKZPZSA-N 0 3 350.463 0.708 20 30 FCEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@](C)(C#N)C1 ZINC001325670470 869978844 /nfs/dbraw/zinc/97/88/44/869978844.db2.gz KQLDVFAWEHUVOR-MAUKXSAKSA-N 0 3 350.463 0.708 20 30 FCEDHN CC(=O)NCC(=O)N1CCCN(CCCC2(C#N)CCOCC2)CC1 ZINC001328972686 871750095 /nfs/dbraw/zinc/75/00/95/871750095.db2.gz QMSMOKSNHNBEPH-UHFFFAOYSA-N 0 3 350.463 0.757 20 30 FCEDHN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CN2CCC1CC2 ZINC001336568816 873983552 /nfs/dbraw/zinc/98/35/52/873983552.db2.gz FXKYYWWIOHQGTM-CQSZACIVSA-N 0 3 362.455 0.326 20 30 FCEDHN N#Cc1cnn2c1NC[C@H](C[NH2+]CCOc1ccc(-c3nn[n-]n3)cc1)C2 ZINC000822842405 946200851 /nfs/dbraw/zinc/20/08/51/946200851.db2.gz HFGLNWJLCHDUKN-LBPRGKRZSA-N 0 3 365.401 0.645 20 30 FCEDHN C[C@@H](C#N)C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573560632 946956009 /nfs/dbraw/zinc/95/60/09/946956009.db2.gz DXDZGYALRKPSSX-CMPLNLGQSA-N 0 3 361.381 0.074 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)NCCC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573309602 947206289 /nfs/dbraw/zinc/20/62/89/947206289.db2.gz LLYCLPXCKQUJBZ-QGZVFWFLSA-N 0 3 362.409 0.929 20 30 FCEDHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]Cc1ccc(C#N)cc1 ZINC001574995981 950521003 /nfs/dbraw/zinc/52/10/03/950521003.db2.gz JDOQIVRJFSUDJM-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]Cc1ccc(C#N)cc1 ZINC001574995981 950521023 /nfs/dbraw/zinc/52/10/23/950521023.db2.gz JDOQIVRJFSUDJM-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575019567 951039270 /nfs/dbraw/zinc/03/92/70/951039270.db2.gz UQVDXBCGURUEDR-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000265824704 210228390 /nfs/dbraw/zinc/22/83/90/210228390.db2.gz NMTJUVNWNKJSIB-CQSZACIVSA-N 0 3 357.458 0.805 20 30 FCEDHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000189763058 529887029 /nfs/dbraw/zinc/88/70/29/529887029.db2.gz UDPSWRPARLCHMV-UHFFFAOYSA-N 0 3 361.421 0.732 20 30 FCEDHN CN(CCCNS(=O)(=O)N1CCO[C@@H](C#N)C1)Cc1ccccc1 ZINC000409554444 529891770 /nfs/dbraw/zinc/89/17/70/529891770.db2.gz PWHZMZXNVPJOLD-INIZCTEOSA-N 0 3 352.460 0.567 20 30 FCEDHN N#Cc1ccc(N2CCN(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)CC2)nc1 ZINC000369028779 216334969 /nfs/dbraw/zinc/33/49/69/216334969.db2.gz SMRYNYOMXJUBOD-SJORKVTESA-N 0 3 370.457 0.648 20 30 FCEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000187392191 209210071 /nfs/dbraw/zinc/21/00/71/209210071.db2.gz IDTPKKMNDBGBRK-HNNXBMFYSA-N 0 3 357.458 0.947 20 30 FCEDHN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CCN(C)C1CC1 ZINC000186735918 209196341 /nfs/dbraw/zinc/19/63/41/209196341.db2.gz XTGFBUWBJHPADQ-CYBMUJFWSA-N 0 3 364.471 0.778 20 30 FCEDHN N#Cc1ccc(OC2CCC(NC(=O)C(=O)N[C@H](CN)C3CC3)CC2)nc1 ZINC000419609043 246218813 /nfs/dbraw/zinc/21/88/13/246218813.db2.gz DIIVQMCENDAXHG-UYSNPLJNSA-N 0 3 371.441 0.613 20 30 FCEDHN N#Cc1cccnc1OC1CCC(NC(=O)C(=O)N2CCC[C@@H]2CN)CC1 ZINC000419736636 246276794 /nfs/dbraw/zinc/27/67/94/246276794.db2.gz SZEGEYVEDXDDNT-HWOWSKLDSA-N 0 3 371.441 0.709 20 30 FCEDHN N#CCCC[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000424071326 247165659 /nfs/dbraw/zinc/16/56/59/247165659.db2.gz BCJLVCNUMFQTQH-OAHLLOKOSA-N 0 3 350.444 0.541 20 30 FCEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000424084564 247166683 /nfs/dbraw/zinc/16/66/83/247166683.db2.gz YRRDJFCZJZFEAK-OAHLLOKOSA-N 0 3 366.443 0.667 20 30 FCEDHN N#CCCC[C@@H](N)C(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000424142903 247172406 /nfs/dbraw/zinc/17/24/06/247172406.db2.gz IWXJCAXHSDHZPU-SJLPKXTDSA-N 0 3 360.458 0.592 20 30 FCEDHN C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)[C@@H](N)CCCC#N ZINC000424182117 247177262 /nfs/dbraw/zinc/17/72/62/247177262.db2.gz GDUHKZDBEBEJER-HIFRSBDPSA-N 0 3 352.460 0.881 20 30 FCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1=NN(CCO)C(=O)CC1 ZINC000270751298 211260034 /nfs/dbraw/zinc/26/00/34/211260034.db2.gz IYPGUOWYIANLLJ-UHFFFAOYSA-N 0 3 371.441 0.419 20 30 FCEDHN CN(C)C(=O)CN1CCC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000472102390 250131452 /nfs/dbraw/zinc/13/14/52/250131452.db2.gz RCYCKCBVCLOJCT-KRWDZBQOSA-N 0 3 367.453 0.909 20 30 FCEDHN CCOC[C@H]1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000081520016 208098410 /nfs/dbraw/zinc/09/84/10/208098410.db2.gz SXWDWYXKTXDMHP-HNNXBMFYSA-N 0 3 361.446 0.862 20 30 FCEDHN COC[C@H]1CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000112986322 208305321 /nfs/dbraw/zinc/30/53/21/208305321.db2.gz MKDWCVNHZLLKKT-HNNXBMFYSA-N 0 3 361.446 0.862 20 30 FCEDHN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC[C@](C)(O)CN(C)C)C2)n1 ZINC000153216378 208746728 /nfs/dbraw/zinc/74/67/28/208746728.db2.gz AFAGOMKWXJACGE-LPHOPBHVSA-N 0 3 359.474 0.907 20 30 FCEDHN COCCN(C)CCNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000246700377 533315812 /nfs/dbraw/zinc/31/58/12/533315812.db2.gz JXAMASUJGZXUIX-SFHVURJKSA-N 0 3 359.474 0.984 20 30 FCEDHN CN(C)CCN(Cc1ccccc1)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000080130553 229153814 /nfs/dbraw/zinc/15/38/14/229153814.db2.gz KQAGQGWXBAKFSH-UHFFFAOYSA-N 0 3 373.461 0.976 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@H](C)N1CCC(CCN2CCOCC2)CC1 ZINC000363633932 488866009 /nfs/dbraw/zinc/86/60/09/488866009.db2.gz SMGYGKWVCJWLJT-HNNXBMFYSA-N 0 3 352.479 0.821 20 30 FCEDHN C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OCCN(C)C)cc2)C1=O ZINC000299680086 488866917 /nfs/dbraw/zinc/86/69/17/488866917.db2.gz JGEIAEXLONWBIO-UHFFFAOYSA-N 0 3 374.397 0.542 20 30 FCEDHN C=CCN(CCc1ccco1)C(=O)C(=O)NCCN(C)CCCOC ZINC000288027308 488934223 /nfs/dbraw/zinc/93/42/23/488934223.db2.gz CVYLVEWBNAAZFV-UHFFFAOYSA-N 0 3 351.447 0.921 20 30 FCEDHN CS(=O)(=O)N1CCC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000279438498 488941999 /nfs/dbraw/zinc/94/19/99/488941999.db2.gz FEZPSJPBAFPAQV-HOTGVXAUSA-N 0 3 360.439 0.781 20 30 FCEDHN CC(C)NC(=O)CN1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000279687095 488961912 /nfs/dbraw/zinc/96/19/12/488961912.db2.gz HJYZDYFPLLCZBP-SFHVURJKSA-N 0 3 367.453 0.909 20 30 FCEDHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cc(C#N)ccc2OC)CC1 ZINC000050165191 488106879 /nfs/dbraw/zinc/10/68/79/488106879.db2.gz WXFSFDSRYBRKEC-AWEZNQCLSA-N 0 3 373.457 0.648 20 30 FCEDHN C[C@H](CNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)CN1CCN(C)CC1 ZINC000329061498 488964943 /nfs/dbraw/zinc/96/49/43/488964943.db2.gz NQGRHHJHQFJGNG-XMTFNYHQSA-N 0 3 368.522 0.646 20 30 FCEDHN C#CCN1CCC(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000057172816 488267518 /nfs/dbraw/zinc/26/75/18/488267518.db2.gz OAKYBASAUSEOBQ-UHFFFAOYSA-N 0 3 363.483 0.898 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N1CCC(CC(=O)N2CCN(CC)CC2)CC1 ZINC000066568480 488331909 /nfs/dbraw/zinc/33/19/09/488331909.db2.gz DDXQPEHNGWBGAO-MRXNPFEDSA-N 0 3 350.507 0.943 20 30 FCEDHN C=CCOc1cccc(NC(=O)C(=O)NCCN2CCN(CC)CC2)c1 ZINC000067345734 488348797 /nfs/dbraw/zinc/34/87/97/488348797.db2.gz ONBGROYLXJIKNG-UHFFFAOYSA-N 0 3 360.458 0.944 20 30 FCEDHN C#CCN1CCC(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000068295182 488363375 /nfs/dbraw/zinc/36/33/75/488363375.db2.gz RBWUIRYKDHRKQQ-UHFFFAOYSA-N 0 3 368.481 0.797 20 30 FCEDHN N#Cc1ccccc1NC(=O)CCN1CCC[C@H](CS(N)(=O)=O)C1 ZINC000074288066 488389720 /nfs/dbraw/zinc/38/97/20/488389720.db2.gz POHPNWUNVMNHBK-ZDUSSCGKSA-N 0 3 350.444 0.887 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)CC1 ZINC000076512788 488405397 /nfs/dbraw/zinc/40/53/97/488405397.db2.gz ZPLXPWGCCFHYBH-UHFFFAOYSA-N 0 3 356.426 0.678 20 30 FCEDHN CN(C)CCNC(=O)Cn1cc(NC(=O)c2cccc(F)c2C#N)cn1 ZINC000188242996 488411628 /nfs/dbraw/zinc/41/16/28/488411628.db2.gz 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FCEDHN C#Cc1ccc(C(=O)N2CC[C@H]3CN(C[C@H]4CCc5ncnn54)C[C@H]32)nc1 ZINC001076475966 1194514985 /nfs/dbraw/zinc/51/49/85/1194514985.db2.gz OLTPCZVIRSFHEE-LZLYRXPVSA-N 0 3 362.437 0.988 20 30 FCEDHN C#CCN1CCC(C(=O)N2CC[C@H]3CN(Cc4cnn(C)c4)C[C@H]32)CC1 ZINC001076604602 1194593579 /nfs/dbraw/zinc/59/35/79/1194593579.db2.gz NJPTXISLELWTEP-RBUKOAKNSA-N 0 3 355.486 0.798 20 30 FCEDHN C=CCN1CC[C@@H](N2C[C@@H]3CCN(C(=O)c4cc(CC)n(C)n4)[C@@H]3C2)C1=O ZINC001076638830 1194605624 /nfs/dbraw/zinc/60/56/24/1194605624.db2.gz XZWMVTMPVLVQPR-BMGDILEWSA-N 0 3 371.485 0.916 20 30 FCEDHN C=CCN1c2ccc(NC(=O)[C@H]3CNCCN3)cc2C2(CCOCC2)C1=O ZINC001218837653 1224235405 /nfs/dbraw/zinc/23/54/05/1224235405.db2.gz GPJHKGGSNCZPGY-MRXNPFEDSA-N 0 3 370.453 0.767 20 30 FCEDHN C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)Cc2nc[nH]c2C)[C@@H](n2ccnn2)C1 ZINC000990915298 1194917689 /nfs/dbraw/zinc/91/76/89/1194917689.db2.gz CJENMFOWNBJWRC-CABCVRRESA-N 0 3 371.445 0.633 20 30 FCEDHN C=CCCCN1C[C@H]2OCCN(C(=O)CCCN3C(=O)CNC3=O)[C@H]2C1 ZINC001219028561 1224300465 /nfs/dbraw/zinc/30/04/65/1224300465.db2.gz OLCKBPKYPQQYIG-LSDHHAIUSA-N 0 3 364.446 0.196 20 30 FCEDHN C=CCn1c(-c2ncon2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000908731026 1195762380 /nfs/dbraw/zinc/76/23/80/1195762380.db2.gz LUGLDBASXHNLRA-CYBMUJFWSA-N 0 3 372.433 0.257 20 30 FCEDHN C[C@H]1CNCCN1C(=O)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593783364 1196820103 /nfs/dbraw/zinc/82/01/03/1196820103.db2.gz YELYLNRMNNQPQD-HNNXBMFYSA-N 0 3 369.469 0.459 20 30 FCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCCC[C@H]3CO)CC2)o1 ZINC000594017189 1196846917 /nfs/dbraw/zinc/84/69/17/1196846917.db2.gz UFIMSSNYDVEGNW-HNNXBMFYSA-N 0 3 361.446 0.740 20 30 FCEDHN CNC(=O)c1cc(C#N)cc(C)c1NC(=O)CN1CCCC[C@H](N)C1=O ZINC001219162157 1224371679 /nfs/dbraw/zinc/37/16/79/1224371679.db2.gz WDFCCGBZJLKHIU-AWEZNQCLSA-N 0 3 357.414 0.505 20 30 FCEDHN CC(C)N(C)CC(=O)N1C[C@@H](Nc2cnc(C#N)cn2)[C@@H](n2ccnn2)C1 ZINC001089089659 1196894407 /nfs/dbraw/zinc/89/44/07/1196894407.db2.gz OBRLHVPHHIOBRZ-CABCVRRESA-N 0 3 369.433 0.144 20 30 FCEDHN C#CCN(CC#C)[C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169211243 1199055548 /nfs/dbraw/zinc/05/55/48/1199055548.db2.gz DWWUSTBUCLANOL-HNNXBMFYSA-N 0 3 355.442 0.561 20 30 FCEDHN C#CCOCCC(=O)N[C@@H]1CN([C@H](CCOC)c2ccccc2)C[C@@H]1O ZINC001219609097 1224526896 /nfs/dbraw/zinc/52/68/96/1224526896.db2.gz AWTSWRPZXSFYGR-QRVBRYPASA-N 0 3 360.454 0.965 20 30 FCEDHN N#CCCNC(=O)CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000767143529 1199111815 /nfs/dbraw/zinc/11/18/15/1199111815.db2.gz QSGBMWPVWJAARD-GOSISDBHSA-N 0 3 355.398 0.213 20 30 FCEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2cn(CC)nn2)[C@@H](n2ccnn2)C1 ZINC001129366531 1199123222 /nfs/dbraw/zinc/12/32/22/1199123222.db2.gz UVOKTIUSMYRIQA-LZWOXQAQSA-N 0 3 358.450 0.900 20 30 FCEDHN CCCCCCCN1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](n2ccnn2)C1 ZINC001129375580 1200007615 /nfs/dbraw/zinc/00/76/15/1200007615.db2.gz FPVUBJXQHUXHKU-CABCVRRESA-N 0 3 360.466 0.951 20 30 FCEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)c1ccncc1)C2 ZINC001109314103 1200187883 /nfs/dbraw/zinc/18/78/83/1200187883.db2.gz DZYKNSXQXLEIDO-IKGGRYGDSA-N 0 3 358.442 0.736 20 30 FCEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC(=O)N(CCOC)C1)C2 ZINC001109361247 1200205073 /nfs/dbraw/zinc/20/50/73/1200205073.db2.gz PTXZVBHLDPBZOS-YVSFHVDLSA-N 0 3 365.474 0.405 20 30 FCEDHN CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)C(C#N)C(=O)NC1CC1)C2=O ZINC000768764304 1200215344 /nfs/dbraw/zinc/21/53/44/1200215344.db2.gz BYRMJOUYGBQVKS-KPZWWZAWSA-N 0 3 360.414 0.865 20 30 FCEDHN C#CCC1(C(=O)N[C@@H]2CN(C[C@H](OC)C3CCC3)C[C@@H]2O)CCOCC1 ZINC001219784267 1224612110 /nfs/dbraw/zinc/61/21/10/1224612110.db2.gz VKVGXLXUUASMAL-SQNIBIBYSA-N 0 3 364.486 0.783 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cnc[nH]1)C2 ZINC001109762752 1200509180 /nfs/dbraw/zinc/50/91/80/1200509180.db2.gz DDVBNKXZOJXCFU-ATGSNQNLSA-N 0 3 374.445 0.074 20 30 FCEDHN C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)CCCCCC)C2 ZINC001109857963 1200569139 /nfs/dbraw/zinc/56/91/39/1200569139.db2.gz MHTAQNADEQHZSU-SQNIBIBYSA-N 0 3 362.518 0.969 20 30 FCEDHN CN(C)[C@@H](C(=O)N[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@@H]1O)C1CC1 ZINC001219804351 1224624567 /nfs/dbraw/zinc/62/45/67/1224624567.db2.gz TWELWSLVFMDZOJ-CEXWTWQISA-N 0 3 359.445 0.679 20 30 FCEDHN CC(C)[C@H](C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1O)N1CCCC1 ZINC001090432230 1200695070 /nfs/dbraw/zinc/69/50/70/1200695070.db2.gz AIPHVSXBACNBIS-JFIYKMOQSA-N 0 3 357.458 0.739 20 30 FCEDHN C#C[C@@H](NC(=O)C(=O)NCCCN1CCc2ccccc2C1)[C@@H]1CCCO1 ZINC000787713278 1200900456 /nfs/dbraw/zinc/90/04/56/1200900456.db2.gz WVWMXPFYNLJLTB-MOPGFXCFSA-N 0 3 369.465 0.848 20 30 FCEDHN C[C@H](CNC(=O)C(=O)NCCNc1ncccc1C#N)N1CCC[C@@H](C)C1 ZINC000787775838 1200909409 /nfs/dbraw/zinc/90/94/09/1200909409.db2.gz BNMUDQLXALBQOR-HUUCEWRRSA-N 0 3 372.473 0.718 20 30 FCEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001086595923 1201132910 /nfs/dbraw/zinc/13/29/10/1201132910.db2.gz AXEPSGGENHGBRS-RBUKOAKNSA-N 0 3 368.481 0.368 20 30 FCEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001086619415 1201281120 /nfs/dbraw/zinc/28/11/20/1201281120.db2.gz OJACBCCIBXZPOB-DLBZAZTESA-N 0 3 368.437 0.488 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)CCCCCNC(C)=O)[C@@H](n2ccnn2)C1 ZINC001129421730 1201301465 /nfs/dbraw/zinc/30/14/65/1201301465.db2.gz DDMGVDLQSWMIFK-SJORKVTESA-N 0 3 362.478 0.892 20 30 FCEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H](C)CN2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129433714 1201315812 /nfs/dbraw/zinc/31/58/12/1201315812.db2.gz OBGCJUNXXOOWLE-BBWFWOEESA-N 0 3 362.478 0.164 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)CNC(=O)[C@@H](C)CC)[C@@H](n2ccnn2)C1 ZINC001129437848 1201316050 /nfs/dbraw/zinc/31/60/50/1201316050.db2.gz HTWIPLPYECGZLL-XHSDSOJGSA-N 0 3 362.478 0.748 20 30 FCEDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)NCCNc1ccc(C#N)cn1 ZINC000804419116 1201319246 /nfs/dbraw/zinc/31/92/46/1201319246.db2.gz DPBABSOLMPTLBX-OAHLLOKOSA-N 0 3 358.446 0.472 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)CNC(=O)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129460014 1201325473 /nfs/dbraw/zinc/32/54/73/1201325473.db2.gz GHJYFQLFLKGNKL-CVEARBPZSA-N 0 3 360.462 0.502 20 30 FCEDHN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001086623064 1201339121 /nfs/dbraw/zinc/33/91/21/1201339121.db2.gz IOANCZJMOHMHRJ-JKSUJKDBSA-N 0 3 356.426 0.699 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)Cc2cc(C)on2)C[C@@H]1n1ccnn1 ZINC001129699217 1201372994 /nfs/dbraw/zinc/37/29/94/1201372994.db2.gz OHUDBMUBIPGKPD-CVEARBPZSA-N 0 3 360.418 0.361 20 30 FCEDHN C=C[C@](C)(O)CC(=O)N1C[C@@H](NCCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001129795256 1201391230 /nfs/dbraw/zinc/39/12/30/1201391230.db2.gz DJUQKDBYACGZDT-RYRKJORJSA-N 0 3 363.462 0.516 20 30 FCEDHN C#CCCCCC(=O)N1C[C@@H](NCCn2cccn2)[C@@H](n2ccnn2)C1 ZINC001129778674 1201395691 /nfs/dbraw/zinc/39/56/91/1201395691.db2.gz ZRLKKTGWQJAEOA-SJORKVTESA-N 0 3 355.446 0.710 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2ccnn2CC)C[C@@H]1n1ccnn1 ZINC001129782389 1201396674 /nfs/dbraw/zinc/39/66/74/1201396674.db2.gz JKGOOLRAHPJMTE-ZBFHGGJFSA-N 0 3 359.434 0.352 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2ccoc2)C[C@@H]1n1ccnn1 ZINC001129867024 1201417211 /nfs/dbraw/zinc/41/72/11/1201417211.db2.gz NIWYRYOFDQNNJM-CFVMTHIKSA-N 0 3 358.402 0.217 20 30 FCEDHN C=C[C@H](CC)CC(=O)N1C[C@@H](NCCOCCOC)[C@@H](n2ccnn2)C1 ZINC001129978223 1201460239 /nfs/dbraw/zinc/46/02/39/1201460239.db2.gz VZGQDRADRZPWGP-ZACQAIPSSA-N 0 3 365.478 0.885 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2cnc(C)nc2C)C[C@@H]1n1ccnn1 ZINC001130045779 1201486006 /nfs/dbraw/zinc/48/60/06/1201486006.db2.gz AIHDYBLWYXHNGB-SJORKVTESA-N 0 3 371.445 0.543 20 30 FCEDHN C#Cc1ccccc1CC(=O)N1C[C@@H](NCCOCC)[C@@H](n2ccnn2)C1 ZINC001130109778 1201503965 /nfs/dbraw/zinc/50/39/65/1201503965.db2.gz GPAPOJLELAHQQK-MOPGFXCFSA-N 0 3 367.453 0.880 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)OCC2CC2)[n-]1 ZINC001130190506 1201529572 /nfs/dbraw/zinc/52/95/72/1201529572.db2.gz BWKHUTZTTSLDPT-SNPRPXQTSA-N 0 3 361.446 0.331 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2=COCCC2)[n-]1 ZINC001130193125 1201529985 /nfs/dbraw/zinc/52/99/85/1201529985.db2.gz JSNOGRJDIZDTPO-GJZGRUSLSA-N 0 3 359.430 0.601 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CC(F)(F)C2)[n-]1 ZINC001130198330 1201533408 /nfs/dbraw/zinc/53/34/08/1201533408.db2.gz GPOYDGXDBFLYET-STQMWFEESA-N 0 3 367.400 0.952 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[C@@H]2CCOC2)[n-]1 ZINC001130198234 1201533596 /nfs/dbraw/zinc/53/35/96/1201533596.db2.gz BBJOXNUFCXSCMS-ILXRZTDVSA-N 0 3 361.446 0.333 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc[nH]c(=O)c2)[n-]1 ZINC001130198427 1201533954 /nfs/dbraw/zinc/53/39/54/1201533954.db2.gz KOKHUWFRRMAVSK-KBPBESRZSA-N 0 3 370.413 0.321 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccc(C)n2)[n-]1 ZINC001130185010 1201538775 /nfs/dbraw/zinc/53/87/75/1201538775.db2.gz RNWAQTRQVSGDOZ-ZFWWWQNUSA-N 0 3 354.414 0.533 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c[nH]c(C#N)c2)[n-]1 ZINC001130205419 1201540316 /nfs/dbraw/zinc/54/03/16/1201540316.db2.gz YYCPBFJSOVPGCN-GJZGRUSLSA-N 0 3 367.413 0.420 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccncc2C)[n-]1 ZINC001130207645 1201541501 /nfs/dbraw/zinc/54/15/01/1201541501.db2.gz KERGZWFSDQLAPK-GJZGRUSLSA-N 0 3 354.414 0.533 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2CCC(O)CC2)[n-]1 ZINC001130207716 1201542143 /nfs/dbraw/zinc/54/21/43/1201542143.db2.gz NBKVRVKMEFXKES-WUCCLRPBSA-N 0 3 361.446 0.067 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)n2cccc2)[n-]1 ZINC001130200134 1201547573 /nfs/dbraw/zinc/54/75/73/1201547573.db2.gz AZJLUVNPOWYOFK-KKUMJFAQSA-N 0 3 356.430 0.579 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@]23CCC[C@H]2OCC3)[n-]1 ZINC001130222718 1201551739 /nfs/dbraw/zinc/55/17/39/1201551739.db2.gz BMOXBHQRMZDLNX-ZTENYAIWSA-N 0 3 373.457 0.475 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cncc(CC)c2)[n-]1 ZINC001130223445 1201552571 /nfs/dbraw/zinc/55/25/71/1201552571.db2.gz UTADPSZVXDXFSK-HOTGVXAUSA-N 0 3 368.441 0.787 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2conc2CC)[n-]1 ZINC001130232906 1201557705 /nfs/dbraw/zinc/55/77/05/1201557705.db2.gz SQXBVVQUICIXGC-FZMZJTMJSA-N 0 3 358.402 0.380 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)c2cncnc2)[n-]1 ZINC001130234658 1201558162 /nfs/dbraw/zinc/55/81/62/1201558162.db2.gz GREMQUPQBKZLOQ-SNPRPXQTSA-N 0 3 369.429 0.110 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCO[C@H]2C=C)[n-]1 ZINC001130238015 1201560380 /nfs/dbraw/zinc/56/03/80/1201560380.db2.gz OVMXSRNEQJERLZ-XGUBFFRZSA-N 0 3 359.430 0.107 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2cccnc2C)[n-]1 ZINC001130238207 1201561759 /nfs/dbraw/zinc/56/17/59/1201561759.db2.gz YTYLHOYTLLRJBS-HOTGVXAUSA-N 0 3 368.441 0.462 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C(C)(F)F)CC2)[n-]1 ZINC001130238100 1201562141 /nfs/dbraw/zinc/56/21/41/1201562141.db2.gz TVPSJMXJUYTZGT-RYUDHWBXSA-N 0 3 367.400 0.952 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C3CC3)no2)[n-]1 ZINC001130242100 1201562662 /nfs/dbraw/zinc/56/26/62/1201562662.db2.gz FKVOMSBGUKOJDH-WFASDCNBSA-N 0 3 370.413 0.695 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@]2(C)CCCOC2)[n-]1 ZINC001130244926 1201565557 /nfs/dbraw/zinc/56/55/57/1201565557.db2.gz RAKVFVPRDFNTGX-DEYYWGMASA-N 0 3 361.446 0.333 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H](C)COC)[n-]1 ZINC001130246386 1201565832 /nfs/dbraw/zinc/56/58/32/1201565832.db2.gz IZICLFKIPHQEOO-KKUMJFAQSA-N 0 3 363.462 0.579 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C#C)cn2)[n-]1 ZINC001130246068 1201565986 /nfs/dbraw/zinc/56/59/86/1201565986.db2.gz CRDKKDJWANAUSX-HOCLYGCPSA-N 0 3 364.409 0.206 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(OC)cc2)[n-]1 ZINC001130247044 1201567873 /nfs/dbraw/zinc/56/78/73/1201567873.db2.gz RQEPWSBTCPQEHO-HOTGVXAUSA-N 0 3 369.425 0.839 20 30 FCEDHN COCC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)C)[n-]1 ZINC001130249202 1201568708 /nfs/dbraw/zinc/56/87/08/1201568708.db2.gz OXFYBKNQUSVOGX-KBPBESRZSA-N 0 3 363.462 0.579 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCn2cccn2)[n-]1 ZINC001130251290 1201569881 /nfs/dbraw/zinc/56/98/81/1201569881.db2.gz LOROGJPIKZPWFJ-GJZGRUSLSA-N 0 3 371.445 0.193 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2[nH]cnc2CC)[n-]1 ZINC001130251249 1201570671 /nfs/dbraw/zinc/57/06/71/1201570671.db2.gz KBUNCANWBDQOIC-JSGCOSHPSA-N 0 3 371.445 0.506 20 30 FCEDHN C=CCCOCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#CC)[n-]1 ZINC001130253693 1201571105 /nfs/dbraw/zinc/57/11/05/1201571105.db2.gz KKUSXSAOLQUSEY-GJZGRUSLSA-N 0 3 361.446 0.499 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CNC(=O)CC)CC1 ZINC001130285112 1201576238 /nfs/dbraw/zinc/57/62/38/1201576238.db2.gz ALTBIQIEVKHSHK-BEFAXECRSA-N 0 3 362.474 0.011 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](CC)NC(C)=O)CC1 ZINC001130302149 1201580740 /nfs/dbraw/zinc/58/07/40/1201580740.db2.gz PWSBKAIQHPAFES-JZXOWHBKSA-N 0 3 364.490 0.563 20 30 FCEDHN C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@@H](C)n2ccnc2)CC1 ZINC001130305269 1201581729 /nfs/dbraw/zinc/58/17/29/1201581729.db2.gz QIIMYXRHEHKBRU-MDYRTPRTSA-N 0 3 371.485 0.943 20 30 FCEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@@H](O)C1 ZINC001220055070 1224739439 /nfs/dbraw/zinc/73/94/39/1224739439.db2.gz HOSBSPVBNSFRMG-MAZHCROVSA-N 0 3 357.418 0.187 20 30 FCEDHN C=CCCCCCN1C[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@@H](O)C1 ZINC001220055278 1224739792 /nfs/dbraw/zinc/73/97/92/1224739792.db2.gz QPDGGDTZORGDQH-SJORKVTESA-N 0 3 371.445 0.579 20 30 FCEDHN CC[C@H]1CCCCN1CCNC(=O)C(=O)NCCNc1ccc(C#N)cn1 ZINC000806254812 1202719948 /nfs/dbraw/zinc/71/99/48/1202719948.db2.gz ULQSNHAQYZIQRJ-INIZCTEOSA-N 0 3 372.473 0.862 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCc3cncn3C2)C[C@H]1c1cn(C)cn1 ZINC001130616804 1202737368 /nfs/dbraw/zinc/73/73/68/1202737368.db2.gz CFUMXGBXSDKDDY-HHXXYDBFSA-N 0 3 366.469 0.787 20 30 FCEDHN C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1c1cn(C)cn1 ZINC001130652255 1202743003 /nfs/dbraw/zinc/74/30/03/1202743003.db2.gz LSHSQJYCSNQRMK-DZGCQCFKSA-N 0 3 356.430 0.998 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1c1cn(C)cn1 ZINC001130692547 1202755417 /nfs/dbraw/zinc/75/54/17/1202755417.db2.gz PYUNOGULDOJELF-FUHWJXTLSA-N 0 3 359.474 0.050 20 30 FCEDHN COCC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3CCC3)n[n-]2)O1 ZINC001130745184 1202773233 /nfs/dbraw/zinc/77/32/33/1202773233.db2.gz UKRAKALUTHELIG-LSDHHAIUSA-N 0 3 361.446 0.681 20 30 FCEDHN CC[C@@H](C)C(=O)NCc1n[n-]c([C@H]2CC[C@@H](C[NH2+]CC#CCOC)O2)n1 ZINC001130757671 1202780290 /nfs/dbraw/zinc/78/02/90/1202780290.db2.gz FPNSIVGCZSTMHX-QLFBSQMISA-N 0 3 363.462 0.927 20 30 FCEDHN C[C@@H](C#N)C(=O)NCc1nc([C@H]2CC[C@@H](CNCc3ncccn3)O2)n[nH]1 ZINC001130769795 1202786524 /nfs/dbraw/zinc/78/65/24/1202786524.db2.gz ONEBFSWIFLZOAD-RWMBFGLXSA-N 0 3 370.417 0.380 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CCCO[C@H]3C=C)n[n-]2)O1 ZINC001130783292 1202794674 /nfs/dbraw/zinc/79/46/74/1202794674.db2.gz VTQCMWKUBCLKIR-XUWVNRHRSA-N 0 3 373.457 0.845 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@@H]3CCCO[C@H]3C=C)n2)O1 ZINC001130783292 1202794679 /nfs/dbraw/zinc/79/46/79/1202794679.db2.gz VTQCMWKUBCLKIR-XUWVNRHRSA-N 0 3 373.457 0.845 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cn3nc(C)cc3C)n[n-]2)O1 ZINC001130794052 1202794915 /nfs/dbraw/zinc/79/49/15/1202794915.db2.gz JZIVCZZJWGNXME-LSDHHAIUSA-N 0 3 371.445 0.377 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)Cn3nc(C)cc3C)n2)O1 ZINC001130794052 1202794919 /nfs/dbraw/zinc/79/49/19/1202794919.db2.gz JZIVCZZJWGNXME-LSDHHAIUSA-N 0 3 371.445 0.377 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](OC)C3CCC3)n[n-]2)O1 ZINC001130794100 1202795079 /nfs/dbraw/zinc/79/50/79/1202795079.db2.gz MJIDVCFHDQIAMN-LZWOXQAQSA-N 0 3 361.446 0.679 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@@H](OC)C3CCC3)n2)O1 ZINC001130794100 1202795085 /nfs/dbraw/zinc/79/50/85/1202795085.db2.gz MJIDVCFHDQIAMN-LZWOXQAQSA-N 0 3 361.446 0.679 20 30 FCEDHN COCC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3C[C@H]3C)n[n-]2)O1 ZINC001130796159 1202796748 /nfs/dbraw/zinc/79/67/48/1202796748.db2.gz KRAPNGIXIXSXMV-LXTVHRRPSA-N 0 3 361.446 0.536 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cn3nccc3C)n[n-]2)O1 ZINC001130811960 1202804867 /nfs/dbraw/zinc/80/48/67/1202804867.db2.gz UHXDRKSPLVLFMU-UONOGXRCSA-N 0 3 357.418 0.069 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)Cn3nccc3C)n2)O1 ZINC001130811960 1202804869 /nfs/dbraw/zinc/80/48/69/1202804869.db2.gz UHXDRKSPLVLFMU-UONOGXRCSA-N 0 3 357.418 0.069 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3c[nH]c(C)cc3=O)n[n-]2)O1 ZINC001130816401 1202807158 /nfs/dbraw/zinc/80/71/58/1202807158.db2.gz VGUDGLBDNNYTTR-SWLSCSKDSA-N 0 3 370.413 0.174 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3c[nH]c(C)cc3=O)n2)O1 ZINC001130816401 1202807159 /nfs/dbraw/zinc/80/71/59/1202807159.db2.gz VGUDGLBDNNYTTR-SWLSCSKDSA-N 0 3 370.413 0.174 20 30 FCEDHN COCC#CCN[C@@H]1CN(C(=O)c2ccccc2O)C[C@H]1c1cncn1C ZINC001130915292 1202822414 /nfs/dbraw/zinc/82/24/14/1202822414.db2.gz HSKXDVSWOIOLDY-IAGOWNOFSA-N 0 3 368.437 0.973 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC)C2)C[C@H]1c1cncn1C ZINC001131006095 1202841571 /nfs/dbraw/zinc/84/15/71/1202841571.db2.gz KYWLVYDTRORWFP-ARFHVFGLSA-N 0 3 357.458 0.196 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2ccnc3ccnn32)C[C@H]1c1cncn1C ZINC001131008040 1202842225 /nfs/dbraw/zinc/84/22/25/1202842225.db2.gz SSLMDBIVXYVQGX-HUUCEWRRSA-N 0 3 363.425 0.684 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCc3cncn3C2)C[C@H]1c1cncn1C ZINC001131017877 1202843713 /nfs/dbraw/zinc/84/37/13/1202843713.db2.gz PZLSEGCXRHPTSG-KBAYOESNSA-N 0 3 366.469 0.787 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@H]2CCn3ccnc3C2)C[C@H]1c1cncn1C ZINC001131017948 1202843715 /nfs/dbraw/zinc/84/37/15/1202843715.db2.gz UMIUNEZDGRDIBE-GVDBMIGSSA-N 0 3 366.469 0.787 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCn3cncc3C2)C[C@H]1c1cncn1C ZINC001131019894 1202846423 /nfs/dbraw/zinc/84/64/23/1202846423.db2.gz FUKZSHDNWQDNKG-KBAYOESNSA-N 0 3 366.469 0.787 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1c1cncn1C ZINC001131023254 1202847261 /nfs/dbraw/zinc/84/72/61/1202847261.db2.gz VDLMTMPQZGINLK-HZPDHXFCSA-N 0 3 353.426 0.340 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2c(C)nn(C)c2OC)C[C@H]1c1cncn1C ZINC001131081852 1202858695 /nfs/dbraw/zinc/85/86/95/1202858695.db2.gz CAZOCOBGZDSGQW-HUUCEWRRSA-N 0 3 370.457 0.692 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2cn(CCC)nn2)C[C@H]1c1cncn1C ZINC001131098799 1202860177 /nfs/dbraw/zinc/86/01/77/1202860177.db2.gz LJTDSBXKEWLNSV-HUUCEWRRSA-N 0 3 355.446 0.643 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)C2(NC(C)=O)CCCC2)C[C@H]1c1cncn1C ZINC001131089454 1202860852 /nfs/dbraw/zinc/86/08/52/1202860852.db2.gz IGEJJENEPPPZGI-IAGOWNOFSA-N 0 3 371.485 0.776 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2ccc(C(N)=O)s2)C[C@H]1c1cncn1C ZINC001131093639 1202861746 /nfs/dbraw/zinc/86/17/46/1202861746.db2.gz AWBKQYIVXGJEFY-CHWSQXEVSA-N 0 3 371.466 0.802 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@H](C)c2cnn(C)c2)C[C@H]1c1cncn1C ZINC001131138481 1202867509 /nfs/dbraw/zinc/86/75/09/1202867509.db2.gz DOXXXZDUUDDAEP-DJIMGWMZSA-N 0 3 354.458 0.865 20 30 FCEDHN COCCN(C)CCN1C[C@@H](NC(=O)/C=C/c2ccccc2C#N)CC1=O ZINC000808271079 1202878531 /nfs/dbraw/zinc/87/85/31/1202878531.db2.gz MEQXBTMSMOOGDJ-DVBCCOPCSA-N 0 3 370.453 0.867 20 30 FCEDHN C#CCCN1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001131316430 1202885181 /nfs/dbraw/zinc/88/51/81/1202885181.db2.gz IYEMHBOSCLULRV-ZACQAIPSSA-N 0 3 362.474 0.457 20 30 FCEDHN C#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2NCC(=O)NCC#N)CC1 ZINC001131483176 1202902318 /nfs/dbraw/zinc/90/23/18/1202902318.db2.gz REOSHYIWJSHOBQ-APWZRJJASA-N 0 3 360.458 0.415 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)CC2(C)CC2)CC1 ZINC001131531967 1202910687 /nfs/dbraw/zinc/91/06/87/1202910687.db2.gz RZUKTZQXLMCQLM-APWZRJJASA-N 0 3 361.486 0.912 20 30 FCEDHN C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001131543084 1202912601 /nfs/dbraw/zinc/91/26/01/1202912601.db2.gz OKJXBGOSXWPZJC-HNAYVOBHSA-N 0 3 358.442 0.682 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001131577963 1202916187 /nfs/dbraw/zinc/91/61/87/1202916187.db2.gz JLELIPSMQUTWLT-FAJBIJEISA-N 0 3 374.485 0.658 20 30 FCEDHN C#C[C@H](NC(=O)C(=O)N(CCc1ccccc1)CCN(C)C)[C@@H]1CCCO1 ZINC000809309859 1202925056 /nfs/dbraw/zinc/92/50/56/1202925056.db2.gz HLBFDVNUVJZUCV-OALUTQOASA-N 0 3 371.481 0.916 20 30 FCEDHN C#C[C@H](NC(=O)C(=O)N(CCc1ccccc1)CCN(C)C)[C@H]1CCCO1 ZINC000809309861 1202925065 /nfs/dbraw/zinc/92/50/65/1202925065.db2.gz HLBFDVNUVJZUCV-RBUKOAKNSA-N 0 3 371.481 0.916 20 30 FCEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001131648227 1202925797 /nfs/dbraw/zinc/92/57/97/1202925797.db2.gz QXWCPAVSYXEQPN-LTIDMASMSA-N 0 3 367.490 0.557 20 30 FCEDHN COc1ccc(CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)cc1C#N ZINC000809502027 1202931055 /nfs/dbraw/zinc/93/10/55/1202931055.db2.gz ZODHRKWVYWRJRX-INIZCTEOSA-N 0 3 356.426 0.880 20 30 FCEDHN COc1ccc(CNC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1C#N ZINC000809504043 1202931148 /nfs/dbraw/zinc/93/11/48/1202931148.db2.gz FDXIEQBNVYGTIE-ZDUSSCGKSA-N 0 3 356.426 0.950 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCCNCC(=O)NC(=O)NC1CCCCC1 ZINC001134049766 1203011397 /nfs/dbraw/zinc/01/13/97/1203011397.db2.gz NVKBXZBCYYTCCR-CABCVRRESA-N 0 3 366.462 0.442 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCCNCC(=O)NCc1ccc(OC)cc1 ZINC001134062076 1203011907 /nfs/dbraw/zinc/01/19/07/1203011907.db2.gz QJYNWVWRWYILKB-SJORKVTESA-N 0 3 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ZINC001069908510 1216835022 /nfs/dbraw/zinc/83/50/22/1216835022.db2.gz ALVYTFNDFFCLEA-WQVCFCJDSA-N 0 3 355.402 0.170 20 30 FCEDHN N#Cc1cc(C(=O)N[C@@H]2CN(CC[C@H]3CCCO3)C[C@@H]2n2ccnn2)c[nH]1 ZINC001069911615 1216838958 /nfs/dbraw/zinc/83/89/58/1216838958.db2.gz ASVKBCHVPAMOKW-ZACQAIPSSA-N 0 3 369.429 0.702 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H]2CC(=O)N(CC)C2)[C@@H](n2ccnn2)C1 ZINC001069942386 1216856793 /nfs/dbraw/zinc/85/67/93/1216856793.db2.gz ZKDXJOUFYSYYSI-OAGGEKHMSA-N 0 3 360.462 0.454 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)c2cc(=O)[nH]c(C3CC3)n2)[C@@H](n2ccnn2)C1 ZINC001069953596 1216864366 /nfs/dbraw/zinc/86/43/66/1216864366.db2.gz NMAAOMWCAXQFRS-CABCVRRESA-N 0 3 369.429 0.883 20 30 FCEDHN CC#CCN1C[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070046722 1216922283 /nfs/dbraw/zinc/92/22/83/1216922283.db2.gz LDCVINLTHHBFAO-KURKYZTESA-N 0 3 358.490 0.906 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)c2ccc3nncn3c2)[C@@H](n2ccnn2)C1 ZINC001070051736 1216928487 /nfs/dbraw/zinc/92/84/87/1216928487.db2.gz MOQUASHKXFQLDR-CVEARBPZSA-N 0 3 366.429 0.942 20 30 FCEDHN C[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001042680844 1217444433 /nfs/dbraw/zinc/44/44/33/1217444433.db2.gz RONFMGYXCJKOTI-BVVDNFFRSA-N 0 3 367.453 0.757 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001043043227 1217567271 /nfs/dbraw/zinc/56/72/71/1217567271.db2.gz FLEGRHYTWSTUDB-OAGGEKHMSA-N 0 3 365.474 0.140 20 30 FCEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)CN(C)C(C)C)C1 ZINC001043222400 1217594184 /nfs/dbraw/zinc/59/41/84/1217594184.db2.gz OHNFVUMSVROQMI-RDJZCZTQSA-N 0 3 367.490 0.387 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001043256638 1217614365 /nfs/dbraw/zinc/61/43/65/1217614365.db2.gz FLCOOJMJXYQZLQ-PMPSAXMXSA-N 0 3 367.490 0.243 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(O)CN(C(=O)CN(C)C2CCC2)C1 ZINC001043257012 1217614718 /nfs/dbraw/zinc/61/47/18/1217614718.db2.gz 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Cc1cc(C#N)nc(N2C[C@@H](NC(=O)C(C)(C)N3CCCC3)[C@@H](O)C2)n1 ZINC001044382565 1217842353 /nfs/dbraw/zinc/84/23/53/1217842353.db2.gz OFFYRRCHBJDHME-CABCVRRESA-N 0 3 358.446 0.197 20 30 FCEDHN CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1O ZINC001044779228 1217879842 /nfs/dbraw/zinc/87/98/42/1217879842.db2.gz XBJWBXLKERBNDT-PMPSAXMXSA-N 0 3 358.446 0.134 20 30 FCEDHN C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1)C2 ZINC001045967306 1217981824 /nfs/dbraw/zinc/98/18/24/1217981824.db2.gz QKOUPBRLAASVIW-QKLQHJQFSA-N 0 3 361.486 0.960 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)no1 ZINC001224765905 1225792814 /nfs/dbraw/zinc/79/28/14/1225792814.db2.gz IDRHNGWERGMASP-CHWSQXEVSA-N 0 3 363.418 0.625 20 30 FCEDHN CCCNC(=O)CN(C)C(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)C#N ZINC001225426112 1225810807 /nfs/dbraw/zinc/81/08/07/1225810807.db2.gz FWROECUKQMZSOV-RRFJBIMHSA-N 0 3 365.478 0.148 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CN(C(=O)CN(CC)CC)C[C@@H]1O ZINC001048916660 1218339915 /nfs/dbraw/zinc/33/99/15/1218339915.db2.gz PJEHQKSPQCVUGU-OVWQWFNUSA-N 0 3 367.490 0.340 20 30 FCEDHN C#Cc1cccc(NC(=O)CN[C@@H]2CCCC[C@H]2NC(=O)CC(N)=O)c1 ZINC001225508159 1225814343 /nfs/dbraw/zinc/81/43/43/1225814343.db2.gz CJBPIPZNUVNRMJ-HZPDHXFCSA-N 0 3 356.426 0.499 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn(C)cn1 ZINC001225662657 1225818632 /nfs/dbraw/zinc/81/86/32/1225818632.db2.gz UPYSICAROYKDMD-CHWSQXEVSA-N 0 3 362.434 0.063 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccn(C)c1 ZINC001225648779 1225818418 /nfs/dbraw/zinc/81/84/18/1225818418.db2.gz WVDPXZOVWXXZBI-HUUCEWRRSA-N 0 3 361.446 0.668 20 30 FCEDHN CN(C)[C@H](C(=O)N1C[C@H]2CCN(c3cnc(C#N)cn3)C[C@H]2C1)C1CC1 ZINC001049528460 1218474111 /nfs/dbraw/zinc/47/41/11/1218474111.db2.gz JOBZQSSIOYLATG-VKJFTORMSA-N 0 3 354.458 0.973 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](CC)N(C)C)C1 ZINC001049578151 1218493665 /nfs/dbraw/zinc/49/36/65/1218493665.db2.gz OPPFSCJYZSOKAU-XAJHFOFHSA-N 0 3 367.490 0.338 20 30 FCEDHN C#CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N[C@H](C)CCC ZINC001225795171 1225824625 /nfs/dbraw/zinc/82/46/25/1225824625.db2.gz CLIOJMMMYPYFHV-BZUAXINKSA-N 0 3 364.490 0.448 20 30 FCEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NCCC ZINC001225947632 1225829555 /nfs/dbraw/zinc/82/95/55/1225829555.db2.gz ZEPFAQIAUFHEMK-LBTNJELSSA-N 0 3 368.478 0.566 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccnn2C)CC1 ZINC001096607655 1218575440 /nfs/dbraw/zinc/57/54/40/1218575440.db2.gz HBLLXUKLCAKQRN-NEWSRXKRSA-N 0 3 355.486 0.987 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)Nc1cnccn1 ZINC001226187967 1225835497 /nfs/dbraw/zinc/83/54/97/1225835497.db2.gz NTGUVYVQMFYQJR-RBSFLKMASA-N 0 3 359.430 0.470 20 30 FCEDHN CN(C)CC#CCNC(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC001226220403 1225836541 /nfs/dbraw/zinc/83/65/41/1225836541.db2.gz XGJKXVUTCDGTPO-SFHVURJKSA-N 0 3 357.414 0.105 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc2c([nH]1)CCOC2 ZINC001226748766 1225853564 /nfs/dbraw/zinc/85/35/64/1225853564.db2.gz NQXMSHMGUBHREF-HUUCEWRRSA-N 0 3 359.430 0.358 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc2cc[nH]c2n1 ZINC001226950734 1225859130 /nfs/dbraw/zinc/85/91/30/1225859130.db2.gz XMXUXFRFJRWFOP-ZIAGYGMSSA-N 0 3 354.414 0.833 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)COCc1cc(C)no1 ZINC001227019325 1225861480 /nfs/dbraw/zinc/86/14/80/1225861480.db2.gz MCXXRLNZVIYZPC-HZPDHXFCSA-N 0 3 364.446 0.819 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1cn2ccccc2n1 ZINC001227107765 1225863608 /nfs/dbraw/zinc/86/36/08/1225863608.db2.gz ZSBCJWKCVIOPQS-HZPDHXFCSA-N 0 3 368.441 0.534 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1 ZINC001227275927 1225869271 /nfs/dbraw/zinc/86/92/71/1225869271.db2.gz MXZVBBLITDAUOY-HUUCEWRRSA-N 0 3 357.414 0.282 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1 ZINC001227286979 1225869633 /nfs/dbraw/zinc/86/96/33/1225869633.db2.gz LNSITUQNOUETEE-DJIMGWMZSA-N 0 3 370.453 0.780 20 30 FCEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@@H]2n2ccnn2)nc1 ZINC001070078483 1219146573 /nfs/dbraw/zinc/14/65/73/1219146573.db2.gz AHQCQQOFNCGZOI-NXHRZFHOSA-N 0 3 366.425 0.346 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(C(C)=O)C1 ZINC001227355588 1225871400 /nfs/dbraw/zinc/87/14/00/1225871400.db2.gz ITOAMSTWKGSQAP-GVDBMIGSSA-N 0 3 364.490 0.564 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H]2CN(CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001070100609 1219175665 /nfs/dbraw/zinc/17/56/65/1219175665.db2.gz YPMWTLZTLKRQAF-IXDOHACOSA-N 0 3 362.478 0.307 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)CN(CC)CC)CCOCC1 ZINC001070125443 1219197136 /nfs/dbraw/zinc/19/71/36/1219197136.db2.gz YCDAJRFJSZBWJD-CVEARBPZSA-N 0 3 367.490 0.701 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1onc2c1CCCC2 ZINC001227474933 1225876030 /nfs/dbraw/zinc/87/60/30/1225876030.db2.gz IWBWNZIHBYPBEJ-HUUCEWRRSA-N 0 3 359.430 0.824 20 30 FCEDHN N#Cc1ccc(C(=O)N2C[C@@H](NCCn3cccn3)[C@@H](n3ccnn3)C2)[nH]1 ZINC001070176658 1219268400 /nfs/dbraw/zinc/26/84/00/1219268400.db2.gz LQPFQKIPUCPGHU-CVEARBPZSA-N 0 3 365.401 0.030 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cnn(CCOC)c2C)C[C@@H]1n1ccnn1 ZINC001070193928 1219286535 /nfs/dbraw/zinc/28/65/35/1219286535.db2.gz YQGJWHCUKWMXSG-CVEARBPZSA-N 0 3 359.434 0.271 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2c3c(nn2C)CCCC3)C[C@@H]1n1ccnn1 ZINC001070203282 1219291828 /nfs/dbraw/zinc/29/18/28/1219291828.db2.gz QIUOUIJGXRNIJE-CVEARBPZSA-N 0 3 355.446 0.732 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2CNC(=O)c3ccccc32)C[C@@H]1n1ccnn1 ZINC001070210696 1219295224 /nfs/dbraw/zinc/29/52/24/1219295224.db2.gz WOPDJVSBBYKQBV-BBWFWOEESA-N 0 3 366.425 0.333 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cncc3ncn(C)c32)C[C@@H]1n1ccnn1 ZINC001070211484 1219295937 /nfs/dbraw/zinc/29/59/37/1219295937.db2.gz JVVDLXKFWWKITO-CABCVRRESA-N 0 3 352.402 0.401 20 30 FCEDHN 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CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cncnc2)CC1 ZINC001070370906 1219401281 /nfs/dbraw/zinc/40/12/81/1219401281.db2.gz RCQNLQBQZPFKCM-AEFFLSMTSA-N 0 3 355.442 0.589 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2nn(C)cc2C)CC1 ZINC001070372061 1219401526 /nfs/dbraw/zinc/40/15/26/1219401526.db2.gz VKPBKDMRVSQISK-APWZRJJASA-N 0 3 371.485 0.841 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCn3cncc3C2)C[C@H]1c1cn(C)cn1 ZINC001070506509 1219444224 /nfs/dbraw/zinc/44/42/24/1219444224.db2.gz DTOIJKHSQYAVKO-UWWQBHOKSA-N 0 3 352.442 0.396 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc3c(n2)OCCO3)C[C@H]1c1cn(C)cn1 ZINC001070508878 1219446168 /nfs/dbraw/zinc/44/61/68/1219446168.db2.gz RGZYQAHDCFZZSX-XJKSGUPXSA-N 0 3 369.425 0.970 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cccc3ncnn32)C[C@H]1c1cn(C)cn1 ZINC001070509612 1219446722 /nfs/dbraw/zinc/44/67/22/1219446722.db2.gz FNDIGMZSRVSJHK-DZGCQCFKSA-N 0 3 351.414 0.847 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@H]1c1cn(C)cn1 ZINC001070510811 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C#CCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C[C@H]1c1cncn1C ZINC001070667017 1219515948 /nfs/dbraw/zinc/51/59/48/1219515948.db2.gz NAECGHGCCQJFMO-BSDSXHPESA-N 0 3 356.470 1.000 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2ccnc(N(C)C)c2)C[C@H]1c1cncn1C ZINC001070696481 1219530020 /nfs/dbraw/zinc/53/00/20/1219530020.db2.gz VMLKCEUCKBKHML-HZPDHXFCSA-N 0 3 352.442 0.712 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cn(CCC=C)nn2)C[C@H]1c1cncn1C ZINC001070700892 1219531598 /nfs/dbraw/zinc/53/15/98/1219531598.db2.gz TZEFDESBXILPMJ-HUUCEWRRSA-N 0 3 353.430 0.419 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cnc3n[nH]c(C)c3c2)C[C@H]1c1cncn1C ZINC001070718979 1219541594 /nfs/dbraw/zinc/54/15/94/1219541594.db2.gz NKLNMVCHRJIDMR-HZPDHXFCSA-N 0 3 363.425 0.831 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@H](C)N2CCCCC2=O)C[C@H]1c1cncn1C ZINC001070720743 1219542663 /nfs/dbraw/zinc/54/26/63/1219542663.db2.gz GUJQETAFPPCYJY-ARFHVFGLSA-N 0 3 357.458 0.338 20 30 FCEDHN O=C(N[C@@H]1CCCC[C@H]1NCC#Cc1ccc(F)cc1)[C@H]1CNC(=O)N1 ZINC001228260494 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ZINC001215608582 1224009472 /nfs/dbraw/zinc/00/94/72/1224009472.db2.gz IMEJFNDILMRWFU-RHSMWYFYSA-N 0 3 361.442 0.813 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2Cc3cc(F)ccc3O2)C[C@H]1C ZINC001215728057 1224013922 /nfs/dbraw/zinc/01/39/22/1224013922.db2.gz KVMJPRFEDBGVMZ-SRCQZFHVSA-N 0 3 361.417 0.868 20 30 FCEDHN Cc1cc(C)n(CCCC(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)n1 ZINC001215722979 1224014112 /nfs/dbraw/zinc/01/41/12/1224014112.db2.gz OVXUUPXFQQLPOM-CZUORRHYSA-N 0 3 360.462 0.356 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ccnc(N(C)C)c2)C[C@H]1C ZINC001215737065 1224014739 /nfs/dbraw/zinc/01/47/39/1224014739.db2.gz JYXWBNAQOHQYPM-IIAWOOMASA-N 0 3 359.474 0.888 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCc2cn(C)nc2C)C[C@H]1C ZINC001215764707 1224016459 /nfs/dbraw/zinc/01/64/59/1224016459.db2.gz YNPZNBMGHCQHBI-FRFSOERESA-N 0 3 361.490 0.788 20 30 FCEDHN C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N[C@@H](C)C3CC3)C2)nn1 ZINC001215833011 1224020411 /nfs/dbraw/zinc/02/04/11/1224020411.db2.gz UQXHARRZIYBZES-VNHYZAJKSA-N 0 3 360.462 0.429 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2oc(CC(C)C)nc2C)C[C@H]1C ZINC001215844603 1224020600 /nfs/dbraw/zinc/02/06/00/1224020600.db2.gz OICDJKSEZFSMSE-UKRRQHHQSA-N 0 3 360.458 0.981 20 30 FCEDHN C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccccc2)C[C@H]1NCC(=O)NCC#N ZINC001215868295 1224021918 /nfs/dbraw/zinc/02/19/18/1224021918.db2.gz AELCCAQPGUSIBL-MYZZLAAOSA-N 0 3 370.453 0.840 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)Cc2c(C)noc2Cl)C[C@H]1C ZINC001215903864 1224023277 /nfs/dbraw/zinc/02/32/77/1224023277.db2.gz GWTWLEDXJDPTCU-ZWNOBZJWSA-N 0 3 354.838 0.918 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc3c(c2)C[C@H](C)O3)C[C@H]1C ZINC001215930314 1224025336 /nfs/dbraw/zinc/02/53/36/1224025336.db2.gz XOYCXNBRZNTPBK-JKIFEVAISA-N 0 3 355.438 0.810 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCOc3ccccc32)C[C@H]1C ZINC001215945599 1224026352 /nfs/dbraw/zinc/02/63/52/1224026352.db2.gz ZRDODRGGBDAMLJ-HYVNUMGLSA-N 0 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C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cc2ccco2)C[C@H]1C ZINC001216020303 1224030595 /nfs/dbraw/zinc/03/05/95/1224030595.db2.gz QQGDHTOWGURZRD-VNHYZAJKSA-N 0 3 362.430 0.659 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)c2cn(CC)nn2)C[C@H]1C ZINC001216119011 1224035274 /nfs/dbraw/zinc/03/52/74/1224035274.db2.gz XZIRDRHSPSROSK-ZIAGYGMSSA-N 0 3 361.450 0.110 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2nnn(C(C)C)c2C)C[C@H]1C ZINC001216124819 1224035426 /nfs/dbraw/zinc/03/54/26/1224035426.db2.gz HFQWEOMNYQQKNK-VNHYZAJKSA-N 0 3 362.478 0.908 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2coc(CC3CC3)n2)C[C@H]1C ZINC001216133339 1224036199 /nfs/dbraw/zinc/03/61/99/1224036199.db2.gz ZDIUEXCZIOPJSG-UMVBOHGHSA-N 0 3 358.442 0.815 20 30 FCEDHN C[C@@H]1CN(C(=O)c2nc3ccccn3c2F)C[C@H]1NCC(=O)NCC#N ZINC001216205555 1224039018 /nfs/dbraw/zinc/03/90/18/1224039018.db2.gz WAZLLENAGAQFCK-VXGBXAGGSA-N 0 3 358.377 0.163 20 30 FCEDHN CC[C@H](C)n1ncc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)c1C ZINC001216306757 1224043494 /nfs/dbraw/zinc/04/34/94/1224043494.db2.gz SDRHUOHRMWCOGE-DVOMOZLQSA-N 0 3 360.462 0.852 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCCOCCOCC)C[C@H]1C ZINC001216388340 1224048253 /nfs/dbraw/zinc/04/82/53/1224048253.db2.gz OCBOEJQDXOUFBN-BRWVUGGUSA-N 0 3 369.506 0.947 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2c(OC)cc[nH]c2=O)C[C@H]1C ZINC001216410062 1224049297 /nfs/dbraw/zinc/04/92/97/1224049297.db2.gz PYPSSEZRPZVPJS-FRRDWIJNSA-N 0 3 362.430 0.537 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCCOCC)C2)cn1 ZINC001216448142 1224051618 /nfs/dbraw/zinc/05/16/18/1224051618.db2.gz HGZNUWDOCLCUDL-RHSMWYFYSA-N 0 3 358.442 0.266 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(NC(C)=O)cc2)C[C@H]1C ZINC001216531228 1224054699 /nfs/dbraw/zinc/05/46/99/1224054699.db2.gz XDDSIOAFMWTNJG-CXAGYDPISA-N 0 3 358.442 0.997 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cnc(C)nc2C2CC2)C[C@H]1C ZINC001216630493 1224059513 /nfs/dbraw/zinc/05/95/13/1224059513.db2.gz HJWTZPHQMCFOCM-MLGOLLRUSA-N 0 3 355.442 0.462 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(F)cc2)C[C@H]1C ZINC001216715610 1224063566 /nfs/dbraw/zinc/06/35/66/1224063566.db2.gz KALMOHHVVFLHNG-JKIFEVAISA-N 0 3 361.417 0.779 20 30 FCEDHN Cc1cccc2nc(C(=O)N3C[C@@H](C)[C@H](NCC(=O)NCC#N)C3)cn21 ZINC001216724631 1224064819 /nfs/dbraw/zinc/06/48/19/1224064819.db2.gz GWGWXMRHJOZYNS-TZMCWYRMSA-N 0 3 354.414 0.333 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC001216733498 1224066075 /nfs/dbraw/zinc/06/60/75/1224066075.db2.gz SNRBBKDOVKGFQL-DNVCBOLYSA-N 0 3 353.466 0.904 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)COc2cccc(F)c2)C[C@H]1C ZINC001216739619 1224066606 /nfs/dbraw/zinc/06/66/06/1224066606.db2.gz BSLHLCKROOMUQO-JKIFEVAISA-N 0 3 361.417 0.779 20 30 FCEDHN COc1ccccc1OCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1 ZINC001216738704 1224066775 /nfs/dbraw/zinc/06/67/75/1224066775.db2.gz ULDFMUWAFHMITF-ZIAGYGMSSA-N 0 3 360.414 0.150 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)COc2ccc(C)c(C)c2)C[C@H]1C ZINC001216742455 1224067237 /nfs/dbraw/zinc/06/72/37/1224067237.db2.gz AICGUQMYFFRBIN-SJLPKXTDSA-N 0 3 357.454 0.868 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCCc2nc(C)no2)C[C@H]1C ZINC001216748815 1224067693 /nfs/dbraw/zinc/06/76/93/1224067693.db2.gz XNDLQAZYUCDXLV-VNHYZAJKSA-N 0 3 363.462 0.828 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCC3)C[C@H]1C ZINC001216755784 1224068787 /nfs/dbraw/zinc/06/87/87/1224068787.db2.gz DBXIKTSMZWFVRK-MLGOLLRUSA-N 0 3 356.426 0.075 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)CN2CCc3ccccc32)C[C@H]1C ZINC001216780356 1224071327 /nfs/dbraw/zinc/07/13/27/1224071327.db2.gz HNYTVRDQYCRFCI-NVXWUHKLSA-N 0 3 354.454 0.235 20 30 FCEDHN Cc1cc2nc(C)cc(C(=O)N3C[C@@H](C)[C@H](NCC(=O)NCC#N)C3)n2n1 ZINC001216784141 1224071452 /nfs/dbraw/zinc/07/14/52/1224071452.db2.gz CWCLOEHUSCVPRD-BXUZGUMPSA-N 0 3 369.429 0.036 20 30 FCEDHN C=CCN1CC[C@H](N[C@@H]2CN(C(=O)CCCn3cccn3)C[C@H]2C)C1=O ZINC001216785927 1224071855 /nfs/dbraw/zinc/07/18/55/1224071855.db2.gz NZWMYLPBGKXEGI-IXDOHACOSA-N 0 3 359.474 0.887 20 30 FCEDHN Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1 ZINC001216789690 1224072053 /nfs/dbraw/zinc/07/20/53/1224072053.db2.gz KQVKSXFVSIHOLV-XHBSWPGZSA-N 0 3 360.462 0.281 20 30 FCEDHN Cc1n[nH]c(C)c1C[C@H](C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1 ZINC001216789689 1224072086 /nfs/dbraw/zinc/07/20/86/1224072086.db2.gz KQVKSXFVSIHOLV-HWWQOWPSSA-N 0 3 360.462 0.281 20 30 FCEDHN CO[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1 ZINC001216791889 1224072635 /nfs/dbraw/zinc/07/26/35/1224072635.db2.gz UBUFTAVCPBHBSP-DJIMGWMZSA-N 0 3 358.442 0.320 20 30 FCEDHN C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(C)C)C1 ZINC001216846594 1224078565 /nfs/dbraw/zinc/07/85/65/1224078565.db2.gz NPNHGMPUQYGKKD-ZIAGYGMSSA-N 0 3 367.494 0.211 20 30 FCEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)COCCOCC)C[C@H]1C ZINC001216857195 1224079280 /nfs/dbraw/zinc/07/92/80/1224079280.db2.gz HPPZMXLTQCVYOV-IAGOWNOFSA-N 0 3 369.506 0.901 20 30 FCEDHN C#CCC1(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C2)CCCCC1 ZINC001216894751 1224080868 /nfs/dbraw/zinc/08/08/68/1224080868.db2.gz YPRLJTHUBWJLOD-RBSFLKMASA-N 0 3 362.474 0.980 20 30 FCEDHN C=CCCOCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001216936657 1224081825 /nfs/dbraw/zinc/08/18/25/1224081825.db2.gz SBBWMYRZHKLPGY-VNHYZAJKSA-N 0 3 366.462 0.392 20 30 FCEDHN C[C@@H]1CN(C(=O)c2c[nH]c3ccc(F)cc23)C[C@H]1NCC(=O)NCC#N ZINC001217077459 1224088064 /nfs/dbraw/zinc/08/80/64/1224088064.db2.gz PUEIZWHBIJTSOP-BDJLRTHQSA-N 0 3 357.389 0.997 20 30 FCEDHN Cc1cccc(C)c1NC(=O)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1 ZINC001217092696 1224089038 /nfs/dbraw/zinc/08/90/38/1224089038.db2.gz GPWCLTJIRPCVRK-HUUCEWRRSA-N 0 3 371.441 0.318 20 30 FCEDHN Cc1cccc2c1O[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1)C2 ZINC001217133790 1224090979 /nfs/dbraw/zinc/09/09/79/1224090979.db2.gz XHTJXHAGDAEZHB-FVQBIDKESA-N 0 3 356.426 0.375 20 30 FCEDHN Cn1cc(C(=O)C(C#N)c2nc(N)c3ccccc3n2)c(=O)n(C)c1=O ZINC001515082501 1265421596 /nfs/dbraw/zinc/42/15/96/1265421596.db2.gz MROATDWFPRPPJG-SNVBAGLBSA-N 0 3 350.338 0.099 20 30 FCEDHN COCCNC(=O)C(C#N)C(=O)COc1cccc(NC(=O)C2CC2)c1 ZINC000916891379 1245543548 /nfs/dbraw/zinc/54/35/48/1245543548.db2.gz VOXXWNQRDMXDHW-OAHLLOKOSA-N 0 3 359.382 0.885 20 30 FCEDHN C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)C(C#N)C(=O)NC2CC2)C1=O ZINC000916926619 1245546002 /nfs/dbraw/zinc/54/60/02/1245546002.db2.gz NVKPQQVAEHYTRB-SCLBCKFNSA-N 0 3 372.356 0.580 20 30 FCEDHN CC(C)NC(=O)C(C#N)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O ZINC000916945629 1245546213 /nfs/dbraw/zinc/54/62/13/1245546213.db2.gz TZIUQWOKHCTHGW-SCLBCKFNSA-N 0 3 374.372 0.826 20 30 FCEDHN CCn1c(=O)c2ccccc2n(CC(=O)C(C#N)C(=O)NC2CC2)c1=O ZINC000916930661 1245546296 /nfs/dbraw/zinc/54/62/96/1245546296.db2.gz GHQLZALGPSTDNZ-ZDUSSCGKSA-N 0 3 354.366 0.171 20 30 FCEDHN COCCCNC(=O)C(C#N)C(=O)Cc1nnn(-c2ccccc2)c1C ZINC000920323911 1245619662 /nfs/dbraw/zinc/61/96/62/1245619662.db2.gz IKBKNSAPOXIFFD-HNNXBMFYSA-N 0 3 355.398 0.980 20 30 FCEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC[C@@H](N2CCNCC2=O)C1 ZINC000923332538 1245709493 /nfs/dbraw/zinc/70/94/93/1245709493.db2.gz KQAZUGOGOKZCHR-IAGOWNOFSA-N 0 3 358.442 0.194 20 30 FCEDHN C#CCN1CCC(C(=O)NC[C@@H]2CN(C(=O)c3cnco3)C[C@H]2C)CC1 ZINC000994134921 1250212457 /nfs/dbraw/zinc/21/24/57/1250212457.db2.gz GGXNTSRYOFXXNZ-GDBMZVCRSA-N 0 3 358.442 0.844 20 30 FCEDHN C#CCN1CCC(C(=O)NC[C@@H]2CN(C(=O)c3ccon3)C[C@H]2C)CC1 ZINC000994135795 1250213891 /nfs/dbraw/zinc/21/38/91/1250213891.db2.gz LHNWSZGJLSXUHW-GDBMZVCRSA-N 0 3 358.442 0.844 20 30 FCEDHN C#CCN1CCC(C(=O)NC[C@@H]2CN(C(=O)Cc3cnc[nH]3)C[C@H]2C)CC1 ZINC000994140606 1250217355 /nfs/dbraw/zinc/21/73/55/1250217355.db2.gz PQECSXSAYNPQLA-NVXWUHKLSA-N 0 3 371.485 0.508 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)c3cc[nH]c3)C[C@H]2OC)CC1 ZINC000942127829 1246992326 /nfs/dbraw/zinc/99/23/26/1246992326.db2.gz BFNUCISFWXYACA-IAGOWNOFSA-N 0 3 358.442 0.316 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC3(F)F)C[C@H]2OC)CC1 ZINC000942128295 1246993914 /nfs/dbraw/zinc/99/39/14/1246993914.db2.gz JWOVWRHYPFDTBA-RBSFLKMASA-N 0 3 369.412 0.329 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C3CC3)C[C@H]2OC)CC1 ZINC000942129256 1246994438 /nfs/dbraw/zinc/99/44/38/1246994438.db2.gz XFPBCJABDGNGTO-ZTFGCOKTSA-N 0 3 361.486 0.720 20 30 FCEDHN C=CCN1CC[C@H](NCC2(O)CCN(C(=O)[C@]34C[C@H]3CCC4)CC2)C1=O ZINC000946926067 1248080327 /nfs/dbraw/zinc/08/03/27/1248080327.db2.gz XVLVWPMDDKRSSH-GQIGUUNPSA-N 0 3 361.486 0.907 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]21 ZINC000976592249 1248264871 /nfs/dbraw/zinc/26/48/71/1248264871.db2.gz NYODXYGCTCXLFV-VMENWCDDSA-N 0 3 361.486 0.882 20 30 FCEDHN CCN1CCN([C@@H](C)Cn2c(C3CC3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001515900111 1265529186 /nfs/dbraw/zinc/52/91/86/1265529186.db2.gz CIQBSHXXCQRJDW-DOTOQJQBSA-N 0 3 373.505 0.910 20 30 FCEDHN C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CN(C)C2CCC2)nn1 ZINC000996514303 1251368607 /nfs/dbraw/zinc/36/86/07/1251368607.db2.gz QMTFTTHJSZDAPE-VYDXJSESSA-N 0 3 372.473 0.810 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ncn(C)n2)CC1 ZINC000997357351 1251558839 /nfs/dbraw/zinc/55/88/39/1251558839.db2.gz KJRVECQVEHZBQP-PMPSAXMXSA-N 0 3 370.457 0.022 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cccnn2)CC1 ZINC000997357288 1251560028 /nfs/dbraw/zinc/56/00/28/1251560028.db2.gz JMSZCFIBCCCVJL-NJAFHUGGSA-N 0 3 367.453 0.684 20 30 FCEDHN C#CCN1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2ccnc2)C3)CC1 ZINC000997885748 1251735602 /nfs/dbraw/zinc/73/56/02/1251735602.db2.gz JJCOJIVYGZBYIL-SQNIBIBYSA-N 0 3 369.469 0.476 20 30 FCEDHN C=CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)nn2)C1 ZINC000999999836 1252270012 /nfs/dbraw/zinc/27/00/12/1252270012.db2.gz GCBHGLWRKYLYKC-PQEBFOHHSA-N 0 3 361.446 0.379 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2n[nH]nc2C)CC1 ZINC001003363172 1252874255 /nfs/dbraw/zinc/87/42/55/1252874255.db2.gz MZQWZJODGDNPFN-OAGGEKHMSA-N 0 3 370.457 0.320 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cnsn2)CC1 ZINC001003362952 1252874948 /nfs/dbraw/zinc/87/49/48/1252874948.db2.gz IXCGHXJCZJZQMK-FMKPAKJESA-N 0 3 373.482 0.745 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CCCO2)CC1 ZINC001003362701 1252875216 /nfs/dbraw/zinc/87/52/16/1252875216.db2.gz FMFFVVJDENUQMR-ZJPYXAASSA-N 0 3 359.470 0.759 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cnon2)CC1 ZINC001003364943 1252877115 /nfs/dbraw/zinc/87/71/15/1252877115.db2.gz FHIZMYZYOIOJIQ-FMKPAKJESA-N 0 3 357.414 0.277 20 30 FCEDHN C#CCN1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2ccnc2)C3)CC1 ZINC001003752772 1253093085 /nfs/dbraw/zinc/09/30/85/1253093085.db2.gz JJCOJIVYGZBYIL-KURKYZTESA-N 0 3 369.469 0.476 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1COCCN1C(=O)CN(CC)CC ZINC001061618082 1254192868 /nfs/dbraw/zinc/19/28/68/1254192868.db2.gz VPNLYAQEDPFTSM-RYRKJORJSA-N 0 3 367.490 0.653 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1COCCN1C(=O)CN(C)C(C)C ZINC001061620800 1254193531 /nfs/dbraw/zinc/19/35/31/1254193531.db2.gz HIFKPNFKOQRSQN-ZACQAIPSSA-N 0 3 367.490 0.651 20 30 FCEDHN N#CCOc1ccc(CN2C[C@@H]3CCN(C(=O)Cn4ncnn4)[C@@H]3C2)cc1 ZINC001075796747 1254620235 /nfs/dbraw/zinc/62/02/35/1254620235.db2.gz AVLUWKNMBGYRTC-DOTOQJQBSA-N 0 3 367.413 0.308 20 30 FCEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 ZINC001077668512 1254848077 /nfs/dbraw/zinc/84/80/77/1254848077.db2.gz CMJLOXAGNFGIIF-WCXIOVBPSA-N 0 3 365.474 0.284 20 30 FCEDHN C#CCn1ccc(CN(CC)C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)n1 ZINC001330026122 1265929185 /nfs/dbraw/zinc/92/91/85/1265929185.db2.gz IBOPMMFLJQTGPQ-QZTJIDSGSA-N 0 3 371.485 0.998 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(Cc3c(C)noc3C)C[C@H]2O)CC1 ZINC001078227311 1255339826 /nfs/dbraw/zinc/33/98/26/1255339826.db2.gz UMUCZPAGBQMBQG-QZTJIDSGSA-N 0 3 360.458 0.298 20 30 FCEDHN C=CCCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001079146497 1255458740 /nfs/dbraw/zinc/45/87/40/1255458740.db2.gz PYJQNKVWPBWIMK-RCCFBDPRSA-N 0 3 357.454 0.915 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)CN2CN=NC2=O)CC[C@H]1c1ccc(F)cc1 ZINC001079150218 1255460628 /nfs/dbraw/zinc/46/06/28/1255460628.db2.gz HVGHMXAACYCNTC-JKSUJKDBSA-N 0 3 357.389 0.730 20 30 FCEDHN C#CCN1CCC2(CN(C(=O)c3ccnc4ccnn43)[C@@H]3COC[C@@H]32)CC1 ZINC001079245076 1255485578 /nfs/dbraw/zinc/48/55/78/1255485578.db2.gz WACYEBRLBSVHIM-DOTOQJQBSA-N 0 3 365.437 0.916 20 30 FCEDHN C#CCN1CCC2(CN(C(=O)c3ccc4nnnn4c3)[C@@H]3COC[C@@H]32)CC1 ZINC001079251432 1255488073 /nfs/dbraw/zinc/48/80/73/1255488073.db2.gz XESOKDVVKYPASV-JKSUJKDBSA-N 0 3 366.425 0.311 20 30 FCEDHN C=CCN1CCC2(CN(C(=O)c3cncc(C(N)=O)c3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273925 1255497989 /nfs/dbraw/zinc/49/79/89/1255497989.db2.gz XBQKXADIERLCLK-DLBZAZTESA-N 0 3 370.453 0.920 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(Cc3ccc(OC)nn3)C[C@H]2C)CC1 ZINC001080997450 1256131719 /nfs/dbraw/zinc/13/17/19/1256131719.db2.gz DMUKJDIZPMDJNM-CRAIPNDOSA-N 0 3 371.485 0.767 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN([C@@H](C)c3nnnn3C)C[C@H]2C)CC1 ZINC001080997397 1256131815 /nfs/dbraw/zinc/13/18/15/1256131815.db2.gz BOAMKCPYRMIYMV-IJEWVQPXSA-N 0 3 359.478 0.053 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1c1ccccc1 ZINC001081221981 1256209584 /nfs/dbraw/zinc/20/95/84/1256209584.db2.gz FSACRIRZFAHQFV-JKSUJKDBSA-N 0 3 354.410 0.098 20 30 FCEDHN C=CCCn1cc(C(=O)N[C@@H]2CN(CC[C@H]3CCCO3)C[C@H]2OC)nn1 ZINC001082218810 1256595270 /nfs/dbraw/zinc/59/52/70/1256595270.db2.gz FNIAPKRQLPORGW-BFYDXBDKSA-N 0 3 363.462 0.852 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cn(C[C@@H]3CCOC3)nn2)[C@H](OC)C1 ZINC001082281358 1256630320 /nfs/dbraw/zinc/63/03/20/1256630320.db2.gz GHQUDEXZODABHQ-ZMSDIMECSA-N 0 3 363.462 0.710 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(Cc3nccnc3C)C[C@H]2OC)CC1 ZINC001082384365 1256735370 /nfs/dbraw/zinc/73/53/70/1256735370.db2.gz RJEWIFNSDMCXFZ-RTBURBONSA-N 0 3 371.485 0.446 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(CCOC3CCC3)C[C@H]2OC)CC1 ZINC001082384438 1256737092 /nfs/dbraw/zinc/73/70/92/1256737092.db2.gz WIAUFJJULPDQJN-RTBURBONSA-N 0 3 363.502 0.716 20 30 FCEDHN C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NCc1cc(=O)n2nccc2[nH]1 ZINC001082464826 1256772387 /nfs/dbraw/zinc/77/23/87/1256772387.db2.gz JDQUXZXZERMCCV-IAQYHMDHSA-N 0 3 365.397 0.473 20 30 FCEDHN C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NCC(=O)N1CCO[C@H](C)C1 ZINC001082480248 1256776565 /nfs/dbraw/zinc/77/65/65/1256776565.db2.gz RMMGABGKZHMZPH-XJKCOSOUSA-N 0 3 359.430 0.184 20 30 FCEDHN C[C@@H]1CN(C(=O)[C@@H]2COCCN2C)C[C@H]1NCc1ccc(C#N)c(F)c1 ZINC001082483392 1256779137 /nfs/dbraw/zinc/77/91/37/1256779137.db2.gz ZPBLSTLFDZPXBD-XWIAVFTESA-N 0 3 360.433 0.964 20 30 FCEDHN N#Cc1ccc(CNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)cc1F ZINC001330617889 1266072781 /nfs/dbraw/zinc/07/27/81/1266072781.db2.gz RUWSLNBYTVTOOC-INIZCTEOSA-N 0 3 374.416 0.683 20 30 FCEDHN C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)CCc3ncccn3)C[C@H]2C)C1=O ZINC001082816687 1257076477 /nfs/dbraw/zinc/07/64/77/1257076477.db2.gz RKGQAWQRUIJMPP-BZUAXINKSA-N 0 3 357.458 0.633 20 30 FCEDHN C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)c3cnc(OC)nc3)C[C@H]2C)C1=O ZINC001082838459 1257093258 /nfs/dbraw/zinc/09/32/58/1257093258.db2.gz VHRWDIAVXIYXCA-BPLDGKMQSA-N 0 3 359.430 0.322 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NCc2nnnn2-c2ccccc2)CC1 ZINC001330755663 1266090430 /nfs/dbraw/zinc/09/04/30/1266090430.db2.gz KWLMJLKPZXKBRR-UHFFFAOYSA-N 0 3 369.429 0.045 20 30 FCEDHN C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(C)n2)C1 ZINC001082869187 1257117467 /nfs/dbraw/zinc/11/74/67/1257117467.db2.gz WTYYJAFZNFIQPQ-IUODEOHRSA-N 0 3 354.414 0.770 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCO[C@@H](C)C3)C2)nc1 ZINC001082870268 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Cc1cc(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)ncc1C#N ZINC001327620051 1265376827 /nfs/dbraw/zinc/37/68/27/1265376827.db2.gz ZQZGXPNLAOBPMS-CQSZACIVSA-N 0 3 358.446 0.342 20 30 FCEDHN C=CCN1CCC(NC(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)CC1 ZINC001332650466 1266452114 /nfs/dbraw/zinc/45/21/14/1266452114.db2.gz QRZZEDHTCIUDFT-UHFFFAOYSA-N 0 3 361.450 0.374 20 30 FCEDHN COCCn1c(CCCC#N)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001523442102 1266630652 /nfs/dbraw/zinc/63/06/52/1266630652.db2.gz OWSFEJOZMYEMKY-MRXNPFEDSA-N 0 3 362.478 0.929 20 30 FCEDHN C=CCn1c([C@H]2CC=NO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001338920517 1268121459 /nfs/dbraw/zinc/12/14/59/1268121459.db2.gz GCAMZOJBZZABJT-LSDHHAIUSA-N 0 3 373.461 0.654 20 30 FCEDHN C=CCn1c(C[C@H](O)CC#N)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001338944661 1268126200 /nfs/dbraw/zinc/12/62/00/1268126200.db2.gz MZCIPFGLCKGMEC-HZPDHXFCSA-N 0 3 360.462 0.440 20 30 FCEDHN C#CCN1CCC[C@H]1c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C ZINC001339600993 1268279420 /nfs/dbraw/zinc/27/94/20/1268279420.db2.gz ZBCWFMJXDJIJOE-IRXDYDNUSA-N 0 3 358.490 0.744 20 30 FCEDHN CN1CCN(CCNC(=O)C(=O)NCc2ccc(C#N)cc2)CC1(C)C ZINC001341414897 1268982004 /nfs/dbraw/zinc/98/20/04/1268982004.db2.gz PJUXTKYVDGEGFM-UHFFFAOYSA-N 0 3 357.458 0.317 20 30 FCEDHN C=C(C)Cn1c([C@@H](O)COC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001341713390 1269164576 /nfs/dbraw/zinc/16/45/76/1269164576.db2.gz TYKPKEJHOBCFTE-HOTGVXAUSA-N 0 3 365.478 0.693 20 30 FCEDHN C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001342355736 1269440846 /nfs/dbraw/zinc/44/08/46/1269440846.db2.gz SQEVPVHMAKBSQV-LSDHHAIUSA-N 0 3 362.478 0.615 20 30 FCEDHN C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001342355734 1269441303 /nfs/dbraw/zinc/44/13/03/1269441303.db2.gz SQEVPVHMAKBSQV-GJZGRUSLSA-N 0 3 362.478 0.615 20 30 FCEDHN C=CCn1c(N2CCN(C(=O)CN(CC)CC)CC2)nnc1C(C)(C)O ZINC001342367731 1269445230 /nfs/dbraw/zinc/44/52/30/1269445230.db2.gz PVWICGCJGPDHGJ-UHFFFAOYSA-N 0 3 364.494 0.682 20 30 FCEDHN C=C(C)Cn1c(-c2ncnn2C)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001342469667 1269482773 /nfs/dbraw/zinc/48/27/73/1269482773.db2.gz YUNXBONQGXNTQJ-OAHLLOKOSA-N 0 3 372.477 0.808 20 30 FCEDHN COCCn1c([C@@H]2C[C@H]2C#N)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001342834058 1269633279 /nfs/dbraw/zinc/63/32/79/1269633279.db2.gz VYGGAZPWXUTSHQ-HRCADAONSA-N 0 3 360.462 0.710 20 30 FCEDHN CCN(CC)[C@H](CNC(=O)C(=O)N1CCO[C@H](C#N)C1)c1ccccc1 ZINC001344840199 1270255407 /nfs/dbraw/zinc/25/54/07/1270255407.db2.gz CKRHIKBBUDYUMX-IAGOWNOFSA-N 0 3 358.442 0.937 20 30 FCEDHN C#CCCCC(=O)N1CC2(C1)CCN(CC(=O)NCc1c[nH]nn1)CC2 ZINC001574850650 1271599182 /nfs/dbraw/zinc/59/91/82/1271599182.db2.gz SDAWKWLUVLIVCS-UHFFFAOYSA-N 0 3 358.446 0.149 20 30 FCEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(C(=O)OCC)([S@](C)=O)CC1 ZINC001574852157 1271601093 /nfs/dbraw/zinc/60/10/93/1271601093.db2.gz QBLWBUFFXPMNOE-XFNZEKPQSA-N 0 3 350.868 0.759 20 30 FCEDHN C#CCN(C(=O)c1ccc(=O)[nH]n1)C1CCN(CCc2cn[nH]n2)CC1 ZINC001574928144 1271680194 /nfs/dbraw/zinc/68/01/94/1271680194.db2.gz HZFUJNKGPBDLFD-UHFFFAOYSA-N 0 3 355.402 0.083 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)c1ccc(-c2c[nH]nn2)cc1 ZINC001574986232 1271689032 /nfs/dbraw/zinc/68/90/32/1271689032.db2.gz WQZQBQRNYQVSEB-UONOGXRCSA-N 0 3 368.441 0.660 20 30 FCEDHN C#CCNC(=O)CN[C@H]1CCCN(C(=O)c2ccc(-c3c[nH]nn3)cc2)C1 ZINC001575004721 1271690519 /nfs/dbraw/zinc/69/05/19/1271690519.db2.gz JXZMUWSXWWURDY-INIZCTEOSA-N 0 3 366.425 0.415 20 30 FCEDHN C#CCNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)c1ccc(-c2c[nH]nn2)cc1 ZINC001575004207 1271691435 /nfs/dbraw/zinc/69/14/35/1271691435.db2.gz BDPXSNDCZGMLDQ-KBPBESRZSA-N 0 3 368.441 0.660 20 30 FCEDHN C=C(C)CN1CC(N2CCN(C(=O)[C@@H]3CCCN3Cc3c[nH]nn3)CC2)C1 ZINC001575049249 1271699861 /nfs/dbraw/zinc/69/98/61/1271699861.db2.gz ZOASFDCDEWZAMO-SFHVURJKSA-N 0 3 373.505 0.174 20 30 FCEDHN C=CCN1CC[C@H](N[C@H](C)CNC(=O)c2ccc(-c3c[nH]nn3)cn2)C1=O ZINC001575103396 1271719352 /nfs/dbraw/zinc/71/93/52/1271719352.db2.gz BJQFKDCEUUFGED-DOMZBBRYSA-N 0 3 369.429 0.362 20 30 FCEDHN CC#CCN[C@]1(CO)CCCN(C(=O)c2ccc(-c3cn[nH]n3)nc2)C1 ZINC001575122286 1271733103 /nfs/dbraw/zinc/73/31/03/1271733103.db2.gz DYBJUOAIJPIWMT-GOSISDBHSA-N 0 3 354.414 0.447 20 30 FCEDHN COCC#CCN1C[C@@H]2CN(C(=O)CCCCCc3c[nH]nn3)C[C@@H]2C1 ZINC001576952287 1273971105 /nfs/dbraw/zinc/97/11/05/1273971105.db2.gz GCOPWVOPXQHXHS-CALCHBBNSA-N 0 3 359.474 0.948 20 30 FCEDHN N#Cc1cccc(CN2C[C@@H](NC(=O)CCCc3cnn[nH]3)[C@@H](O)C2)c1 ZINC001577717860 1274778440 /nfs/dbraw/zinc/77/84/40/1274778440.db2.gz QYBYLRVIQANAFS-SJORKVTESA-N 0 3 354.414 0.361 20 30 FCEDHN COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H](C)C#N ZINC001712424199 1287240899 /nfs/dbraw/zinc/24/08/99/1287240899.db2.gz BHEZDANEZGRCGO-KBPBESRZSA-N 0 3 363.466 0.403 20 30 FCEDHN N#CCCN(C(=O)CCC(=O)N[C@@H]1COC2(CNC2)C1)c1ccccc1 ZINC001580051663 1277998289 /nfs/dbraw/zinc/99/82/89/1277998289.db2.gz NVKZARPPYSUCTE-HNNXBMFYSA-N 0 3 356.426 0.961 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588351097 1282446319 /nfs/dbraw/zinc/44/63/19/1282446319.db2.gz DRBWHNTYKLBPLQ-CJNGLKHVSA-N 0 3 368.445 0.006 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588355006 1282451034 /nfs/dbraw/zinc/45/10/34/1282451034.db2.gz CAHZTIADSBICLE-AWEZNQCLSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588355006 1282451035 /nfs/dbraw/zinc/45/10/35/1282451035.db2.gz CAHZTIADSBICLE-AWEZNQCLSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588355539 1282455910 /nfs/dbraw/zinc/45/59/10/1282455910.db2.gz JJIGWHSCKZODAW-ZBFHGGJFSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001588355539 1282455916 /nfs/dbraw/zinc/45/59/16/1282455916.db2.gz JJIGWHSCKZODAW-ZBFHGGJFSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001588356331 1282459712 /nfs/dbraw/zinc/45/97/12/1282459712.db2.gz WEHJPARVVVOUBK-CHWSQXEVSA-N 0 3 374.420 0.886 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001588356331 1282459717 /nfs/dbraw/zinc/45/97/17/1282459717.db2.gz WEHJPARVVVOUBK-CHWSQXEVSA-N 0 3 374.420 0.886 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001588356635 1282461790 /nfs/dbraw/zinc/46/17/90/1282461790.db2.gz YUZNZMWXUBUMRL-TZMCWYRMSA-N 0 3 372.404 0.735 20 30 FCEDHN C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001588357175 1282463778 /nfs/dbraw/zinc/46/37/78/1282463778.db2.gz IWJJSCMNODZGAN-CJNGLKHVSA-N 0 3 369.429 0.427 20 30 FCEDHN C#CCO[C@H](C)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588357218 1282464707 /nfs/dbraw/zinc/46/47/07/1282464707.db2.gz JEHQMDOTRTTXFG-QWHCGFSZSA-N 0 3 374.420 0.981 20 30 FCEDHN C#CCO[C@H](C)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588357218 1282464716 /nfs/dbraw/zinc/46/47/16/1282464716.db2.gz JEHQMDOTRTTXFG-QWHCGFSZSA-N 0 3 374.420 0.981 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588359162 1282472574 /nfs/dbraw/zinc/47/25/74/1282472574.db2.gz YYAMPLWAEAJKAL-GDBMZVCRSA-N 0 3 368.441 0.843 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588359162 1282472577 /nfs/dbraw/zinc/47/25/77/1282472577.db2.gz YYAMPLWAEAJKAL-GDBMZVCRSA-N 0 3 368.441 0.843 20 30 FCEDHN C#CCOCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588362801 1282489466 /nfs/dbraw/zinc/48/94/66/1282489466.db2.gz UWVKETNOQODOEA-WKILWMFISA-N 0 3 354.414 0.643 20 30 FCEDHN C#CCOCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588362801 1282489475 /nfs/dbraw/zinc/48/94/75/1282489475.db2.gz UWVKETNOQODOEA-WKILWMFISA-N 0 3 354.414 0.643 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)NC[C@@H](C)NCc1cc(-c2nn[nH]n2)ccc1OC ZINC001588500853 1282534872 /nfs/dbraw/zinc/53/48/72/1282534872.db2.gz FNXDZIJRTKEIGD-KZULUSFZSA-N 0 3 374.445 0.797 20 30 FCEDHN C=C[C@](C)(O)CC(=O)NCCC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588503698 1282543844 /nfs/dbraw/zinc/54/38/44/1282543844.db2.gz DJMMROLHQZJWFB-KRWDZBQOSA-N 0 3 362.409 0.929 20 30 FCEDHN C=C[C@](C)(O)CC(=O)NCCC[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588503698 1282543851 /nfs/dbraw/zinc/54/38/51/1282543851.db2.gz DJMMROLHQZJWFB-KRWDZBQOSA-N 0 3 362.409 0.929 20 30 FCEDHN C=CCCC[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCO1 ZINC001588600448 1282582753 /nfs/dbraw/zinc/58/27/53/1282582753.db2.gz BLFNHTPNTXRMMN-AWEZNQCLSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCCC[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCO1 ZINC001588600448 1282582760 /nfs/dbraw/zinc/58/27/60/1282582760.db2.gz BLFNHTPNTXRMMN-AWEZNQCLSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCN1CC[C@H]([NH2+][C@@H](C)CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1=O ZINC001588657613 1282608758 /nfs/dbraw/zinc/60/87/58/1282608758.db2.gz RHNATYBZAKZCFB-AAEUAGOBSA-N 0 3 372.433 0.080 20 30 FCEDHN C=CCN1CC[C@H]([NH2+][C@@H](C)CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1=O ZINC001588657613 1282608764 /nfs/dbraw/zinc/60/87/64/1282608764.db2.gz RHNATYBZAKZCFB-AAEUAGOBSA-N 0 3 372.433 0.080 20 30 FCEDHN C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001588657802 1282609132 /nfs/dbraw/zinc/60/91/32/1282609132.db2.gz XHYXFAKZWRMZNB-NSHDSACASA-N 0 3 372.433 0.080 20 30 FCEDHN C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001588657802 1282609149 /nfs/dbraw/zinc/60/91/49/1282609149.db2.gz XHYXFAKZWRMZNB-NSHDSACASA-N 0 3 372.433 0.080 20 30 FCEDHN C=CCOCC[N@@H+](C)C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001588683295 1282644812 /nfs/dbraw/zinc/64/48/12/1282644812.db2.gz QBJLAJBOOCWECW-UHFFFAOYSA-N 0 3 359.434 0.934 20 30 FCEDHN C=CCOCC[N@H+](C)C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001588683295 1282644824 /nfs/dbraw/zinc/64/48/24/1282644824.db2.gz QBJLAJBOOCWECW-UHFFFAOYSA-N 0 3 359.434 0.934 20 30 FCEDHN C=CCOCC[N@@H+](C)C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001588683295 1282644834 /nfs/dbraw/zinc/64/48/34/1282644834.db2.gz QBJLAJBOOCWECW-UHFFFAOYSA-N 0 3 359.434 0.934 20 30 FCEDHN C=CCOCC[N@H+](C)C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001588683295 1282644848 /nfs/dbraw/zinc/64/48/48/1282644848.db2.gz QBJLAJBOOCWECW-UHFFFAOYSA-N 0 3 359.434 0.934 20 30 FCEDHN C=CCOCC[N@@H+]1CC[C@H](CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001588683504 1282649473 /nfs/dbraw/zinc/64/94/73/1282649473.db2.gz WITBUKJBLGRANA-ZDUSSCGKSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[N@H+]1CC[C@H](CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001588683504 1282649484 /nfs/dbraw/zinc/64/94/84/1282649484.db2.gz WITBUKJBLGRANA-ZDUSSCGKSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[N@@H+]1CC[C@H](CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001588683504 1282649498 /nfs/dbraw/zinc/64/94/98/1282649498.db2.gz WITBUKJBLGRANA-ZDUSSCGKSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[N@H+]1CC[C@H](CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001588683504 1282649511 /nfs/dbraw/zinc/64/95/11/1282649511.db2.gz WITBUKJBLGRANA-ZDUSSCGKSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCn1cc(C(=O)NC[C@@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)nn1 ZINC001588713622 1282662022 /nfs/dbraw/zinc/66/20/22/1282662022.db2.gz OPYJVVIXHMYOTR-GFCCVEGCSA-N 0 3 367.417 0.552 20 30 FCEDHN C=CCn1cc(C(=O)NC[C@@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)nn1 ZINC001588713622 1282662043 /nfs/dbraw/zinc/66/20/43/1282662043.db2.gz OPYJVVIXHMYOTR-GFCCVEGCSA-N 0 3 367.417 0.552 20 30 FCEDHN CC(C)C#CC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001589380017 1282854009 /nfs/dbraw/zinc/85/40/09/1282854009.db2.gz JJASVYOBSQAQHY-CQSZACIVSA-N 0 3 374.420 0.574 20 30 FCEDHN CC(C)C#CC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001589380017 1282854023 /nfs/dbraw/zinc/85/40/23/1282854023.db2.gz JJASVYOBSQAQHY-CQSZACIVSA-N 0 3 374.420 0.574 20 30 FCEDHN COCC#CC[NH2+]C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001591360396 1284496901 /nfs/dbraw/zinc/49/69/01/1284496901.db2.gz CBCXWTROJGCGHR-CQSZACIVSA-N 0 3 359.434 0.579 20 30 FCEDHN COCC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001591361388 1284498233 /nfs/dbraw/zinc/49/82/33/1284498233.db2.gz KVIFLDWTQVTYDM-QEJZJMRPSA-N 0 3 369.429 0.427 20 30 FCEDHN COCC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001591361388 1284498238 /nfs/dbraw/zinc/49/82/38/1284498238.db2.gz KVIFLDWTQVTYDM-QEJZJMRPSA-N 0 3 369.429 0.427 20 30 FCEDHN COCC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001591362767 1284499167 /nfs/dbraw/zinc/49/91/67/1284499167.db2.gz XKXZPYBYUBQUGS-KGLIPLIRSA-N 0 3 371.445 0.675 20 30 FCEDHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)NC(=O)CSCC#N ZINC001591761807 1284887722 /nfs/dbraw/zinc/88/77/22/1284887722.db2.gz JBKWDJYQNPMGPF-SNVBAGLBSA-N 0 3 363.422 0.857 20 30 FCEDHN C=CCCC[C@H]([NH3+])C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001602833884 1287128520 /nfs/dbraw/zinc/12/85/20/1287128520.db2.gz BYJYCWPWLVEAKL-AWEZNQCLSA-N 0 3 356.434 0.594 20 30 FCEDHN C=CCCC[C@H]([NH3+])C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001602833884 1287128523 /nfs/dbraw/zinc/12/85/23/1287128523.db2.gz BYJYCWPWLVEAKL-AWEZNQCLSA-N 0 3 356.434 0.594 20 30 FCEDHN C=CCCC[C@@H]([NH3+])C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001602833885 1287128972 /nfs/dbraw/zinc/12/89/72/1287128972.db2.gz BYJYCWPWLVEAKL-CQSZACIVSA-N 0 3 356.434 0.594 20 30 FCEDHN C=CCCC[C@@H]([NH3+])C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001602833885 1287128979 /nfs/dbraw/zinc/12/89/79/1287128979.db2.gz BYJYCWPWLVEAKL-CQSZACIVSA-N 0 3 356.434 0.594 20 30 FCEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC[NH2+]CCOC ZINC001602856576 1287138143 /nfs/dbraw/zinc/13/81/43/1287138143.db2.gz NQVGSNRQGDPFRN-UHFFFAOYSA-N 0 3 359.434 0.800 20 30 FCEDHN N#CCN1CCC([NH2+]C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001606350235 1288266633 /nfs/dbraw/zinc/26/66/33/1288266633.db2.gz SJSVIYYETSMTQX-HNNXBMFYSA-N 0 3 357.418 0.184 20 30 FCEDHN N#CC[C@@H](O)CN1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001606351437 1288267940 /nfs/dbraw/zinc/26/79/40/1288267940.db2.gz JRSWUYLATFLQHA-OAHLLOKOSA-N 0 3 355.402 0.792 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@H]1CC[C@@H](NCC(=O)Nc2nccs2)C1 ZINC001691875018 1289332634 /nfs/dbraw/zinc/33/26/34/1289332634.db2.gz VJTWHESKOOUPFW-MELADBBJSA-N 0 3 364.471 0.994 20 30 FCEDHN C#CCCCC(=O)N[C@H]1CCN(C[C@H]2CCN(S(C)(=O)=O)C2)[C@@H]1C ZINC001692157111 1289410266 /nfs/dbraw/zinc/41/02/66/1289410266.db2.gz ZBTJJZYAMWHXTN-OAGGEKHMSA-N 0 3 355.504 0.650 20 30 FCEDHN COCC#CCN1CCC2(C1)CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)CC2 ZINC001698734538 1289535051 /nfs/dbraw/zinc/53/50/51/1289535051.db2.gz CTEXOENYHHPICU-SJORKVTESA-N 0 3 361.486 0.852 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)CCNCC(=O)NC(=O)NCC ZINC001699208906 1289547262 /nfs/dbraw/zinc/54/72/62/1289547262.db2.gz QUDJKEYKIHTUDN-ZFWWWQNUSA-N 0 3 354.451 0.251 20 30 FCEDHN C#CCNC(=O)CN1CC[C@H](NC(=O)[C@H]2CCCCN2C(C)C)[C@H]1CC ZINC001689190058 1294659264 /nfs/dbraw/zinc/65/92/64/1294659264.db2.gz ZLDNVAVJTLHOHJ-RCCFBDPRSA-N 0 3 362.518 0.968 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)CCc3c[nH]cn3)C[C@@H]2C1 ZINC001689222857 1294680492 /nfs/dbraw/zinc/68/04/92/1294680492.db2.gz YDILLVVAODOZSQ-OAGGEKHMSA-N 0 3 357.458 0.261 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)CCc3cnc[nH]3)C[C@@H]2C1 ZINC001689222857 1294680500 /nfs/dbraw/zinc/68/05/00/1294680500.db2.gz YDILLVVAODOZSQ-OAGGEKHMSA-N 0 3 357.458 0.261 20 30 FCEDHN CCN(CCC#N)C(=O)CNC[C@H]1CCCCN1C(=O)[C@]12C[C@H]1COC2 ZINC001690469807 1294867393 /nfs/dbraw/zinc/86/73/93/1294867393.db2.gz CREIZCNYYYAEBR-FCEWJHQRSA-N 0 3 362.474 0.756 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)NC(=O)NCCC ZINC001690630367 1294876643 /nfs/dbraw/zinc/87/66/43/1294876643.db2.gz MSDBQVHZQNHRSK-IPYPFGDCSA-N 0 3 354.451 0.298 20 30 FCEDHN C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC001690852957 1294889194 /nfs/dbraw/zinc/88/91/94/1294889194.db2.gz GAQURFHMMJGPST-DAXOMENPSA-N 0 3 360.845 0.809 20 30 FCEDHN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]1n1ccnn1 ZINC001070268905 837641806 /nfs/dbraw/zinc/64/18/06/837641806.db2.gz RPFHHQSOGSGMRC-QLFBSQMISA-N 0 3 354.886 0.958 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2scc3c2OCCO3)C[C@@H]1n1ccnn1 ZINC001070306663 837645314 /nfs/dbraw/zinc/64/53/14/837645314.db2.gz OREYQBVTNZTDDY-NEPJUHHUSA-N 0 3 361.427 0.952 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2CCCCS2(=O)=O)C[C@H]1c1cn(C)cn1 ZINC001070499244 837655222 /nfs/dbraw/zinc/65/52/22/837655222.db2.gz JHAAJCATMCYIBR-NUEKZKHPSA-N 0 3 366.487 0.457 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C[C@@H]2CCCS2(=O)=O)C[C@H]1c1cn(C)cn1 ZINC001070516528 837656714 /nfs/dbraw/zinc/65/67/14/837656714.db2.gz HROQCMFZGQWIFC-OFQRWUPVSA-N 0 3 366.487 0.457 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C(F)(F)F ZINC001099336451 844031549 /nfs/dbraw/zinc/03/15/49/844031549.db2.gz SRPWBKHVTIZVFD-VXGBXAGGSA-N 0 3 361.368 0.445 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(Cc3ncc(C)s3)C[C@H]2O)CC1 ZINC001078227306 839416415 /nfs/dbraw/zinc/41/64/15/839416415.db2.gz UGNRZNQNPNFSIO-HZPDHXFCSA-N 0 3 362.499 0.458 20 30 FCEDHN C#CCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)CC(C)(C)COC)[C@H](C)C1 ZINC001102184505 844436465 /nfs/dbraw/zinc/43/64/65/844436465.db2.gz JXBBASAXIHNVFP-OWCLPIDISA-N 0 3 351.491 0.871 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)CC(C)(C)COC)[C@H](C)C1 ZINC001102184504 844436751 /nfs/dbraw/zinc/43/67/51/844436751.db2.gz JXBBASAXIHNVFP-BZUAXINKSA-N 0 3 351.491 0.871 20 30 FCEDHN C=CCCN1CCC2(CN(C(=O)CS(C)(=O)=O)[C@@H]3COC[C@@H]32)CC1 ZINC001079227214 839495334 /nfs/dbraw/zinc/49/53/34/839495334.db2.gz IGLDOBRFFJSUSK-LSDHHAIUSA-N 0 3 356.488 0.547 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)Cn2cc(Cl)cn2)[C@H](C)C1 ZINC001102412130 844490245 /nfs/dbraw/zinc/49/02/45/844490245.db2.gz AAIYGJSJVKEGDW-MGPQQGTHSA-N 0 3 365.865 0.359 20 30 FCEDHN COCC#CCN1C[C@@H](CNC(=O)[C@@H]2CCCCN2C(N)=O)[C@H](C)C1 ZINC001102504427 844537476 /nfs/dbraw/zinc/53/74/76/844537476.db2.gz OJMFCICYFUMNHD-OAGGEKHMSA-N 0 3 350.463 0.254 20 30 FCEDHN C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001082533111 840452677 /nfs/dbraw/zinc/45/26/77/840452677.db2.gz FSAZPBNWRQFMFS-DGCLKSJQSA-N 0 3 370.881 0.160 20 30 FCEDHN C[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1NCc1ccc(C#N)s1 ZINC001082768805 840550093 /nfs/dbraw/zinc/55/00/93/840550093.db2.gz DUKQXNNYNMDIGH-JIMOISOXSA-N 0 3 361.427 0.154 20 30 FCEDHN N#Cc1ccc(CN2C[C@H]3OCCN(C(=O)Cc4c[nH]cn4)[C@H]3C2)s1 ZINC001083207657 840797139 /nfs/dbraw/zinc/79/71/39/840797139.db2.gz HXHDYHROYIWKDF-JKSUJKDBSA-N 0 3 357.439 0.997 20 30 FCEDHN COCC#CCN1C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)[C@H](C)C1 ZINC001102585386 844582067 /nfs/dbraw/zinc/58/20/67/844582067.db2.gz FITNIRZTKLIIQT-HZPDHXFCSA-N 0 3 351.491 0.873 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H]2COCCN2CC2CCC2)[C@@H](O)C1 ZINC001083670471 841294634 /nfs/dbraw/zinc/29/46/34/841294634.db2.gz BNUZLBFHRRZPLK-KURKYZTESA-N 0 3 351.491 0.615 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CCC2CCOCC2)C[C@@H]1O ZINC001083853466 841501992 /nfs/dbraw/zinc/50/19/92/841501992.db2.gz WXYPRQMQINUGHZ-MHORFTMASA-N 0 3 352.475 0.946 20 30 FCEDHN C=C(C)CN1CCN(C(=O)CC[C@@H]2CCCN2C)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094639544 843631386 /nfs/dbraw/zinc/63/13/86/843631386.db2.gz YORWNFVDMPFVHA-YESZJQIVSA-N 0 3 369.531 0.747 20 30 FCEDHN C=CCN1CCC2(CC1)CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C[C@H](C)O2 ZINC001098635259 843927196 /nfs/dbraw/zinc/92/71/96/843927196.db2.gz FXFFZFAJTOLBBQ-SOUVJXGZSA-N 0 3 351.447 0.287 20 30 FCEDHN C=CCN1CC[C@@H](N2C[C@@H]3CCC[C@]3(NC(=O)c3cnsn3)C2)C1=O ZINC001098742999 843933097 /nfs/dbraw/zinc/93/30/97/843933097.db2.gz XABPJSUCNCMGFT-QEORTHHSSA-N 0 3 361.471 0.909 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@H](Cn2cccn2)N(C)C)C[C@H]1C(F)(F)F ZINC001099262275 843995448 /nfs/dbraw/zinc/99/54/48/843995448.db2.gz GSWNTKHDFDXNHF-MCIONIFRSA-N 0 3 357.380 0.425 20 30 FCEDHN C#CCNC(=O)CC(=O)NCC[C@@H]1CN(Cc2snnc2C)C[C@H]1C ZINC001102891222 844662908 /nfs/dbraw/zinc/66/29/08/844662908.db2.gz LMOSSRHMVZJSSV-TZMCWYRMSA-N 0 3 363.487 0.560 20 30 FCEDHN C=CCOCCN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001103740310 844813044 /nfs/dbraw/zinc/81/30/44/844813044.db2.gz CPMLYKDRXCYKKA-OAGGEKHMSA-N 0 3 358.504 0.840 20 30 FCEDHN C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001103754476 844817127 /nfs/dbraw/zinc/81/71/27/844817127.db2.gz GNKCFZLABZFVPY-ZYHUDNBSSA-N 0 3 354.842 0.204 20 30 FCEDHN CC1(C)OC[C@@H](CN2CCOC[C@@]3(CC(=O)N(CCCC#N)C3)C2)O1 ZINC001276618702 861503963 /nfs/dbraw/zinc/50/39/63/861503963.db2.gz XEYRKKDSKGOECB-QAPCUYQASA-N 0 3 351.447 0.993 20 30 FCEDHN CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N ZINC001109362828 845630203 /nfs/dbraw/zinc/63/02/03/845630203.db2.gz GIKDJVGWPFYELO-KBXIAJHMSA-N 0 3 353.442 0.028 20 30 FCEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](NC(N)=O)C(C)(C)C)C2 ZINC001109980771 845772339 /nfs/dbraw/zinc/77/23/39/845772339.db2.gz ZPCMDBBHIXSEFR-QPSCCSFWSA-N 0 3 352.479 0.994 20 30 FCEDHN C=C[C@H](O)CN1CCOC[C@@]2(CC(=O)N(COC(=O)C(C)(C)C)C2)C1 ZINC001276810838 861622568 /nfs/dbraw/zinc/62/25/68/861622568.db2.gz XZHFZZFEXCEGTD-KSSFIOAISA-N 0 3 354.447 0.631 20 30 FCEDHN C=CCCOCC(=O)N[C@]12CCC[C@H]1CN(CCN1CCNC1=O)C2 ZINC001112016332 846297104 /nfs/dbraw/zinc/29/71/04/846297104.db2.gz LYFGEGFRGLXOIQ-YJBOKZPZSA-N 0 3 350.463 0.575 20 30 FCEDHN C=C[C@](C)(O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCOC)C1 ZINC001112092679 846372770 /nfs/dbraw/zinc/37/27/70/846372770.db2.gz JVTURACPWUTFKZ-NFAWXSAZSA-N 0 3 368.396 0.955 20 30 FCEDHN C#CCOCCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCn2cncn2)C1 ZINC001112101211 846380765 /nfs/dbraw/zinc/38/07/65/846380765.db2.gz CRMPXVUWBPRKMM-CHWSQXEVSA-N 0 3 359.352 0.297 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)CN(C)C(=O)COC)C[C@H]1C(F)(F)F ZINC001112110291 846389197 /nfs/dbraw/zinc/38/91/97/846389197.db2.gz HWSANNYIDMEGEP-VXGBXAGGSA-N 0 3 351.369 0.646 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@H]1C(F)(F)F ZINC001112111096 846390267 /nfs/dbraw/zinc/39/02/67/846390267.db2.gz DRSDTULVWZTZRO-GHMZBOCLSA-N 0 3 357.398 0.433 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1C(F)(F)F ZINC001112135670 846409338 /nfs/dbraw/zinc/40/93/38/846409338.db2.gz JLWFRLKPZGCWMW-LALPHHSUSA-N 0 3 363.380 0.694 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1C(F)(F)F ZINC001112176134 846436300 /nfs/dbraw/zinc/43/63/00/846436300.db2.gz PYLCAGIKFHSRSG-GHMZBOCLSA-N 0 3 371.425 0.869 20 30 FCEDHN C#CCCN[C@@H]1CN(C(=O)[C@]2(C)CCCS2(=O)=O)C[C@H]1C(F)(F)F ZINC001112177986 846438225 /nfs/dbraw/zinc/43/82/25/846438225.db2.gz MIPLUFFAMNTDNR-BZPMIXESSA-N 0 3 366.405 0.956 20 30 FCEDHN C#CCCN[C@@H]1CN(C(=O)c2cccnc2C(N)=O)C[C@H]1C(F)(F)F ZINC001112210778 846467376 /nfs/dbraw/zinc/46/73/76/846467376.db2.gz FBXOTWPJIKHLHT-VXGBXAGGSA-N 0 3 354.332 0.796 20 30 FCEDHN C=CCCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCOCCO)C1 ZINC001112215765 846471498 /nfs/dbraw/zinc/47/14/98/846471498.db2.gz LTEZIGPBEIPVOX-CHWSQXEVSA-N 0 3 354.369 0.567 20 30 FCEDHN COCCCNC(=O)C(C#N)C(=O)Cc1csc(N2CCCC2=O)n1 ZINC001122707087 848532412 /nfs/dbraw/zinc/53/24/12/848532412.db2.gz HBRIXLCLLXWTTK-LBPRGKRZSA-N 0 3 364.427 0.674 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NCCNCC(=O)NC(=O)NCCCC ZINC001127613050 848728894 /nfs/dbraw/zinc/72/88/94/848728894.db2.gz MOMASYHCNKSWBM-KGLIPLIRSA-N 0 3 354.451 0.299 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H](C)OCCOC)[C@@H](n2ccnn2)C1 ZINC001129301673 848828462 /nfs/dbraw/zinc/82/84/62/848828462.db2.gz VNMWLPIUXVHFLH-OAGGEKHMSA-N 0 3 351.451 0.637 20 30 FCEDHN CC(C)OCCN[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1n1ccnn1 ZINC001129603644 848867197 /nfs/dbraw/zinc/86/71/97/848867197.db2.gz CYXOGLBCPNSWRY-KGLIPLIRSA-N 0 3 352.464 0.301 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)CSCCC)C[C@@H]1n1ccnn1 ZINC001129633497 848873730 /nfs/dbraw/zinc/87/37/30/848873730.db2.gz NZEVUGISROHKFG-CABCVRRESA-N 0 3 353.492 0.965 20 30 FCEDHN 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C[C@@H](C#N)C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573571014 947097743 /nfs/dbraw/zinc/09/77/43/947097743.db2.gz WVIRDPFUTMJFOK-AAEUAGOBSA-N 0 3 373.392 0.482 20 30 FCEDHN C=CCOCC[N@@H+]1CC[C@H](CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573348746 947587465 /nfs/dbraw/zinc/58/74/65/947587465.db2.gz UPRGKDYJEPMVOK-ZDUSSCGKSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[N@H+]1CC[C@H](CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573348746 947587470 /nfs/dbraw/zinc/58/74/70/947587470.db2.gz UPRGKDYJEPMVOK-ZDUSSCGKSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[N@@H+]1CC[C@H](CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573348746 947587478 /nfs/dbraw/zinc/58/74/78/947587478.db2.gz UPRGKDYJEPMVOK-ZDUSSCGKSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[N@H+]1CC[C@H](CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573348746 947587481 /nfs/dbraw/zinc/58/74/81/947587481.db2.gz UPRGKDYJEPMVOK-ZDUSSCGKSA-N 0 3 359.434 0.839 20 30 FCEDHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]Cc1ccc(C#N)cc1 ZINC001574983976 950251034 /nfs/dbraw/zinc/25/10/34/950251034.db2.gz UNMUXCFZSNSSSM-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000298078038 214505842 /nfs/dbraw/zinc/50/58/42/214505842.db2.gz MKZNLSFLRXQSNT-MRXNPFEDSA-N 0 3 370.457 0.154 20 30 FCEDHN CN(C)[C@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000290099285 213930104 /nfs/dbraw/zinc/93/01/04/213930104.db2.gz LIUJUFXKVIAQQF-AWEZNQCLSA-N 0 3 350.444 0.389 20 30 FCEDHN CN(C)CCN1CCC(NC(=O)C(=O)N(C)Cc2cccc(C#N)c2)CC1 ZINC000283877692 213025983 /nfs/dbraw/zinc/02/59/83/213025983.db2.gz CFXLNDHUGSJCHR-UHFFFAOYSA-N 0 3 371.485 0.659 20 30 FCEDHN CN(C)CC1(O)CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000931485468 674117177 /nfs/dbraw/zinc/11/71/77/674117177.db2.gz JOVDCFWSNSUUTE-UHFFFAOYSA-N 0 3 351.472 0.720 20 30 FCEDHN CCN1C(=O)[C@@H]2CN(CCC(=O)Nc3ccc(C#N)cc3)CCN2C1=O ZINC000375860343 217327815 /nfs/dbraw/zinc/32/78/15/217327815.db2.gz MMOWTFSUCGQTEV-HNNXBMFYSA-N 0 3 355.398 0.855 20 30 FCEDHN N#Cc1ccc(OC2CCN(C(=O)C(=O)N3CCCNCC3)CC2)c(F)c1 ZINC000423613398 247077366 /nfs/dbraw/zinc/07/73/66/247077366.db2.gz QZPJVVIGOGZTBW-UHFFFAOYSA-N 0 3 374.416 0.889 20 30 FCEDHN N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN)CCN1Cc1ccccc1 ZINC000423642651 247087339 /nfs/dbraw/zinc/08/73/39/247087339.db2.gz IHEBZWMOLDWRPC-SJORKVTESA-N 0 3 355.442 0.173 20 30 FCEDHN N#Cc1cccc(OC2CCN(C(=O)C(=O)N3CCC[C@@H]3CN)CC2)c1 ZINC000423657502 247096783 /nfs/dbraw/zinc/09/67/83/247096783.db2.gz ZCXYOWFHWFDTGH-OAHLLOKOSA-N 0 3 356.426 0.878 20 30 FCEDHN C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](N)c2ccccc2CC)C1=O ZINC000423972816 247157142 /nfs/dbraw/zinc/15/71/42/247157142.db2.gz IRXUSOXFNBEFLO-AWEZNQCLSA-N 0 3 358.398 0.342 20 30 FCEDHN N#CCCC[C@H](N)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000424139958 247172012 /nfs/dbraw/zinc/17/20/12/247172012.db2.gz VWYPYFUCSJNDSQ-INIZCTEOSA-N 0 3 359.430 0.917 20 30 FCEDHN N#CCCC[C@@H](N)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000424129271 247172082 /nfs/dbraw/zinc/17/20/82/247172082.db2.gz CQGCDFAMNOVQOO-QGZVFWFLSA-N 0 3 357.458 0.468 20 30 FCEDHN N#CCCC[C@H](N)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000424152657 247173013 /nfs/dbraw/zinc/17/30/13/247173013.db2.gz ITTUAFMCDVSYGM-HNNXBMFYSA-N 0 3 358.446 0.258 20 30 FCEDHN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)[C@H](N)CCCC#N)CC2)C1 ZINC000424154822 247174767 /nfs/dbraw/zinc/17/47/67/247174767.db2.gz MCHNHTJJKRPNIW-IXDOHACOSA-N 0 3 363.506 0.847 20 30 FCEDHN CCN(CC)CCN(C(=O)[C@H](N)CCCC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000424194933 247176175 /nfs/dbraw/zinc/17/61/75/247176175.db2.gz SLQUTKCADMOIOO-HUUCEWRRSA-N 0 3 358.508 0.365 20 30 FCEDHN C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)[C@@H](N)CCCC#N ZINC000424182119 247177176 /nfs/dbraw/zinc/17/71/76/247177176.db2.gz GDUHKZDBEBEJER-ZFWWWQNUSA-N 0 3 352.460 0.881 20 30 FCEDHN Cn1cc([C@@H]2CN(C(=O)C(=O)Nc3ccc(C#N)cc3F)C[C@H]2N)cn1 ZINC000424441960 247216497 /nfs/dbraw/zinc/21/64/97/247216497.db2.gz BPYRGXXOTIXSTJ-GXTWGEPZSA-N 0 3 356.361 0.323 20 30 FCEDHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@]2(C#N)CC23CCCC3)CC1=O ZINC000425326127 247326268 /nfs/dbraw/zinc/32/62/68/247326268.db2.gz YAYQRNOXNSFJMN-KXBFYZLASA-N 0 3 362.474 0.756 20 30 FCEDHN CC(C)C[C@H](NS(=O)(=O)CC(C)(C)CC#N)C(=O)NCCN(C)C ZINC000451354516 248508938 /nfs/dbraw/zinc/50/89/38/248508938.db2.gz RVXKDQWVZYRFRW-AWEZNQCLSA-N 0 3 360.524 0.938 20 30 FCEDHN Cc1nc(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)ccc1C#N ZINC000453629054 249348169 /nfs/dbraw/zinc/34/81/69/249348169.db2.gz QAKURORXIWYVAH-OAHLLOKOSA-N 0 3 359.430 0.769 20 30 FCEDHN CN(C)CCOC1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 ZINC000474062537 250268333 /nfs/dbraw/zinc/26/83/33/250268333.db2.gz WAHQKDBZEBHVRQ-UHFFFAOYSA-N 0 3 358.442 0.857 20 30 FCEDHN C=CCOC[C@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)C(=O)OC ZINC000481596401 250343743 /nfs/dbraw/zinc/34/37/43/250343743.db2.gz KAKUUCABWUKWHV-HNNXBMFYSA-N 0 3 356.444 0.771 20 30 FCEDHN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000482398677 250389262 /nfs/dbraw/zinc/38/92/62/250389262.db2.gz OJCRNDWZRHZOJX-KCQAQPDRSA-N 0 3 364.471 0.824 20 30 FCEDHN C[C@@H](NS(C)(=O)=O)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000073107961 208046033 /nfs/dbraw/zinc/04/60/33/208046033.db2.gz GUHVDYXBKOFBGS-CYBMUJFWSA-N 0 3 352.460 0.386 20 30 FCEDHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000076257404 208065153 /nfs/dbraw/zinc/06/51/53/208065153.db2.gz CMJMDUKGAYOBON-OAHLLOKOSA-N 0 3 357.458 0.887 20 30 FCEDHN CCN(CC)CC(=O)N1CCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000103492920 208178623 /nfs/dbraw/zinc/17/86/23/208178623.db2.gz RKSJDKRQOIVIMC-UHFFFAOYSA-N 0 3 357.458 0.983 20 30 FCEDHN N#Cc1ccc(OC[C@H](O)CN2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000104067650 208180312 /nfs/dbraw/zinc/18/03/12/208180312.db2.gz DZSPHKUNEXBGOY-IEBWSBKVSA-N 0 3 372.469 0.712 20 30 FCEDHN N#Cc1ccsc1NC(=O)CN1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000104067771 208182460 /nfs/dbraw/zinc/18/24/60/208182460.db2.gz IEAVRCPDVPIQFJ-CQSZACIVSA-N 0 3 361.471 0.972 20 30 FCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCC[C@H]3CCO)CC2)o1 ZINC000109785944 208261678 /nfs/dbraw/zinc/26/16/78/208261678.db2.gz DQFPVXDBILNZSX-HNNXBMFYSA-N 0 3 361.446 0.740 20 30 FCEDHN COC[C@@H]1CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000112986324 208303773 /nfs/dbraw/zinc/30/37/73/208303773.db2.gz MKDWCVNHZLLKKT-OAHLLOKOSA-N 0 3 361.446 0.862 20 30 FCEDHN COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000410132107 533328876 /nfs/dbraw/zinc/32/88/76/533328876.db2.gz BOESAFQRBPBICR-MRXNPFEDSA-N 0 3 358.508 0.947 20 30 FCEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@H](C3OCCO3)C2)CC1 ZINC000932003225 674161636 /nfs/dbraw/zinc/16/16/36/674161636.db2.gz NQYXPHZCFJJLKS-JKSUJKDBSA-N 0 3 350.463 0.374 20 30 FCEDHN CN(C)CCN1C[C@H](C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)CC1=O ZINC000377278764 230000102 /nfs/dbraw/zinc/00/01/02/230000102.db2.gz RIXWXJLHLUTYDR-JTDSTZFVSA-N 0 3 362.474 0.850 20 30 FCEDHN N#C[C@@H]1CN(C(=O)[C@H]2CN3CCN2CCC3)CCN1Cc1ccccc1 ZINC000408030643 230007617 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489272205 /nfs/dbraw/zinc/27/22/05/489272205.db2.gz WXZOEPARBUPTFX-OAHLLOKOSA-N 0 3 350.463 0.176 20 30 FCEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCn2cnnc2[C@H]1C)C(C)C ZINC000284006964 489300151 /nfs/dbraw/zinc/30/01/51/489300151.db2.gz KJZKMAOHSBIBLS-HZPDHXFCSA-N 0 3 374.489 0.996 20 30 FCEDHN C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000370285307 489339677 /nfs/dbraw/zinc/33/96/77/489339677.db2.gz LEVMQXQXEHPKRL-HUUCEWRRSA-N 0 3 357.524 0.565 20 30 FCEDHN CN(C)CCN(C1CCN(C)CC1)S(=O)(=O)c1cncc(C#N)c1 ZINC000570487886 491244237 /nfs/dbraw/zinc/24/42/37/491244237.db2.gz ZREDGDPRGLIBBG-UHFFFAOYSA-N 0 3 351.476 0.600 20 30 FCEDHN C#Cc1cccc(NC(=O)CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000360977128 489361269 /nfs/dbraw/zinc/36/12/69/489361269.db2.gz KTRARGCWADAPAI-IRXDYDNUSA-N 0 3 356.426 0.769 20 30 FCEDHN CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000298809896 489368471 /nfs/dbraw/zinc/36/84/71/489368471.db2.gz SXITXBNFXOIMQL-HZPDHXFCSA-N 0 3 371.441 0.486 20 30 FCEDHN CN1CCC[C@@H]1C(=O)N1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000286255155 489374154 /nfs/dbraw/zinc/37/41/54/489374154.db2.gz PLRSPBSVZUWCOF-OAHLLOKOSA-N 0 3 358.402 0.791 20 30 FCEDHN C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)C1=O ZINC000286335398 489381212 /nfs/dbraw/zinc/38/12/12/489381212.db2.gz RSOAFWFVKGILTK-HOTGVXAUSA-N 0 3 364.490 0.468 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2C[C@@H](C)[C@](C)(C(=O)OC)C2)CC1 ZINC000286366960 489384558 /nfs/dbraw/zinc/38/45/58/489384558.db2.gz CDRPVGUIVDHZLG-FZKQIMNGSA-N 0 3 351.447 0.411 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)CC1 ZINC000286608782 489409535 /nfs/dbraw/zinc/40/95/35/489409535.db2.gz LEYWMXDQGAWLFQ-GOEBONIOSA-N 0 3 364.490 0.516 20 30 FCEDHN CN(C)CCOc1ccccc1CNc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000299316922 489431079 /nfs/dbraw/zinc/43/10/79/489431079.db2.gz JAZIYFFWIIEQAR-UHFFFAOYSA-N 0 3 357.414 0.508 20 30 FCEDHN C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1=O ZINC000299480474 489446374 /nfs/dbraw/zinc/44/63/74/489446374.db2.gz CNYYNDPQCJUXTH-OAHLLOKOSA-N 0 3 370.409 0.354 20 30 FCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCNC(C)(C)C1 ZINC000423079966 489492196 /nfs/dbraw/zinc/49/21/96/489492196.db2.gz YZWJDCDXIZUYLL-UHFFFAOYSA-N 0 3 371.485 0.659 20 30 FCEDHN CC(C)C[C@H](CN)NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000415420778 489518733 /nfs/dbraw/zinc/51/87/33/489518733.db2.gz BPIFVCNOHALVAX-CYBMUJFWSA-N 0 3 372.404 1.311 20 30 FCEDHN CCS(=O)(=O)N1CCC(CNCc2cnc3c(C#N)cnn3c2)CC1 ZINC000570720932 491260565 /nfs/dbraw/zinc/26/05/65/491260565.db2.gz PQEDRGDPNQKAMP-UHFFFAOYSA-N 0 3 362.459 0.752 20 30 FCEDHN N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC[C@@H]3CN)n2)c(F)c1 ZINC000415468122 489523971 /nfs/dbraw/zinc/52/39/71/489523971.db2.gz JUQLWGHDLUTCEK-GFCCVEGCSA-N 0 3 356.361 0.771 20 30 FCEDHN [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000372098146 489544542 /nfs/dbraw/zinc/54/45/42/489544542.db2.gz HCECAVBRSHTGTG-YHWZYXNKSA-N 0 3 362.455 0.596 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NCCOc2ccccc2OC)CC1 ZINC000555650007 491262535 /nfs/dbraw/zinc/26/25/35/491262535.db2.gz LVFVAYIPUWBCCA-UHFFFAOYSA-N 0 3 361.442 0.957 20 30 FCEDHN C[C@@H](CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)N(C)C ZINC000453958132 489555868 /nfs/dbraw/zinc/55/58/68/489555868.db2.gz TYPZBUMPIBUVSZ-NSHDSACASA-N 0 3 358.377 0.888 20 30 FCEDHN CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)NC[C@@H]2CNCCO2)s1 ZINC000415873162 489562798 /nfs/dbraw/zinc/56/27/98/489562798.db2.gz YCPGTCCVVCMLCM-NSHDSACASA-N 0 3 350.444 0.960 20 30 FCEDHN N#Cc1cc(NC(=O)[C@@H]2CN3CCN2CCC3)ccc1N1CCC(O)CC1 ZINC000372338854 489572659 /nfs/dbraw/zinc/57/26/59/489572659.db2.gz KWEWETKBZSQRGZ-IBGZPJMESA-N 0 3 369.469 0.848 20 30 FCEDHN CN(C)CC(C)(C)NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000457198622 489640113 /nfs/dbraw/zinc/64/01/13/489640113.db2.gz BIKWVHNKYGJUAA-UHFFFAOYSA-N 0 3 352.460 0.635 20 30 FCEDHN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC(C)(C)CN(C)C ZINC000457206080 489640308 /nfs/dbraw/zinc/64/03/08/489640308.db2.gz LIBUZYPPBNIXRX-LBPRGKRZSA-N 0 3 352.460 0.681 20 30 FCEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1 ZINC000376327639 489733445 /nfs/dbraw/zinc/73/34/45/489733445.db2.gz KYZQQKDOOYSLTC-OAHLLOKOSA-N 0 3 370.519 0.893 20 30 FCEDHN N#CCNC(=O)CNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000376561145 489754731 /nfs/dbraw/zinc/75/47/31/489754731.db2.gz HIHZGNHPMARHIX-MRXNPFEDSA-N 0 3 359.430 0.216 20 30 FCEDHN Cn1ncc(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)c1C#N ZINC000474903726 489793564 /nfs/dbraw/zinc/79/35/64/489793564.db2.gz AYHFOHLBEYBCDX-UHFFFAOYSA-N 0 3 352.442 0.969 20 30 FCEDHN C=CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@H](OC)C[C@@H]1CN ZINC000418943217 489797923 /nfs/dbraw/zinc/79/79/23/489797923.db2.gz ZDMPDQJCCAEIMS-HZPDHXFCSA-N 0 3 361.442 0.832 20 30 FCEDHN CN(C)C1(CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 ZINC000419799051 489871297 /nfs/dbraw/zinc/87/12/97/489871297.db2.gz ZGOOREDUAJWUMR-UHFFFAOYSA-N 0 3 370.388 1.032 20 30 FCEDHN CN1CCC(O)(CNC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 ZINC000476243060 489876377 /nfs/dbraw/zinc/87/63/77/489876377.db2.gz DEMBQUFJSDUKTQ-QGZVFWFLSA-N 0 3 370.453 0.622 20 30 FCEDHN CC(=O)N1CCN(C(=O)CCNC(=O)C(C#N)CCc2ccccc2)CC1 ZINC000433346196 489877136 /nfs/dbraw/zinc/87/71/36/489877136.db2.gz CKCHVOOXUVRKLT-GOSISDBHSA-N 0 3 370.453 0.956 20 30 FCEDHN N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N[C@@H](CN)C2CC2)CC1 ZINC000420031574 489887404 /nfs/dbraw/zinc/88/74/04/489887404.db2.gz HJCWUMIZKKUQSD-HNNXBMFYSA-N 0 3 359.405 0.199 20 30 FCEDHN CNS(=O)(=O)C[C@H]1CCCN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000494709200 489907665 /nfs/dbraw/zinc/90/76/65/489907665.db2.gz MZDXFVWFHXVQSZ-OAHLLOKOSA-N 0 3 350.444 0.900 20 30 FCEDHN N#CCCCNC(=O)C(=O)N[C@@H]1CNCC[C@@H]1c1ccc(F)c(F)c1 ZINC000420105459 489914065 /nfs/dbraw/zinc/91/40/65/489914065.db2.gz UUBHLSYCYVHKJJ-IUODEOHRSA-N 0 3 350.369 0.946 20 30 FCEDHN COCCNCCNC(=O)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000420165154 489937615 /nfs/dbraw/zinc/93/76/15/489937615.db2.gz MTDOOYXHPJKSFB-IAGOWNOFSA-N 0 3 358.442 0.637 20 30 FCEDHN C=CCc1ccc(OC[C@H](O)CN2CC[C@H](CO)[C@H](O)C2)c(OC)c1 ZINC000564153990 491291360 /nfs/dbraw/zinc/29/13/60/491291360.db2.gz ZQLFFQUTQADOPE-BRWVUGGUSA-N 0 3 351.443 0.839 20 30 FCEDHN C[C@@H](CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)N(C)C1CC1 ZINC000377901757 489975571 /nfs/dbraw/zinc/97/55/71/489975571.db2.gz OGMBBEFFPBCCRL-LBPRGKRZSA-N 0 3 367.413 0.676 20 30 FCEDHN CCOC(=O)[C@H](C)[C@@H](C)NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000477660123 489982939 /nfs/dbraw/zinc/98/29/39/489982939.db2.gz BAPYFSZXJINSPO-BZUAXINKSA-N 0 3 352.479 0.856 20 30 FCEDHN CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)[C@@H](C)C2CCN(C)CC2)n1 ZINC000438778896 490037346 /nfs/dbraw/zinc/03/73/46/490037346.db2.gz MZHNIAAXXKCDIE-ZDUSSCGKSA-N 0 3 360.462 1.463 20 30 FCEDHN N#Cc1ccc(N2CCN(C(=O)[C@@H]3CN4CCN3CCC4)CC2)c(F)c1 ZINC000378320645 490048539 /nfs/dbraw/zinc/04/85/39/490048539.db2.gz VMPQVPXDHNLBJK-SFHVURJKSA-N 0 3 357.433 0.736 20 30 FCEDHN CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)Cn1cnc(C#N)n1 ZINC000496816227 490127577 /nfs/dbraw/zinc/12/75/77/490127577.db2.gz KLMFSXXVTLPWHP-AWEZNQCLSA-N 0 3 362.434 0.416 20 30 FCEDHN C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000467529395 490307914 /nfs/dbraw/zinc/30/79/14/490307914.db2.gz AGYPYBWGMDJKPN-UHFFFAOYSA-N 0 3 356.386 0.546 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCN(C)C2=O)cc1 ZINC000483480168 490320130 /nfs/dbraw/zinc/32/01/30/490320130.db2.gz UOCCSEDCOXWXTI-GWCFXTLKSA-N 0 3 350.400 0.725 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@]2(O)CCOC2)cc1 ZINC000483479045 490321194 /nfs/dbraw/zinc/32/11/94/490321194.db2.gz SFEZIXHCVDKMPT-XHDPSFHLSA-N 0 3 353.400 0.645 20 30 FCEDHN C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@]2(O)CCN(C)C2)cc1 ZINC000483603846 490332945 /nfs/dbraw/zinc/33/29/45/490332945.db2.gz URLHCOJSLIEVMB-BLLLJJGKSA-N 0 3 366.443 0.560 20 30 FCEDHN C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC000508826937 490364927 /nfs/dbraw/zinc/36/49/27/490364927.db2.gz PGELBPALTSZFSH-UONOGXRCSA-N 0 3 370.523 0.851 20 30 FCEDHN C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](Cc2ccccc2)N(C)C)C1=O ZINC000534524791 490375819 /nfs/dbraw/zinc/37/58/19/490375819.db2.gz PJNJHSVYHGGEKV-HNNXBMFYSA-N 0 3 372.425 0.252 20 30 FCEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000534665792 490395741 /nfs/dbraw/zinc/39/57/41/490395741.db2.gz LHKDRPGJJQCCRC-QGZVFWFLSA-N 0 3 374.485 0.832 20 30 FCEDHN CC(C)C[C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)NCCN(C)C ZINC000509195441 490401323 /nfs/dbraw/zinc/40/13/23/490401323.db2.gz JRXYZJYOPQPXMJ-KBPBESRZSA-N 0 3 361.512 0.147 20 30 FCEDHN CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)N(C)[C@@H](C)CC#N ZINC000509343188 490418267 /nfs/dbraw/zinc/41/82/67/490418267.db2.gz JFKGHORHCSAWLI-JKSUJKDBSA-N 0 3 359.540 0.813 20 30 FCEDHN C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(OCCN(C)C)c(C)c1 ZINC000411357349 490438272 /nfs/dbraw/zinc/43/82/72/490438272.db2.gz SQSUCZZGMDSIEB-UHFFFAOYSA-N 0 3 362.430 0.292 20 30 FCEDHN C[C@H]1CN(Cc2ccccc2)CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 ZINC000450810193 490492055 /nfs/dbraw/zinc/49/20/55/490492055.db2.gz MEYISPINLWQNKV-HNNXBMFYSA-N 0 3 367.453 0.914 20 30 FCEDHN CN1CCN(CCNCCS(=O)(=O)c2ccc(C#N)cc2)CC1(C)C ZINC000564862572 491332041 /nfs/dbraw/zinc/33/20/41/491332041.db2.gz DFWHGQZXCFMVID-UHFFFAOYSA-N 0 3 364.515 0.948 20 30 FCEDHN C=CCN(CCCS(N)(=O)=O)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000525127545 490576887 /nfs/dbraw/zinc/57/68/87/490576887.db2.gz HKEFPGDCTQDVHW-ZDUSSCGKSA-N 0 3 350.448 0.890 20 30 FCEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@H](CS(N)(=O)=O)C1 ZINC000511595348 490605865 /nfs/dbraw/zinc/60/58/65/490605865.db2.gz SDPVYOZRBPOJBN-NSHDSACASA-N 0 3 356.473 0.949 20 30 FCEDHN C[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)C(=O)NCCN(C)C ZINC000571954819 491339843 /nfs/dbraw/zinc/33/98/43/491339843.db2.gz YHBQDVSSCXQQDU-AWEZNQCLSA-N 0 3 373.457 0.850 20 30 FCEDHN N#CCNC(=O)CNC(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000511895335 490634479 /nfs/dbraw/zinc/63/44/79/490634479.db2.gz 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N#Cc1cc(C(=O)N2C[C@H]3CCN(CCN4C(=O)CCC4=O)C[C@H]3C2)c[nH]1 ZINC001087940510 1189949302 /nfs/dbraw/zinc/94/93/02/1189949302.db2.gz LXKUAAOZABKELI-HIFRSBDPSA-N 0 3 369.425 0.429 20 30 FCEDHN CN1CCC[C@@H](N2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3C2)C1=O ZINC001087940842 1189951472 /nfs/dbraw/zinc/95/14/72/1189951472.db2.gz YSFINDYIFLSJTN-UKPHBRMFSA-N 0 3 355.442 0.901 20 30 FCEDHN C=CCN1CC[C@H](N2CC[C@@H]3CN(C(=O)c4cnc[nH]c4=O)C[C@@H]3C2)C1=O ZINC001088006934 1190196598 /nfs/dbraw/zinc/19/65/98/1190196598.db2.gz LDELVBBTJMWGHP-YCPHGPKFSA-N 0 3 371.441 0.363 20 30 FCEDHN N#Cc1ccc(CN2CC[C@@H]3CN(C(=O)[C@H]4CCNC4=O)C[C@@H]3C2)cc1 ZINC001088064896 1190338091 /nfs/dbraw/zinc/33/80/91/1190338091.db2.gz AILNJGYZERLMSK-SQNIBIBYSA-N 0 3 352.438 0.975 20 30 FCEDHN C=CCN1CC[C@@H](N2CC[C@@H]3CN(C(=O)c4cnc(C)n4C)C[C@@H]3C2)C1=O ZINC001088081536 1190459508 /nfs/dbraw/zinc/45/95/08/1190459508.db2.gz TVVLPATZTYMTKB-IXDOHACOSA-N 0 3 371.485 0.909 20 30 FCEDHN C=CCN1CC[C@@H](N2C[C@@H]3CCN(C(=O)Cc4cnn(C)c4C)[C@@H]3C2)C1=O ZINC001075870835 1190737382 /nfs/dbraw/zinc/73/73/82/1190737382.db2.gz VUSMHVVOAGXRIF-CGTJXYLNSA-N 0 3 371.485 0.591 20 30 FCEDHN C#CCN1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4cc[nH]n4)C[C@@H]3C2)CC1 ZINC000985761229 1190805654 /nfs/dbraw/zinc/80/56/54/1190805654.db2.gz PDLQFLVVYCMDLP-SJORKVTESA-N 0 3 369.469 0.675 20 30 FCEDHN C#CCN1CCC(C(=O)N2CC[C@@H]3CN(C(=O)c4ccn[nH]4)C[C@@H]3C2)CC1 ZINC000985761229 1190805656 /nfs/dbraw/zinc/80/56/56/1190805656.db2.gz PDLQFLVVYCMDLP-SJORKVTESA-N 0 3 369.469 0.675 20 30 FCEDHN C#CCNC(=O)CC(=O)N1CCO[C@@H]2CN(CCCc3ccccc3)C[C@@H]21 ZINC001217690985 1224122182 /nfs/dbraw/zinc/12/21/82/1224122182.db2.gz YRMDTJXQRYPAPY-RBUKOAKNSA-N 0 3 369.465 0.670 20 30 FCEDHN C=CCCCCCN1C[C@H]2OCCN(C(=O)CCNC(=O)COC)[C@H]2C1 ZINC001218056604 1224137302 /nfs/dbraw/zinc/13/73/02/1224137302.db2.gz CBEWHHSXFIUEHR-DLBZAZTESA-N 0 3 367.490 0.797 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1C[C@@]2(CN(C(=O)C(C)(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105668126 1193946822 /nfs/dbraw/zinc/94/68/22/1193946822.db2.gz HVSPOLOJECRUHE-UOSKARGWSA-N 0 3 363.502 0.748 20 30 FCEDHN CC(C)(C)OC(=O)CC[C@@H](N)C(=O)Nc1c(C#N)cnc2c(C#N)cnn21 ZINC001218638338 1224187129 /nfs/dbraw/zinc/18/71/29/1224187129.db2.gz YCZPYVWKYQRAPP-GFCCVEGCSA-N 0 3 369.385 0.860 20 30 FCEDHN C=CCN1CC[C@@H](N2C[C@@H]3CCN(C(=O)CCc4ccon4)[C@@H]3C2)C1=O ZINC001076040053 1194259383 /nfs/dbraw/zinc/25/93/83/1194259383.db2.gz IEBQDUOEQNIXEZ-USXIJHARSA-N 0 3 358.442 0.927 20 30 FCEDHN C=CCn1cc(C(=O)N2CC[C@H]3CN([C@@H]4CCN(CC=C)C4=O)C[C@H]32)nn1 ZINC001076335944 1194398427 /nfs/dbraw/zinc/39/84/27/1194398427.db2.gz DJAOTCQYTIZDBB-USXIJHARSA-N 0 3 370.457 0.397 20 30 FCEDHN C=CCN1CC[C@@H](N2C[C@@H]3CCN(C(=O)COc4cccnc4)[C@@H]3C2)C1=O ZINC001076364435 1194419448 /nfs/dbraw/zinc/41/94/48/1194419448.db2.gz CDUPZMZMQYRDOI-CGTJXYLNSA-N 0 3 370.453 0.780 20 30 FCEDHN C=CCN1CC[C@H](N2C[C@@H]3CCN(C(=O)c4cc(C(N)=O)c[nH]4)[C@@H]3C2)C1=O ZINC001076405185 1194449606 /nfs/dbraw/zinc/44/96/06/1194449606.db2.gz CZQYVDROROPARD-VBNZEHGJSA-N 0 3 371.441 0.047 20 30 FCEDHN C=CCN1CC[C@H](N2C[C@@H]3CCN(C(=O)c4[nH]cnc4CC)[C@@H]3C2)C1=O ZINC001076511063 1194535748 /nfs/dbraw/zinc/53/57/48/1194535748.db2.gz BECWLPGZQNVCAM-CWRNSKLLSA-N 0 3 357.458 0.905 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CCCC2CCOCC2)C[C@H]1O ZINC001077159253 1195282000 /nfs/dbraw/zinc/28/20/00/1195282000.db2.gz VPKDVJBPSPSFRB-CEXWTWQISA-N 0 3 363.502 0.452 20 30 FCEDHN N#Cc1ccc(CN2C[C@@H](NC(=O)c3[nH]nc4c3CCC4)[C@@H](O)C2)cc1 ZINC001083597388 1195625366 /nfs/dbraw/zinc/62/53/66/1195625366.db2.gz SBANEUOYJHJAMT-SJORKVTESA-N 0 3 351.410 0.745 20 30 FCEDHN C#CCNC(=O)CC(=O)N[C@@H]1CN(C[C@H](OC)C2CCCC2)C[C@H]1OC ZINC001212149628 1196478448 /nfs/dbraw/zinc/47/84/48/1196478448.db2.gz CMOAJLGGBASFNI-IXDOHACOSA-N 0 3 365.474 0.147 20 30 FCEDHN N#Cc1cc(CC(=O)N2CC[C@H]3CN(CCn4ccnc4)C[C@H]32)ccn1 ZINC001272270100 1196504545 /nfs/dbraw/zinc/50/45/45/1196504545.db2.gz FTRRTBXHSXMUFU-FUHWJXTLSA-N 0 3 350.426 0.925 20 30 FCEDHN C[C@@H]1CNCCN1C(=O)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593783365 1196819991 /nfs/dbraw/zinc/81/99/91/1196819991.db2.gz YELYLNRMNNQPQD-OAHLLOKOSA-N 0 3 369.469 0.459 20 30 FCEDHN N#CCOc1ccccc1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000171339665 1196824672 /nfs/dbraw/zinc/82/46/72/1196824672.db2.gz FYKDFYFOBSBHCW-UHFFFAOYSA-N 0 3 356.426 0.969 20 30 FCEDHN C=CCCn1cc(C(=O)N[C@H]2CCN(C[C@@H]3CCc4ncnn43)[C@@H]2C)nn1 ZINC001088911440 1196833576 /nfs/dbraw/zinc/83/35/76/1196833576.db2.gz RJEDOHWTONWQSL-ILXRZTDVSA-N 0 3 370.461 0.826 20 30 FCEDHN CCCN(C)CC(=O)N1C[C@@H](Nc2cnc(C#N)cn2)[C@@H](n2ccnn2)C1 ZINC001089089201 1196893966 /nfs/dbraw/zinc/89/39/66/1196893966.db2.gz BDMVPKMMXAUJGL-CABCVRRESA-N 0 3 369.433 0.146 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@H]1N(CCN1CCNC1=O)CC2 ZINC000992237938 1197029120 /nfs/dbraw/zinc/02/91/20/1197029120.db2.gz BRHPNDRNFVKFHX-YYAJDYIMSA-N 0 3 362.474 0.716 20 30 FCEDHN C#CCN1CCC(C(=O)N2C[C@H]3CN(C(=O)c4cn[nH]n4)C[C@@]3(C)C2)CC1 ZINC000993021362 1197688122 /nfs/dbraw/zinc/68/81/22/1197688122.db2.gz UQGGXGKXROGFAI-HNAYVOBHSA-N 0 3 370.457 0.070 20 30 FCEDHN C#CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000735589257 1197864689 /nfs/dbraw/zinc/86/46/89/1197864689.db2.gz GEZOUQCESKGIFX-NVXWUHKLSA-N 0 3 357.410 0.617 20 30 FCEDHN CC(C)CC(=O)N1CCC(CN2C[C@@H](NC(=O)[C@@H](C)C#N)[C@@H](O)C2)CC1 ZINC001219379666 1224447864 /nfs/dbraw/zinc/44/78/64/1224447864.db2.gz WFIGSFHITYSNTD-UAGQMJEPSA-N 0 3 364.490 0.592 20 30 FCEDHN COCCCNC(=O)C(C#N)C(=O)[C@@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000741429203 1198097686 /nfs/dbraw/zinc/09/76/86/1198097686.db2.gz DGTZZCMMDKPUFP-CABCVRRESA-N 0 3 366.462 0.926 20 30 FCEDHN N#CC(C(=O)[C@@H]1C[C@]12CCc1ccccc12)C(=O)N1CCS(=O)(=O)CC1 ZINC000744131069 1198306397 /nfs/dbraw/zinc/30/63/97/1198306397.db2.gz RYYVRLZNUYFIFT-ALKREAHSSA-N 0 3 372.446 0.856 20 30 FCEDHN C#CCNC(=O)CC(=O)N[C@@H]1CN(CCCc2ccccc2C)C[C@@H]1O ZINC001219492538 1224487242 /nfs/dbraw/zinc/48/72/42/1224487242.db2.gz POVIEFYKCYESCW-MSOLQXFVSA-N 0 3 357.454 0.228 20 30 FCEDHN C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CC(CC#N)C1 ZINC001169195832 1199052324 /nfs/dbraw/zinc/05/23/24/1199052324.db2.gz NLCBQTZBDGLODO-ZDUSSCGKSA-N 0 3 358.446 0.838 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)CNC(=O)CCC(C)C)[C@@H](n2ccnn2)C1 ZINC001129337637 1199078606 /nfs/dbraw/zinc/07/86/06/1199078606.db2.gz QUIDCRVPZDZZHI-CVEARBPZSA-N 0 3 362.478 0.748 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)CC(=O)NCC2CC2)[C@@H](n2ccnn2)C1 ZINC001129381043 1200040562 /nfs/dbraw/zinc/04/05/62/1200040562.db2.gz HVCCPDLOOBNZST-CVEARBPZSA-N 0 3 360.462 0.502 20 30 FCEDHN CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N(CC)CCC#N)N(C)C ZINC001109446492 1200291790 /nfs/dbraw/zinc/29/17/90/1200291790.db2.gz RJWCCDKEZGDYKQ-TWMKSMIVSA-N 0 3 363.506 0.810 20 30 FCEDHN CN(C)[C@@H](C(=O)N[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@@H]1O)C1CC1 ZINC001219803792 1224622980 /nfs/dbraw/zinc/62/29/80/1224622980.db2.gz GBICUDQYVIBLAW-FGTMMUONSA-N 0 3 360.433 0.699 20 30 FCEDHN CC(C)[C@H](C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O)N1CCCC1 ZINC001090432312 1200694857 /nfs/dbraw/zinc/69/48/57/1200694857.db2.gz BLTZJSFBDIRAFQ-BFYDXBDKSA-N 0 3 358.446 0.134 20 30 FCEDHN CCOC(=O)CON=C(C(=O)N1CC[C@@H](c2nccn2C)C1)c1cc[nH]n1 ZINC000772434977 1200741222 /nfs/dbraw/zinc/74/12/22/1200741222.db2.gz SNZOIMRIISWCHW-GFCCVEGCSA-N 0 3 374.401 0.443 20 30 FCEDHN C#C[C@H](NC(=O)C(=O)NCCCN1CCc2ccccc2C1)[C@@H]1CCCO1 ZINC000787713281 1200899943 /nfs/dbraw/zinc/89/99/43/1200899943.db2.gz WVWMXPFYNLJLTB-OALUTQOASA-N 0 3 369.465 0.848 20 30 FCEDHN C[C@@H](CNC(=O)C(=O)NCCNc1ncccc1C#N)N1CCC[C@H](C)C1 ZINC000787775837 1200908434 /nfs/dbraw/zinc/90/84/34/1200908434.db2.gz BNMUDQLXALBQOR-GJZGRUSLSA-N 0 3 372.473 0.718 20 30 FCEDHN CCCCCCN(C)CC(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O ZINC001090461623 1201192907 /nfs/dbraw/zinc/19/29/07/1201192907.db2.gz KHJRZELPPTWDCL-HZPDHXFCSA-N 0 3 360.462 0.526 20 30 FCEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001086609617 1201217444 /nfs/dbraw/zinc/21/74/44/1201217444.db2.gz OSGBYELKKBLDGW-XWTMOSNGSA-N 0 3 355.438 0.627 20 30 FCEDHN C#CCN1CCN(C(=O)CN[C@@H](C)[C@H](Cc2ccccc2)C(=O)OC)CC1 ZINC000792935929 1201219163 /nfs/dbraw/zinc/21/91/63/1201219163.db2.gz SGKKEJJWGJSDNL-HKUYNNGSSA-N 0 3 371.481 0.774 20 30 FCEDHN C#CCN1CCN(C(=O)CN[C@@H](C)[C@@H](Cc2ccccc2)C(=O)OC)CC1 ZINC000792935934 1201219621 /nfs/dbraw/zinc/21/96/21/1201219621.db2.gz SGKKEJJWGJSDNL-PKOBYXMFSA-N 0 3 371.481 0.774 20 30 FCEDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCNc1ccc(C#N)cn1 ZINC000793900121 1201278019 /nfs/dbraw/zinc/27/80/19/1201278019.db2.gz FTLJVEZXKDSERA-LSDHHAIUSA-N 0 3 372.473 0.718 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001129396795 1201295695 /nfs/dbraw/zinc/29/56/95/1201295695.db2.gz MGNLBLPMZQXDOP-CVEARBPZSA-N 0 3 362.478 0.844 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129428476 1201304115 /nfs/dbraw/zinc/30/41/15/1201304115.db2.gz ZOFMRFHFWZGJCX-CABCVRRESA-N 0 3 362.478 0.748 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)CCCC(=O)NCCC)[C@@H](n2ccnn2)C1 ZINC001129400640 1201305685 /nfs/dbraw/zinc/30/56/85/1201305685.db2.gz VYBJSTNDXBLAHY-CVEARBPZSA-N 0 3 362.478 0.892 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)CCCC(=O)NC(C)C)[C@@H](n2ccnn2)C1 ZINC001129400703 1201306497 /nfs/dbraw/zinc/30/64/97/1201306497.db2.gz XPUKBKWIPYYUPW-CVEARBPZSA-N 0 3 362.478 0.891 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H]2CCC(=O)N(C)C2)[C@@H](n2ccnn2)C1 ZINC001129470620 1201319914 /nfs/dbraw/zinc/31/99/14/1201319914.db2.gz MAUVOVLHONTPIM-OAGGEKHMSA-N 0 3 360.462 0.454 20 30 FCEDHN C=CCO[C@@H](C)C(=O)N[C@@H]1CN(CC2CCOCC2)C[C@@H]1n1ccnn1 ZINC001129482385 1201325905 /nfs/dbraw/zinc/32/59/05/1201325905.db2.gz VJXFVUXHLDKWNO-UAGQMJEPSA-N 0 3 363.462 0.637 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)COC[C@@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001129497032 1201336044 /nfs/dbraw/zinc/33/60/44/1201336044.db2.gz YOVKRMXJUKTNNZ-BBWFWOEESA-N 0 3 363.462 0.781 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)CCn2cccn2)C[C@@H]1n1ccnn1 ZINC001129589583 1201354902 /nfs/dbraw/zinc/35/49/02/1201354902.db2.gz PXZRBVNRSWUSFJ-CVEARBPZSA-N 0 3 359.434 0.109 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2nccn2CC)C[C@@H]1n1ccnn1 ZINC001129803670 1201397739 /nfs/dbraw/zinc/39/77/39/1201397739.db2.gz XXSJUFIULARMEZ-CABCVRRESA-N 0 3 359.434 0.352 20 30 FCEDHN CC(C)C#CC(=O)N1C[C@@H](NCc2ccn(C)c(=O)c2)[C@@H](n2ccnn2)C1 ZINC001129824995 1201402249 /nfs/dbraw/zinc/40/22/49/1201402249.db2.gz JWIKTPINOKQJCW-SJORKVTESA-N 0 3 368.441 0.178 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1C[C@@H](NCCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001129830164 1201403769 /nfs/dbraw/zinc/40/37/69/1201403769.db2.gz WMJFDKUIPJZMJZ-OIISXLGYSA-N 0 3 361.446 0.085 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1n1ccnn1 ZINC001129887907 1201413725 /nfs/dbraw/zinc/41/37/25/1201413725.db2.gz WSNPYTWOIMBCPA-CABCVRRESA-N 0 3 367.425 0.341 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2onc(C)c2C)C[C@@H]1n1ccnn1 ZINC001129902382 1201433781 /nfs/dbraw/zinc/43/37/81/1201433781.db2.gz INBPFOOLVXJXGL-CABCVRRESA-N 0 3 360.418 0.741 20 30 FCEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2cnc3ccc(OC)nn32)[C@@H](O)C1 ZINC001219897151 1224673975 /nfs/dbraw/zinc/67/39/75/1224673975.db2.gz ZOQGRYDNHIWVSU-NFAWXSAZSA-N 0 3 359.430 0.868 20 30 FCEDHN C=CCC1(C(=O)N2C[C@@H](NCCOCCO)[C@@H](n3ccnn3)C2)CCC1 ZINC001129994548 1201465188 /nfs/dbraw/zinc/46/51/88/1201465188.db2.gz UGDSESKSLBVVAU-CVEARBPZSA-N 0 3 363.462 0.375 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)[C@@H](CC(C)C)OC)C[C@@H]1n1ccnn1 ZINC001130000775 1201467691 /nfs/dbraw/zinc/46/76/91/1201467691.db2.gz NXSAGNMMQOFBDG-IXDOHACOSA-N 0 3 365.478 0.883 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCn3c(C)ncc3C2)C[C@@H]1n1ccnn1 ZINC001130007246 1201476730 /nfs/dbraw/zinc/47/67/30/1201476730.db2.gz GIGYTEAYRPUZOG-NXHRZFHOSA-N 0 3 367.457 0.410 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C2(C(=O)N(C)C(C)C)CC2)C[C@@H]1n1ccnn1 ZINC001130062375 1201488011 /nfs/dbraw/zinc/48/80/11/1201488011.db2.gz CAAVNEFPEYPSHO-CABCVRRESA-N 0 3 360.462 0.453 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cnn(CCOCC)c2)C[C@@H]1n1ccnn1 ZINC001130062684 1201488673 /nfs/dbraw/zinc/48/86/73/1201488673.db2.gz RIMUWCVMVLQUMW-CVEARBPZSA-N 0 3 359.434 0.352 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCc3nc[nH]c3C2)C[C@@H]1n1ccnn1 ZINC001130077433 1201495492 /nfs/dbraw/zinc/49/54/92/1201495492.db2.gz INFHZSUGRKZRLV-XYPHTWIQSA-N 0 3 353.430 0.171 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]cnc3C2)C[C@@H]1n1ccnn1 ZINC001130077433 1201495498 /nfs/dbraw/zinc/49/54/98/1201495498.db2.gz INFHZSUGRKZRLV-XYPHTWIQSA-N 0 3 353.430 0.171 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2cccn2CC)C[C@@H]1n1ccnn1 ZINC001130122984 1201511265 /nfs/dbraw/zinc/51/12/65/1201511265.db2.gz FXRLZTVSHMYTMF-WBVHZDCISA-N 0 3 358.446 0.957 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccncc2F)[n-]1 ZINC001130195824 1201532072 /nfs/dbraw/zinc/53/20/72/1201532072.db2.gz DXZZBTNLSHVVOD-JSGCOSHPSA-N 0 3 358.377 0.364 20 30 FCEDHN CC=C(C)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#CCOC)[n-]1 ZINC001130196003 1201532838 /nfs/dbraw/zinc/53/28/38/1201532838.db2.gz NJNCKERXJIIPNS-AFHMWFTHSA-N 0 3 361.446 0.499 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H]2CCCCO2)[n-]1 ZINC001130198438 1201533563 /nfs/dbraw/zinc/53/35/63/1201533563.db2.gz LEYMJAVVFQKUMP-ILXRZTDVSA-N 0 3 361.446 0.475 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(F)cn2)[n-]1 ZINC001130203253 1201539598 /nfs/dbraw/zinc/53/95/98/1201539598.db2.gz VJRIFASDUNECOR-JSGCOSHPSA-N 0 3 358.377 0.364 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCCOCC2)[n-]1 ZINC001130207607 1201541456 /nfs/dbraw/zinc/54/14/56/1201541456.db2.gz IWWCFIUPLROYOX-ILXRZTDVSA-N 0 3 361.446 0.333 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2nc(CC)c[nH]2)[n-]1 ZINC001130215942 1201546682 /nfs/dbraw/zinc/54/66/82/1201546682.db2.gz JDHRZRVIGNMGEA-KBPBESRZSA-N 0 3 371.445 0.044 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2C=CC=CC=C2)[n-]1 ZINC001130216143 1201547187 /nfs/dbraw/zinc/54/71/87/1201547187.db2.gz NSZYEAHWTSFIOY-HOTGVXAUSA-N 0 3 353.426 0.815 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)n2cccc2)[n-]1 ZINC001130200131 1201548064 /nfs/dbraw/zinc/54/80/64/1201548064.db2.gz AZJLUVNPOWYOFK-ILXRZTDVSA-N 0 3 356.430 0.579 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C#N)[nH]2)[n-]1 ZINC001130200555 1201549153 /nfs/dbraw/zinc/54/91/53/1201549153.db2.gz PYXHOPKSFAAVMC-JSGCOSHPSA-N 0 3 353.386 0.030 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cncnc2)[n-]1 ZINC001130202902 1201550041 /nfs/dbraw/zinc/55/00/41/1201550041.db2.gz NTMKLNHAEFJZQZ-KBPBESRZSA-N 0 3 355.402 0.010 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccn(C)c2C)[n-]1 ZINC001130232437 1201556864 /nfs/dbraw/zinc/55/68/64/1201556864.db2.gz HMDADVMSPSHOGC-HOTGVXAUSA-N 0 3 370.457 0.867 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2conc2C2CC2)[n-]1 ZINC001130234947 1201559564 /nfs/dbraw/zinc/55/95/64/1201559564.db2.gz QMUCIOHMSVJAOV-JSGCOSHPSA-N 0 3 370.413 0.695 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)nn2CC)[n-]1 ZINC001130240664 1201561782 /nfs/dbraw/zinc/56/17/82/1201561782.db2.gz YLQUBBPBQPQGFB-ZFWWWQNUSA-N 0 3 371.445 0.355 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C)[nH]c2=O)[n-]1 ZINC001130242107 1201562686 /nfs/dbraw/zinc/56/26/86/1201562686.db2.gz FSTQNGROSQVNGX-JSGCOSHPSA-N 0 3 370.413 0.239 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(OC)o2)[n-]1 ZINC001130244338 1201563819 /nfs/dbraw/zinc/56/38/19/1201563819.db2.gz HMUCLBIDVNIOSQ-AAEUAGOBSA-N 0 3 359.386 0.432 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCn2ccnc2)[n-]1 ZINC001130253696 1201571021 /nfs/dbraw/zinc/57/10/21/1201571021.db2.gz KRAFWZCVPCSDOR-GJZGRUSLSA-N 0 3 371.445 0.193 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)COCCOC)CC1 ZINC001130279039 1201576167 /nfs/dbraw/zinc/57/61/67/1201576167.db2.gz QXZDSIOLKUNCHI-APWZRJJASA-N 0 3 365.474 0.148 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](COC)OC)CC1 ZINC001130302191 1201580575 /nfs/dbraw/zinc/58/05/75/1201580575.db2.gz QHWROEHLBBYDCH-RYRKJORJSA-N 0 3 365.474 0.147 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)OCCOC)CC1 ZINC001130304844 1201581277 /nfs/dbraw/zinc/58/12/77/1201581277.db2.gz BZHVMKHHMZPJJB-LESCRADOSA-N 0 3 367.490 0.699 20 30 FCEDHN C=C[C@H](O)CN1CCC2(CC1)C(=O)N([C@H](C)C(C)=O)C[C@@H]2C(=O)OCC ZINC001276809149 1224685149 /nfs/dbraw/zinc/68/51/49/1224685149.db2.gz AHKWYYWTAQMTLM-VNQPRFMTSA-N 0 3 366.458 0.615 20 30 FCEDHN C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCCN2CCCC2=O)C1 ZINC001130573958 1202721046 /nfs/dbraw/zinc/72/10/46/1202721046.db2.gz ILVOCVOOCNMFJA-FUHWJXTLSA-N 0 3 371.485 0.730 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CNC(=O)N2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130587376 1202724292 /nfs/dbraw/zinc/72/42/92/1202724292.db2.gz LSANURSZPKYFKR-GOEBONIOSA-N 0 3 360.462 0.296 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CNC(=O)c2ccoc2C)C[C@H]1c1cn(C)cn1 ZINC001130599032 1202728310 /nfs/dbraw/zinc/72/83/10/1202728310.db2.gz DRZRVZMHFIHGCB-DOTOQJQBSA-N 0 3 371.441 0.822 20 30 FCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1ccon1 ZINC000806391736 1202731361 /nfs/dbraw/zinc/73/13/61/1202731361.db2.gz FBJYZZKPUBWOED-UHFFFAOYSA-N 0 3 355.398 0.753 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@H]1c1cn(C)cn1 ZINC001130675398 1202752811 /nfs/dbraw/zinc/75/28/11/1202752811.db2.gz SWVWFAPELXMUFP-XLMAVXFVSA-N 0 3 366.469 0.865 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(=O)[nH]n3)n[n-]2)O1 ZINC001130753132 1202776527 /nfs/dbraw/zinc/77/65/27/1202776527.db2.gz SEOUBNITOGZZEU-WCQYABFASA-N 0 3 371.401 0.063 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)n3cccn3)n[n-]2)O1 ZINC001130761607 1202777891 /nfs/dbraw/zinc/77/78/91/1202777891.db2.gz CPCAOEBYMZKMLL-SOUVJXGZSA-N 0 3 371.445 0.712 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@H](C)n3cccn3)n2)O1 ZINC001130761607 1202777892 /nfs/dbraw/zinc/77/78/92/1202777892.db2.gz CPCAOEBYMZKMLL-SOUVJXGZSA-N 0 3 371.445 0.712 20 30 FCEDHN CC[C@H](C)C(=O)NCc1n[n-]c([C@H]2CC[C@@H](C[NH2+]CC#CCOC)O2)n1 ZINC001130757672 1202780211 /nfs/dbraw/zinc/78/02/11/1202780211.db2.gz FPNSIVGCZSTMHX-SOUVJXGZSA-N 0 3 363.462 0.927 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C(=O)C(C)(C)C)n[n-]2)O1 ZINC001130772124 1202787461 /nfs/dbraw/zinc/78/74/61/1202787461.db2.gz AERFRXAFFGTFEE-QWHCGFSZSA-N 0 3 361.446 0.869 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)C(=O)C(C)(C)C)n2)O1 ZINC001130772124 1202787463 /nfs/dbraw/zinc/78/74/63/1202787463.db2.gz AERFRXAFFGTFEE-QWHCGFSZSA-N 0 3 361.446 0.869 20 30 FCEDHN O=C(C#CC1CC1)NCc1n[nH]c([C@H]2CC[C@@H](CNCc3cnon3)O2)n1 ZINC001130785223 1202788886 /nfs/dbraw/zinc/78/88/86/1202788886.db2.gz GMCLSQLOHNNFQL-UONOGXRCSA-N 0 3 371.401 0.227 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NCc1n[n-]c([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n1 ZINC001130785556 1202789499 /nfs/dbraw/zinc/78/94/99/1202789499.db2.gz UWSSTKHQVADQBI-SOUVJXGZSA-N 0 3 359.430 0.292 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n[n-]1 ZINC001130785556 1202789502 /nfs/dbraw/zinc/78/95/02/1202789502.db2.gz UWSSTKHQVADQBI-SOUVJXGZSA-N 0 3 359.430 0.292 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)n3cccc3)n[n-]2)O1 ZINC001130776361 1202790026 /nfs/dbraw/zinc/79/00/26/1202790026.db2.gz AMMOLYPHKAOOHG-SOUVJXGZSA-N 0 3 356.430 0.927 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@H](C)n3cccc3)n2)O1 ZINC001130776361 1202790027 /nfs/dbraw/zinc/79/00/27/1202790027.db2.gz AMMOLYPHKAOOHG-SOUVJXGZSA-N 0 3 356.430 0.927 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)NCc1n[n-]c([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n1 ZINC001130778077 1202791451 /nfs/dbraw/zinc/79/14/51/1202791451.db2.gz DYCKNOGXTMJJNJ-PMUMKWKESA-N 0 3 361.446 0.581 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n[n-]1 ZINC001130778077 1202791454 /nfs/dbraw/zinc/79/14/54/1202791454.db2.gz DYCKNOGXTMJJNJ-PMUMKWKESA-N 0 3 361.446 0.581 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccnn3CCC)n[n-]2)O1 ZINC001130787494 1202797357 /nfs/dbraw/zinc/79/73/57/1202797357.db2.gz VHFOWCWUPZMANH-DZGCQCFKSA-N 0 3 371.445 0.784 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3ccnn3CCC)n2)O1 ZINC001130787494 1202797361 /nfs/dbraw/zinc/79/73/61/1202797361.db2.gz VHFOWCWUPZMANH-DZGCQCFKSA-N 0 3 371.445 0.784 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccnnc3C)n[n-]2)O1 ZINC001130790297 1202798474 /nfs/dbraw/zinc/79/84/74/1202798474.db2.gz RVHIBMRFNHPZBB-GXTWGEPZSA-N 0 3 355.402 0.276 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3ccnnc3C)n2)O1 ZINC001130790297 1202798477 /nfs/dbraw/zinc/79/84/77/1202798477.db2.gz RVHIBMRFNHPZBB-GXTWGEPZSA-N 0 3 355.402 0.276 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cccnc3C)n[n-]2)O1 ZINC001130804262 1202800796 /nfs/dbraw/zinc/80/07/96/1202800796.db2.gz BDOQLXUBQPHRDU-DZGCQCFKSA-N 0 3 354.414 0.881 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cccnc3C)n2)O1 ZINC001130804262 1202800798 /nfs/dbraw/zinc/80/07/98/1202800798.db2.gz BDOQLXUBQPHRDU-DZGCQCFKSA-N 0 3 354.414 0.881 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnn(CCC)c3)n[n-]2)O1 ZINC001130811656 1202804314 /nfs/dbraw/zinc/80/43/14/1202804314.db2.gz CEQNDRMTQXORDO-LSDHHAIUSA-N 0 3 371.445 0.784 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cnn(CCC)c3)n2)O1 ZINC001130811656 1202804316 /nfs/dbraw/zinc/80/43/16/1202804316.db2.gz CEQNDRMTQXORDO-LSDHHAIUSA-N 0 3 371.445 0.784 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCc3cnn(C)c3)n[n-]2)O1 ZINC001130820571 1202809904 /nfs/dbraw/zinc/80/99/04/1202809904.db2.gz YOPZKKKFSKXMPK-LSDHHAIUSA-N 0 3 371.445 0.230 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)CCc3cnn(C)c3)n2)O1 ZINC001130820571 1202809907 /nfs/dbraw/zinc/80/99/07/1202809907.db2.gz YOPZKKKFSKXMPK-LSDHHAIUSA-N 0 3 371.445 0.230 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1c1cncn1C ZINC001130915166 1202822432 /nfs/dbraw/zinc/82/24/32/1202822432.db2.gz AJWVILJTHKHXIS-UMVBOHGHSA-N 0 3 371.445 0.032 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1c1cncn1C ZINC001130915166 1202822434 /nfs/dbraw/zinc/82/24/34/1202822434.db2.gz AJWVILJTHKHXIS-UMVBOHGHSA-N 0 3 371.445 0.032 20 30 FCEDHN CCCC[C@H](N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1c1cncn1C)C(N)=O ZINC001130985710 1202839715 /nfs/dbraw/zinc/83/97/15/1202839715.db2.gz MEWGFQOJHKDPQF-IXDOHACOSA-N 0 3 371.485 0.762 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2cn(C)nc2CC)C[C@H]1c1cncn1C ZINC001131012415 1202844822 /nfs/dbraw/zinc/84/48/22/1202844822.db2.gz ICUGZDUJTPWYDH-RHSMWYFYSA-N 0 3 354.458 0.937 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)C2CCC(C(N)=O)CC2)C[C@H]1c1cncn1C ZINC001131020648 1202846610 /nfs/dbraw/zinc/84/66/10/1202846610.db2.gz ZXELTQHKXCYBKW-BHUNQDJPSA-N 0 3 371.485 0.619 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2ncnc3[nH]ccc32)C[C@H]1c1cncn1C ZINC001131023226 1202847321 /nfs/dbraw/zinc/84/73/21/1202847321.db2.gz SNDYGRGIFCCXJV-HUUCEWRRSA-N 0 3 363.425 0.864 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@H]2CCCN(C(C)=O)C2)C[C@H]1c1cncn1C ZINC001131025996 1202847586 /nfs/dbraw/zinc/84/75/86/1202847586.db2.gz OFJODYXUALDBLW-RCCFBDPRSA-N 0 3 371.485 0.586 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2ccnc(OC)n2)C[C@H]1c1cncn1C ZINC001131028732 1202848734 /nfs/dbraw/zinc/84/87/34/1202848734.db2.gz FXAGGEPXKICCDN-UKRRQHHQSA-N 0 3 354.414 0.440 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2ccoc2CC(N)=O)C[C@H]1c1cncn1C ZINC001131053799 1202854550 /nfs/dbraw/zinc/85/45/50/1202854550.db2.gz AYHGZEMYBKGEFK-HUUCEWRRSA-N 0 3 369.425 0.262 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCCc3nn[nH]c32)C[C@H]1c1cncn1C ZINC001131055816 1202855082 /nfs/dbraw/zinc/85/50/82/1202855082.db2.gz 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N#Cc1ccc(CNCCNC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)cc1F ZINC001131488937 1202901381 /nfs/dbraw/zinc/90/13/81/1202901381.db2.gz ZMMATZTWSNQLAX-ZBFHGGJFSA-N 0 3 362.405 0.716 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc[nH]c2)CC1 ZINC001131502673 1202904319 /nfs/dbraw/zinc/90/43/19/1202904319.db2.gz KHMWMHACLXBEGY-AEFFLSMTSA-N 0 3 358.442 0.363 20 30 FCEDHN C=C(C)[C@@H](CC(=O)N1CCC([C@@H]2OCC[C@H]2NCC(N)=O)CC1)OCC ZINC001131510589 1202905024 /nfs/dbraw/zinc/90/50/24/1202905024.db2.gz RMGUDHPKPIEGOJ-MDZRGWNJSA-N 0 3 367.490 0.829 20 30 FCEDHN C=CC(C)(C)C(=O)N1CCC([C@@H]2OCC[C@H]2NCC(=O)NC(N)=O)CC1 ZINC001131546348 1202912495 /nfs/dbraw/zinc/91/24/95/1202912495.db2.gz YNKSISZTSVGIMK-HIFRSBDPSA-N 0 3 366.462 0.379 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2CC)CC1 ZINC001131567198 1202915310 /nfs/dbraw/zinc/91/53/10/1202915310.db2.gz DGCPXBQSUXDQLM-MYZZLAAOSA-N 0 3 361.486 0.768 20 30 FCEDHN NC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)CC#Cc2ccccc2)CC1 ZINC001131607027 1202920062 /nfs/dbraw/zinc/92/00/62/1202920062.db2.gz TUESUOOGZKMNNV-NQIIRXRSSA-N 0 3 369.465 0.899 20 30 FCEDHN COc1ccc(CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)cc1C#N ZINC000809502029 1202931218 /nfs/dbraw/zinc/93/12/18/1202931218.db2.gz ZODHRKWVYWRJRX-MRXNPFEDSA-N 0 3 356.426 0.880 20 30 FCEDHN COCCN(CCN(C)C)C(=O)C(=O)NCc1ccc(OC)c(C#N)c1 ZINC000809503889 1202931323 /nfs/dbraw/zinc/93/13/23/1202931323.db2.gz MCHHFEHVTCNPDT-UHFFFAOYSA-N 0 3 362.430 0.220 20 30 FCEDHN C#CCNC(=O)C1CCN(C[C@@H](O)COc2ccc(NC(C)=O)cc2)CC1 ZINC000747818550 1202985939 /nfs/dbraw/zinc/98/59/39/1202985939.db2.gz VHLQOFATJVJRCF-GOSISDBHSA-N 0 3 373.453 0.846 20 30 FCEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001135067728 1203039709 /nfs/dbraw/zinc/03/97/09/1203039709.db2.gz JZUQIBBGIICHJX-QEJZJMRPSA-N 0 3 366.462 0.440 20 30 FCEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCN[C@H](C)C(=O)NCCCOCC ZINC001135068049 1203040048 /nfs/dbraw/zinc/04/00/48/1203040048.db2.gz YNRJJDPMCDEIDA-IKGGRYGDSA-N 0 3 369.506 0.995 20 30 FCEDHN C=CCNC(=O)NC(=O)CNCCNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001135095385 1203042307 /nfs/dbraw/zinc/04/23/07/1203042307.db2.gz GDRLQTPKZPZIEI-BEFAXECRSA-N 0 3 358.442 0.898 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC001135148036 1203047556 /nfs/dbraw/zinc/04/75/56/1203047556.db2.gz ZTAJGXBWJOUZQX-IHRRRGAJSA-N 0 3 368.478 0.686 20 30 FCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000815860499 1203055062 /nfs/dbraw/zinc/05/50/62/1203055062.db2.gz OCVOJRWEXSCGGD-UHFFFAOYSA-N 0 3 356.426 0.823 20 30 FCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(C)c(N2CCNC2=O)c1 ZINC000815860775 1203055310 /nfs/dbraw/zinc/05/53/10/1203055310.db2.gz ZYSOUQWRIAEXFT-UHFFFAOYSA-N 0 3 371.441 0.534 20 30 FCEDHN C#CCN(C)CCCNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000818612230 1203141384 /nfs/dbraw/zinc/14/13/84/1203141384.db2.gz OSEBLMDKLILFND-MRXNPFEDSA-N 0 3 371.437 0.882 20 30 FCEDHN C#CCN(C)CCCNC(=O)[C@H](Cc1ccc(F)cc1)n1nnnc1C ZINC000818602790 1203143243 /nfs/dbraw/zinc/14/32/43/1203143243.db2.gz FMADZBLMQLRXSB-KRWDZBQOSA-N 0 3 358.421 0.976 20 30 FCEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC000818595987 1203143302 /nfs/dbraw/zinc/14/33/02/1203143302.db2.gz YAEUHAYAEWUIQQ-HNNXBMFYSA-N 0 3 359.430 0.248 20 30 FCEDHN C=CC[C@@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)c1ccncc1 ZINC000805809909 1203246044 /nfs/dbraw/zinc/24/60/44/1203246044.db2.gz ZROKEFCWHLFERN-QGZVFWFLSA-N 0 3 373.501 0.957 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1c1ccc(OC)cc1 ZINC001090870287 1203321262 /nfs/dbraw/zinc/32/12/62/1203321262.db2.gz CSUSAIBXUJYMKQ-JKSUJKDBSA-N 0 3 355.394 0.818 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@H]1c1ccc(OC)cc1 ZINC001090876800 1203327800 /nfs/dbraw/zinc/32/78/00/1203327800.db2.gz AUMJZQZKASOTTA-BBWFWOEESA-N 0 3 356.426 0.236 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)C[C@H]1c1ccc(OC)cc1 ZINC001090888671 1203333272 /nfs/dbraw/zinc/33/32/72/1203333272.db2.gz SEMYEDZJADQVMP-BHYGNILZSA-N 0 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C#CCN[C@@H]1CN(C(=O)c2ncc(C)cc2OC)C[C@H]1c1cnn(C)c1 ZINC001086982984 1204878498 /nfs/dbraw/zinc/87/84/98/1204878498.db2.gz PBEDJVCWSVXONC-JKSUJKDBSA-N 0 3 353.426 0.963 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CCCO2)C[C@H]1c1cnn(C)c1 ZINC001086992684 1204884241 /nfs/dbraw/zinc/88/42/41/1204884241.db2.gz KCCBKMMVLSKUNC-BBWFWOEESA-N 0 3 368.441 0.826 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C)C2)C[C@H]1c1cnn(C)c1 ZINC001087000514 1204889164 /nfs/dbraw/zinc/88/91/64/1204889164.db2.gz AGHZLOSJIRIGNL-BHYGNILZSA-N 0 3 359.474 0.749 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)C[C@@H](C)N2CCCC2=O)C[C@H]1c1cnn(C)c1 ZINC001087005740 1204893226 /nfs/dbraw/zinc/89/32/26/1204893226.db2.gz SAVAYMBPUBTZDH-HYVNUMGLSA-N 0 3 357.458 0.338 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cccc(NC(N)=O)c2)C[C@H]1c1cnn(C)c1 ZINC001087009236 1204896785 /nfs/dbraw/zinc/89/67/85/1204896785.db2.gz WZHUKFGSXNFTSA-DLBZAZTESA-N 0 3 366.425 0.742 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)Cc2ccc(C(N)=O)cc2)C[C@H]1c1cnn(C)c1 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C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH]ncc43)[C@@H]2C1 ZINC001221553114 1225363955 /nfs/dbraw/zinc/36/39/55/1225363955.db2.gz RHZDWHGTFRLOLT-JKIFEVAISA-N 0 3 355.442 0.112 20 30 FCEDHN C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)Cc3[nH]cnc3C)C2)CC1 ZINC000949864646 1212474048 /nfs/dbraw/zinc/47/40/48/1212474048.db2.gz AMWCYSBSBZGYPB-RDTXWAMCSA-N 0 3 371.485 0.569 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC000950003487 1212500614 /nfs/dbraw/zinc/50/06/14/1212500614.db2.gz CGYNUHQNWXBILG-BDXSIMOUSA-N 0 3 362.518 0.633 20 30 FCEDHN C#CCN1CCC(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC000950431966 1212574862 /nfs/dbraw/zinc/57/48/62/1212574862.db2.gz LENLFBQGWVOFJZ-CADBVGFASA-N 0 3 373.497 0.864 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCN(C(=O)[C@]34C[C@H]3COC4)C2)CC1 ZINC000951043579 1212743186 /nfs/dbraw/zinc/74/31/86/1212743186.db2.gz JNDSEAMTMZKMQX-QKLQHJQFSA-N 0 3 359.470 0.475 20 30 FCEDHN C#CCN1CCC(C(=O)NC[C@]23CCC[C@H]2CN(C(=O)COC)C3)CC1 ZINC001008949360 1212778125 /nfs/dbraw/zinc/77/81/25/1212778125.db2.gz HHNYFHYZCVDIIJ-PXNSSMCTSA-N 0 3 361.486 0.723 20 30 FCEDHN N#CC(C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)C(=O)NC1CC1 ZINC000193461056 1212836397 /nfs/dbraw/zinc/83/63/97/1212836397.db2.gz CWWKVWMROOQSNW-HNNXBMFYSA-N 0 3 366.377 0.046 20 30 FCEDHN C#CCN1CCC(C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)CC1 ZINC000954501922 1213079851 /nfs/dbraw/zinc/07/98/51/1213079851.db2.gz OXHRTDOBVGVKPU-IAGOWNOFSA-N 0 3 369.469 0.528 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)c3cnc(C)n3C)C[C@H]2C)CC1 ZINC000958032672 1213376590 /nfs/dbraw/zinc/37/65/90/1213376590.db2.gz UQUQVEQCXRZRTI-RHSMWYFYSA-N 0 3 371.485 0.650 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)c3nocc3C)C[C@H]2C)CC1 ZINC000959635031 1213475999 /nfs/dbraw/zinc/47/59/99/1213475999.db2.gz OXKQIVNJWHWRED-CZUORRHYSA-N 0 3 358.442 0.905 20 30 FCEDHN CC[C@@H](C(=O)N1C[C@H]2OCCN(C(=O)c3ccc(C#N)[nH]3)[C@H]2C1)N(C)C ZINC000960259096 1213683530 /nfs/dbraw/zinc/68/35/30/1213683530.db2.gz MOYAMVRECYXOMZ-HRCADAONSA-N 0 3 359.430 0.278 20 30 FCEDHN C[C@@H]1CCCN1CC(=O)N1C[C@H]2OCCN(C(=O)c3ccc(C#N)[nH]3)[C@H]2C1 ZINC000960268616 1213687744 /nfs/dbraw/zinc/68/77/44/1213687744.db2.gz XFBJBPQJVHCKPG-XOKHGSTOSA-N 0 3 371.441 0.422 20 30 FCEDHN CC[C@@H](C(=O)N1CCO[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21)N(C)C ZINC000960661786 1213876223 /nfs/dbraw/zinc/87/62/23/1213876223.db2.gz FLLFYHVDSJSDCN-HRCADAONSA-N 0 3 359.430 0.278 20 30 FCEDHN C#CCNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)[C@@H]2C1 ZINC001221889779 1225523751 /nfs/dbraw/zinc/52/37/51/1225523751.db2.gz PSLIEFFODLKVQI-RCCFBDPRSA-N 0 3 360.502 0.389 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@@H]2C1 ZINC000962402600 1214554024 /nfs/dbraw/zinc/55/40/24/1214554024.db2.gz MVWBUWPUMNLBJY-SFFUCWETSA-N 0 3 361.486 0.836 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@]1(O)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001040953743 1214638416 /nfs/dbraw/zinc/63/84/16/1214638416.db2.gz OYHNXBSNOAIBJF-VKJFTORMSA-N 0 3 365.474 0.141 20 30 FCEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)CCC(=O)NCCCOC)[C@@H]2C1 ZINC001221936836 1225542123 /nfs/dbraw/zinc/54/21/23/1225542123.db2.gz SRWVZEINZBSHJN-IAGOWNOFSA-N 0 3 367.490 0.655 20 30 FCEDHN CN(C)Cc1cccc(C(=O)N[C@@H]2CN(c3ccncc3C#N)C[C@H]2O)c1 ZINC001041061367 1214683488 /nfs/dbraw/zinc/68/34/88/1214683488.db2.gz PGXWBHZUUATWSA-IEBWSBKVSA-N 0 3 365.437 0.994 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(c3ccnc(C(C)C)n3)C[C@H]2O)CC1 ZINC001041062105 1214683642 /nfs/dbraw/zinc/68/36/42/1214683642.db2.gz WXNDBWDIEWASMF-IAGOWNOFSA-N 0 3 371.485 0.611 20 30 FCEDHN CN(C)Cc1ccccc1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O ZINC001041065896 1214685948 /nfs/dbraw/zinc/68/59/48/1214685948.db2.gz BRQOYPGNDKMIBU-IAGOWNOFSA-N 0 3 366.425 0.389 20 30 FCEDHN C#Cc1cncc(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCCN3C(C)C)[C@@H](O)C2)c1 ZINC000963076785 1214727996 /nfs/dbraw/zinc/72/79/96/1214727996.db2.gz WTZFZKGKWAPALS-SQNIBIBYSA-N 0 3 370.453 0.237 20 30 FCEDHN C#Cc1cncc(C(=O)N2C[C@@H](NC(=O)[C@H]3CCCN3C(C)C)[C@@H](O)C2)c1 ZINC000963076784 1214728455 /nfs/dbraw/zinc/72/84/55/1214728455.db2.gz WTZFZKGKWAPALS-KURKYZTESA-N 0 3 370.453 0.237 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1O ZINC000964615536 1214987071 /nfs/dbraw/zinc/98/70/71/1214987071.db2.gz XSEWEHCMWBZEQI-NCOADZHNSA-N 0 3 365.474 0.140 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)c3ccc(C)cc3)C[C@@H]2O)CC1 ZINC000966004254 1215159414 /nfs/dbraw/zinc/15/94/14/1215159414.db2.gz GOCWOOIXVVQJES-MOPGFXCFSA-N 0 3 369.465 0.642 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)c3ncccc3C)C[C@@H]2O)CC1 ZINC000966004196 1215159526 /nfs/dbraw/zinc/15/95/26/1215159526.db2.gz GCQZHXQAXXRTIF-SJORKVTESA-N 0 3 370.453 0.037 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC=CCC3)C[C@@H]2O)CC1 ZINC000966004640 1215159612 /nfs/dbraw/zinc/15/96/12/1215159612.db2.gz NZFAMMVBYOVTGT-KURKYZTESA-N 0 3 359.470 0.376 20 30 FCEDHN C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@@H]1O ZINC000967207368 1215210409 /nfs/dbraw/zinc/21/04/09/1215210409.db2.gz HBMXHYFWBJTJEL-PVAVHDDUSA-N 0 3 360.458 0.316 20 30 FCEDHN C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]1O ZINC000967208515 1215210976 /nfs/dbraw/zinc/21/09/76/1215210976.db2.gz QUEZRQXMJIIULM-HYVNUMGLSA-N 0 3 362.474 0.562 20 30 FCEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)Cc3nc(C4CC4)nn3C)[C@@H]2C1 ZINC001222035192 1225584220 /nfs/dbraw/zinc/58/42/20/1225584220.db2.gz ZXAYMSRMIXMCNP-HZPDHXFCSA-N 0 3 359.474 0.970 20 30 FCEDHN CC(C)C#CC(=O)N1CC[C@H]2CCN(C[C@H](O)CN3CCCC3=O)[C@H]2C1 ZINC001222652007 1225642551 /nfs/dbraw/zinc/64/25/51/1225642551.db2.gz QHHBHXWUEMTHEO-SQNIBIBYSA-N 0 3 361.486 0.552 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1cn([C@@H]2CCN(CCOC)C2)nn1 ZINC001000029149 1215998659 /nfs/dbraw/zinc/99/86/59/1215998659.db2.gz GQLJTDKGURJUQC-IKGGRYGDSA-N 0 3 363.462 0.769 20 30 FCEDHN C=CCNC(=O)CN1CC[C@@H]2CCN(C(=O)[C@H](F)CN(CC)CC)C[C@@H]21 ZINC001222799408 1225653880 /nfs/dbraw/zinc/65/38/80/1225653880.db2.gz JEAVWJCLUSDFJG-ZACQAIPSSA-N 0 3 368.497 0.891 20 30 FCEDHN C[C@@H]1[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CCN1c1ccncc1C#N ZINC001051291558 1216427067 /nfs/dbraw/zinc/42/70/67/1216427067.db2.gz ZAXHQWOOMRLOIE-GTNXCBNBSA-N 0 3 367.453 0.900 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N(CCO)CCNC(=O)Cc1nc[nH]c1C ZINC001057733315 1216524441 /nfs/dbraw/zinc/52/44/41/1216524441.db2.gz IWRJOIBMZXURFO-ZBFHGGJFSA-N 0 3 364.446 0.179 20 30 FCEDHN C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)c3ccc4cncn4c3)C[C@@H]21 ZINC001223116528 1225682150 /nfs/dbraw/zinc/68/21/50/1225682150.db2.gz ZRIZYAVFMQQVQY-QAPCUYQASA-N 0 3 365.437 0.620 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H](C1CC1)N(C)C ZINC001057876771 1216598210 /nfs/dbraw/zinc/59/82/10/1216598210.db2.gz RMXGEZNBFGIPJH-BBWFWOEESA-N 0 3 367.490 0.245 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(CCO)C(=O)C1(N(C)C)CCC1 ZINC001057874974 1216598276 /nfs/dbraw/zinc/59/82/76/1216598276.db2.gz HDFJFBVHAIUPKM-HOTGVXAUSA-N 0 3 367.490 0.389 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)C[C@H](NC(=O)CN(C)C(C)C)CO2 ZINC001068901126 1216766739 /nfs/dbraw/zinc/76/67/39/1216766739.db2.gz GMKOQNBGDIDSFA-XHSDSOJGSA-N 0 3 365.474 0.404 20 30 FCEDHN N#Cc1c[nH]c(C(=O)N[C@@H]2CN(CC[C@@H]3CCOC3)C[C@@H]2n2ccnn2)c1 ZINC001069907730 1216833867 /nfs/dbraw/zinc/83/38/67/1216833867.db2.gz LSXJIJDBHPLEEH-XYPHTWIQSA-N 0 3 369.429 0.560 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)[C@@H]2CCCc3nccn32)[C@@H](n2ccnn2)C1 ZINC001069945594 1216858789 /nfs/dbraw/zinc/85/87/89/1216858789.db2.gz QMVYXLLWHCGAOP-PMPSAXMXSA-N 0 3 355.446 0.970 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)Cc2cnccc2OC)[C@@H](n2ccnn2)C1 ZINC001069958527 1216867080 /nfs/dbraw/zinc/86/70/80/1216867080.db2.gz IYDLDLSXCNPPRM-CVEARBPZSA-N 0 3 356.430 0.842 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001069958754 1216867686 /nfs/dbraw/zinc/86/76/86/1216867686.db2.gz LPMDDDYIYLWUNU-WCXIOVBPSA-N 0 3 362.478 0.305 20 30 FCEDHN C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006355 1216893811 /nfs/dbraw/zinc/89/38/11/1216893811.db2.gz RNHSSYCBTWRGRF-IKGGRYGDSA-N 0 3 362.478 0.305 20 30 FCEDHN C#CCCN1C[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)[C@@H](n2ccnn2)C1 ZINC001070045667 1216921211 /nfs/dbraw/zinc/92/12/11/1216921211.db2.gz NFXLWOGJDFVBBV-KURKYZTESA-N 0 3 358.490 0.907 20 30 FCEDHN C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C[C@@H]21 ZINC001223505436 1225711601 /nfs/dbraw/zinc/71/16/01/1225711601.db2.gz BWVXYTNHKVYABQ-SJORKVTESA-N 0 3 360.502 0.391 20 30 FCEDHN Cc1cc(C#N)nc(N2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)N3CCCC3)C2)n1 ZINC001041254937 1217257216 /nfs/dbraw/zinc/25/72/16/1217257216.db2.gz TWCGJFUIXPRURV-ZACQAIPSSA-N 0 3 370.457 0.197 20 30 FCEDHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@H]1O ZINC001041404675 1217315239 /nfs/dbraw/zinc/31/52/39/1217315239.db2.gz XNQWUMLTZJMTKJ-IXDOHACOSA-N 0 3 357.458 0.802 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@H]2OC)CC1 ZINC001042842799 1217480452 /nfs/dbraw/zinc/48/04/52/1217480452.db2.gz GFJGGQHNQLZCNH-IAGOWNOFSA-N 0 3 368.441 0.013 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(c3nc(C)cc(C)n3)C[C@H]2OC)CC1 ZINC001042843751 1217481623 /nfs/dbraw/zinc/48/16/23/1217481623.db2.gz YTIGPNQCQKDVEO-QZTJIDSGSA-N 0 3 371.485 0.758 20 30 FCEDHN CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)[C@@H]1CCCN1C(C)C ZINC001042893241 1217502611 /nfs/dbraw/zinc/50/26/11/1217502611.db2.gz FNNORFPOYVHDGH-OWCLPIDISA-N 0 3 358.446 0.541 20 30 FCEDHN CC(C)N1CCC[C@H]1C(=O)N1CCO[C@@H]2CN(c3nccnc3C#N)C[C@@H]21 ZINC001043753415 1217731652 /nfs/dbraw/zinc/73/16/52/1217731652.db2.gz GLJQVQIWJRQZHJ-YESZJQIVSA-N 0 3 370.457 0.637 20 30 FCEDHN CC(C)N1CCC[C@@H]1C(=O)N1CCO[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 ZINC001043753044 1217731737 /nfs/dbraw/zinc/73/17/37/1217731737.db2.gz CTVKJHIZHVQCRM-IXDOHACOSA-N 0 3 370.457 0.637 20 30 FCEDHN C[C@H]1CCN(CC(=O)N2CCO[C@@H]3CN(c4ccc(C#N)cn4)C[C@@H]32)C1 ZINC001043790736 1217744518 /nfs/dbraw/zinc/74/45/18/1217744518.db2.gz IQXXEZDIOMNOSL-BHYGNILZSA-N 0 3 355.442 0.711 20 30 FCEDHN C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)[C@H]3CCCCN3CC)C[C@@H]21 ZINC001224233099 1225766427 /nfs/dbraw/zinc/76/64/27/1225766427.db2.gz ISDXVVGLSYMARX-KURKYZTESA-N 0 3 360.502 0.533 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(c3cc(C(C)C)ncn3)C[C@@H]2O)CC1 ZINC001043989553 1217787370 /nfs/dbraw/zinc/78/73/70/1217787370.db2.gz ZOACNHPBRHRHEI-MSOLQXFVSA-N 0 3 371.485 0.611 20 30 FCEDHN CN(C)Cc1ccccc1C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1O ZINC001043992912 1217788530 /nfs/dbraw/zinc/78/85/30/1217788530.db2.gz PHNMZDPMNHCXGI-MJGOQNOKSA-N 0 3 365.437 0.994 20 30 FCEDHN CN(C)Cc1ccccc1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O ZINC001043993526 1217788539 /nfs/dbraw/zinc/78/85/39/1217788539.db2.gz ZJUSTOHGSYCGGT-SJORKVTESA-N 0 3 366.425 0.389 20 30 FCEDHN Cc1nc(N2C[C@@H](NC(=O)[C@@H]3CCCN3C(C)C)[C@@H](O)C2)ccc1C#N ZINC001044190518 1217814635 /nfs/dbraw/zinc/81/46/35/1217814635.db2.gz BQUJUYOYRXHTTD-IKGGRYGDSA-N 0 3 357.458 0.800 20 30 FCEDHN C=CCO[C@@H](C)C(=O)N1CC[C@H]2CCN(CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001224289215 1225771403 /nfs/dbraw/zinc/77/14/03/1225771403.db2.gz JKLWCMUVDKLERR-XHSDSOJGSA-N 0 3 363.458 0.649 20 30 FCEDHN N#Cc1ccc(N2C[C@@H](NC(=O)[C@H](C3CC3)N3CCCC3)[C@@H](O)C2)cn1 ZINC001044334708 1217836565 /nfs/dbraw/zinc/83/65/65/1217836565.db2.gz ZSMBNVJSUIODFG-SQNIBIBYSA-N 0 3 355.442 0.493 20 30 FCEDHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ncc(C#N)cc2F)C[C@@H]1O ZINC001044703311 1217872014 /nfs/dbraw/zinc/87/20/14/1217872014.db2.gz HQCYFMMQPYPTMD-PMPSAXMXSA-N 0 3 361.421 0.632 20 30 FCEDHN CC#CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)CC2)C1 ZINC001046063225 1217993754 /nfs/dbraw/zinc/99/37/54/1217993754.db2.gz MZMUXZBWYMLNIU-KZNAEPCWSA-N 0 3 355.486 0.765 20 30 FCEDHN CNC(=O)CN1CC[C@]2(CCN(CCOc3ccccc3C#N)C2=O)C1 ZINC001276982404 1225785888 /nfs/dbraw/zinc/78/58/88/1225785888.db2.gz OLLVCGVDAPBYGZ-IBGZPJMESA-N 0 3 356.426 0.607 20 30 FCEDHN C=CCCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NCC ZINC001225246549 1225805749 /nfs/dbraw/zinc/80/57/49/1225805749.db2.gz CJYDLGGCJQHBFF-RRFJBIMHSA-N 0 3 368.478 0.830 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CN(CC)CC)C1 ZINC001048880664 1218334132 /nfs/dbraw/zinc/33/41/32/1218334132.db2.gz KWFFJOCSQLHBJO-QZWWFDLISA-N 0 3 367.490 0.340 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CN(C(=O)CN(C)CCC)C[C@@H]1O ZINC001048916323 1218340086 /nfs/dbraw/zinc/34/00/86/1218340086.db2.gz IJMAEOVMYBKSPD-OVWQWFNUSA-N 0 3 367.490 0.340 20 30 FCEDHN COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC001225541801 1225815081 /nfs/dbraw/zinc/81/50/81/1225815081.db2.gz CXCIKTXIQKLHFR-HUUCEWRRSA-N 0 3 361.446 0.670 20 30 FCEDHN COCCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC001225690008 1225819570 /nfs/dbraw/zinc/81/95/70/1225819570.db2.gz BWZWMYUYJHZOEH-HUUCEWRRSA-N 0 3 361.446 0.670 20 30 FCEDHN C#CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCc1c(C)nnn1CC ZINC001225778863 1225822426 /nfs/dbraw/zinc/82/24/26/1225822426.db2.gz DHKRDNGYCDFYDA-HUUCEWRRSA-N 0 3 360.462 0.263 20 30 FCEDHN CN(C)[C@@H](C(=O)N1C[C@H]2CCN(c3ccnc(C#N)n3)C[C@H]2C1)C1CC1 ZINC001049528468 1218474327 /nfs/dbraw/zinc/47/43/27/1218474327.db2.gz JWTXITRVVLKXCC-RVKKMQEKSA-N 0 3 354.458 0.973 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CCN2CCN1CCNC1=O ZINC001049732941 1218538808 /nfs/dbraw/zinc/53/88/08/1218538808.db2.gz UAAKTGNJJWILCY-TWMKSMIVSA-N 0 3 362.474 0.668 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NC2CC2)CC1 ZINC001096608279 1218576142 /nfs/dbraw/zinc/57/61/42/1218576142.db2.gz ULFCENPCCGWPRP-SQNIBIBYSA-N 0 3 358.486 0.332 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccn(C)n2)CC1 ZINC001096608234 1218576224 /nfs/dbraw/zinc/57/62/24/1218576224.db2.gz RGJCZZPMPXAWJS-QYZOEREBSA-N 0 3 355.486 0.987 20 30 FCEDHN CC(C)C#CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N[C@H](C)C(=O)N(C)C ZINC001226073013 1225832716 /nfs/dbraw/zinc/83/27/16/1225832716.db2.gz KUAWCBXNZVSRGF-BZUAXINKSA-N 0 3 364.490 0.256 20 30 FCEDHN C#CCOCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NCCC ZINC001226178247 1225834976 /nfs/dbraw/zinc/83/49/76/1225834976.db2.gz ITMZCOYSYCAESI-HUUCEWRRSA-N 0 3 366.462 0.279 20 30 FCEDHN CC(C)Cc1ncc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)[nH]1 ZINC001226251288 1225837907 /nfs/dbraw/zinc/83/79/07/1225837907.db2.gz OUDLYHXWQWHWPN-ZIAGYGMSSA-N 0 3 360.462 0.879 20 30 FCEDHN CN(C)CC#CCNC(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC001226220400 1225836430 /nfs/dbraw/zinc/83/64/30/1225836430.db2.gz XGJKXVUTCDGTPO-GOSISDBHSA-N 0 3 357.414 0.105 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(C(C)C)n(C)n1 ZINC001226119465 1225833905 /nfs/dbraw/zinc/83/39/05/1225833905.db2.gz KMVMLNUGAXHKPB-HUUCEWRRSA-N 0 3 359.474 0.924 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001226267352 1225838233 /nfs/dbraw/zinc/83/82/33/1225838233.db2.gz HJMBSKWBBQKUKA-KBRIMQKVSA-N 0 3 357.458 0.596 20 30 FCEDHN COc1nc(C)ncc1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N ZINC001226643159 1225849930 /nfs/dbraw/zinc/84/99/30/1225849930.db2.gz WZFRINXTWHBDIC-ZIAGYGMSSA-N 0 3 360.418 0.064 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnc(C)nc1OC ZINC001226643154 1225850010 /nfs/dbraw/zinc/85/00/10/1225850010.db2.gz WXKFBFHGZBORJU-HUUCEWRRSA-N 0 3 361.446 0.726 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2ncncc2C1 ZINC001226714140 1225852436 /nfs/dbraw/zinc/85/24/36/1225852436.db2.gz PHSAATRAZBIODU-ZTFGCOKTSA-N 0 3 369.469 0.348 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2ncncc2C1 ZINC001226714215 1225852463 /nfs/dbraw/zinc/85/24/63/1225852463.db2.gz RMAUIEYBLGTLAI-ZTFGCOKTSA-N 0 3 371.485 0.901 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccnc2ccnn21 ZINC001226748443 1225853603 /nfs/dbraw/zinc/85/36/03/1225853603.db2.gz KRSYUSSZXLRRPT-ZIAGYGMSSA-N 0 3 356.430 0.662 20 30 FCEDHN CC(C)(C)C#CC(=O)NCCN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055575094 1219083613 /nfs/dbraw/zinc/08/36/13/1219083613.db2.gz LYAGNMKBLVPUDB-HUUCEWRRSA-N 0 3 364.446 0.398 20 30 FCEDHN C[C@H](NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1cccc(C#N)c1 ZINC000804058560 1219111857 /nfs/dbraw/zinc/11/18/57/1219111857.db2.gz FHAWEDGOYZHTET-RRQGHBQHSA-N 0 3 356.426 0.715 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cccc2ncnn21 ZINC001227303395 1225870077 /nfs/dbraw/zinc/87/00/77/1225870077.db2.gz XERGOPJECMIGCD-ZIAGYGMSSA-N 0 3 354.414 0.109 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)[C@@H]2CCc3[nH]cnc3C2)[C@@H](n2ccnn2)C1 ZINC001070071950 1219138742 /nfs/dbraw/zinc/13/87/42/1219138742.db2.gz SKAIVERRAXEJMY-XYPHTWIQSA-N 0 3 355.446 0.724 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)[C@@H]2CCc3nc[nH]c3C2)[C@@H](n2ccnn2)C1 ZINC001070071950 1219138744 /nfs/dbraw/zinc/13/87/44/1219138744.db2.gz SKAIVERRAXEJMY-XYPHTWIQSA-N 0 3 355.446 0.724 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)[C@H]2CCc3n[nH]nc3C2)[C@@H](n2ccnn2)C1 ZINC001070074937 1219143311 /nfs/dbraw/zinc/14/33/11/1219143311.db2.gz NUMDXGNGYLXVNP-MAZHCROVSA-N 0 3 356.434 0.119 20 30 FCEDHN Cc1cc(C)n(CCN[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@@H]2n2ccnn2)n1 ZINC001070161200 1219250365 /nfs/dbraw/zinc/25/03/65/1219250365.db2.gz ZSHIGWRNLNYIEV-WQVCFCJDSA-N 0 3 356.434 0.293 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc2ccncc2n1 ZINC001227565146 1225878983 /nfs/dbraw/zinc/87/89/83/1225878983.db2.gz LAMOGKLPXJORPA-HUUCEWRRSA-N 0 3 366.425 0.900 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cccc3[nH]c(=O)[nH]c32)C[C@@H]1n1ccnn1 ZINC001070211560 1219295968 /nfs/dbraw/zinc/29/59/68/1219295968.db2.gz OKWIVEUXAPRGKE-KGLIPLIRSA-N 0 3 353.386 0.701 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cc2cn3ccccc3n2)C[C@@H]1n1ccnn1 ZINC001070217619 1219299357 /nfs/dbraw/zinc/29/93/57/1219299357.db2.gz LDTOQDFEXNGKIS-CVEARBPZSA-N 0 3 351.414 0.696 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cn3c(n2)CC[C@H](C)C3)C[C@@H]1n1ccnn1 ZINC001070217758 1219300067 /nfs/dbraw/zinc/30/00/67/1219300067.db2.gz QKZAQDPSZGWFGX-LZWOXQAQSA-N 0 3 355.446 0.898 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2CCn3cc(C)nc3C2)C[C@@H]1n1ccnn1 ZINC001070218492 1219300170 /nfs/dbraw/zinc/30/01/70/1219300170.db2.gz JVUSBMPPVXXSEW-XHSDSOJGSA-N 0 3 355.446 0.573 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cn3c(n2)CC[C@@H](C)C3)C[C@@H]1n1ccnn1 ZINC001070217757 1219300515 /nfs/dbraw/zinc/30/05/15/1219300515.db2.gz QKZAQDPSZGWFGX-FMKPAKJESA-N 0 3 355.446 0.898 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc3c(c2)nnn3C)C[C@@H]1n1ccnn1 ZINC001070218720 1219301248 /nfs/dbraw/zinc/30/12/48/1219301248.db2.gz PQWKXFISKCCKQS-ZBFHGGJFSA-N 0 3 352.402 0.401 20 30 FCEDHN C=CC(C)(C)C(=O)N1C[C@@H](NCc2ccn(C)c(=O)c2)[C@@H](n2ccnn2)C1 ZINC001070251692 1219320016 /nfs/dbraw/zinc/32/00/16/1219320016.db2.gz AJGQFRDMRYGCFQ-CVEARBPZSA-N 0 3 370.457 0.731 20 30 FCEDHN C=CC(C)(C)C(=O)N1C[C@@H](NCCc2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001070250617 1219320542 /nfs/dbraw/zinc/32/05/42/1219320542.db2.gz QUGWUKDJGULYBG-CVEARBPZSA-N 0 3 357.462 0.808 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)[nH]c3n2)C[C@@H]1n1ccnn1 ZINC001070259304 1219328605 /nfs/dbraw/zinc/32/86/05/1219328605.db2.gz IMVPCVKPEXXXGI-OLZOCXBDSA-N 0 3 354.374 0.096 20 30 FCEDHN C=C[C@@](C)(CC)C(=O)N1C[C@@H](NCCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070267419 1219334974 /nfs/dbraw/zinc/33/49/74/1219334974.db2.gz CCTCASIGIHIOFG-VYDXJSESSA-N 0 3 358.450 0.514 20 30 FCEDHN C=C1CC(C)(C(=O)N2C[C@@H](NCCn3cccn3)[C@@H](n3ccnn3)C2)C1 ZINC001070271107 1219340000 /nfs/dbraw/zinc/34/00/00/1219340000.db2.gz BTAPUPNEEPQFIQ-CVEARBPZSA-N 0 3 355.446 0.873 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2nn(C)c3c2CCCC3)C[C@@H]1n1ccnn1 ZINC001070281172 1219346311 /nfs/dbraw/zinc/34/63/11/1219346311.db2.gz HPDJCQUEJNJKNI-ZBFHGGJFSA-N 0 3 355.446 0.732 20 30 FCEDHN Cc1n[nH]c(=O)c(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)c1C ZINC001227878433 1225889264 /nfs/dbraw/zinc/88/92/64/1225889264.db2.gz PNHRSGJMUWRUPP-CHWSQXEVSA-N 0 3 360.418 0.069 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cc2cncnc2)CC1 ZINC001070370938 1219401118 /nfs/dbraw/zinc/40/11/18/1219401118.db2.gz TYRGBIFEEXVIIP-APWZRJJASA-N 0 3 357.458 0.681 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2OCCO[C@H]2C)CC1 ZINC001070372818 1219402335 /nfs/dbraw/zinc/40/23/35/1219402335.db2.gz INJCEVRMASGPNL-DHXZDTOLSA-N 0 3 365.474 0.452 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CCC(=O)NC2)CC1 ZINC001070373983 1219402863 /nfs/dbraw/zinc/40/28/63/1219402863.db2.gz MSWWMVYNSKICLJ-DAYGRLMNSA-N 0 3 362.474 0.174 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CCCNC2=O)CC1 ZINC001070373077 1219402873 /nfs/dbraw/zinc/40/28/73/1219402873.db2.gz XVWJXOYFHJMMIX-UXLLHSPISA-N 0 3 362.474 0.174 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@]2(C)CNC(=O)C2)CC1 ZINC001070375230 1219404129 /nfs/dbraw/zinc/40/41/29/1219404129.db2.gz VLTVUTODLPUJLP-LJHODMEESA-N 0 3 362.474 0.174 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2ncccn2)CC1 ZINC001070381712 1219406886 /nfs/dbraw/zinc/40/68/86/1219406886.db2.gz QUDZJXGWWKMBDJ-WBVHZDCISA-N 0 3 355.442 0.589 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cc3c(cn2)OCCO3)C[C@H]1c1cn(C)cn1 ZINC001070500693 1219441040 /nfs/dbraw/zinc/44/10/40/1219441040.db2.gz CCDYOZJBHBTXMW-XJKSGUPXSA-N 0 3 369.425 0.970 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@H]2CCCc3nccn32)C[C@H]1c1cn(C)cn1 ZINC001070500854 1219441842 /nfs/dbraw/zinc/44/18/42/1219441842.db2.gz LFOIXJXQBSYDHW-USXIJHARSA-N 0 3 352.442 0.711 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCc3nc(C)[nH]c3C2)C[C@H]1c1cn(C)cn1 ZINC001070506750 1219444088 /nfs/dbraw/zinc/44/40/88/1219444088.db2.gz PMDQKDHPXCVHKN-ZRGWGRIASA-N 0 3 366.469 0.774 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C2CCC(C(N)=O)CC2)C[C@H]1c1cn(C)cn1 ZINC001070507706 1219444691 /nfs/dbraw/zinc/44/46/91/1219444691.db2.gz KYLFFLMUBXZNFJ-UMPYDWHISA-N 0 3 359.474 0.782 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cn2nnc3c2CCCC3)C[C@H]1c1cn(C)cn1 ZINC001070535961 1219457945 /nfs/dbraw/zinc/45/79/45/1219457945.db2.gz XDVZEZNOJQMVTR-WMLDXEAASA-N 0 3 369.473 0.661 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2CCc3nnnn3CC2)C[C@H]1c1cn(C)cn1 ZINC001070538275 1219458810 /nfs/dbraw/zinc/45/88/10/1219458810.db2.gz MBKZSDMUDGGISP-OFQRWUPVSA-N 0 3 370.461 0.129 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CCn2cnccc2=O)C[C@H]1c1cn(C)cn1 ZINC001070549412 1219464584 /nfs/dbraw/zinc/46/45/84/1219464584.db2.gz CZPFDVIYTDHYHH-GOEBONIOSA-N 0 3 356.430 0.137 20 30 FCEDHN CC#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@@H]2CCO[C@H]2CC)n1 ZINC001070587790 1219479634 /nfs/dbraw/zinc/47/96/34/1219479634.db2.gz GNMOULMWFXXAOP-ILXRZTDVSA-N 0 3 361.446 0.633 20 30 FCEDHN CC#CCN1CCOC[C@H]1c1nc(CNC(=O)[C@@H]2CCO[C@H]2CC)n[nH]1 ZINC001070587790 1219479642 /nfs/dbraw/zinc/47/96/42/1219479642.db2.gz GNMOULMWFXXAOP-ILXRZTDVSA-N 0 3 361.446 0.633 20 30 FCEDHN CC#CCN1CCOC[C@H]1c1nnc(CNC(=O)[C@@H]2CCO[C@H]2CC)[nH]1 ZINC001070587790 1219479645 /nfs/dbraw/zinc/47/96/45/1219479645.db2.gz GNMOULMWFXXAOP-ILXRZTDVSA-N 0 3 361.446 0.633 20 30 FCEDHN C=CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@@H]2CCO[C@H]2C2CC2)n1 ZINC001070587817 1219480199 /nfs/dbraw/zinc/48/01/99/1219480199.db2.gz 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/nfs/dbraw/zinc/99/52/00/1223995200.db2.gz ZJJXPXJVFLWPJE-CRAIPNDOSA-N 0 3 371.485 0.761 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cc2ccc(OC)cn2)C[C@H]1C ZINC001215395851 1223996223 /nfs/dbraw/zinc/99/62/23/1223996223.db2.gz UBCYDYDSGLLPEJ-JKIFEVAISA-N 0 3 360.458 0.760 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ccc3n[nH]cc3c2)C[C@H]1C ZINC001215409921 1223997826 /nfs/dbraw/zinc/99/78/26/1223997826.db2.gz JAAGOYJSNIAQSD-PBFPGSCMSA-N 0 3 353.426 0.751 20 30 FCEDHN C[C@@H]1CN(C(=O)c2cc(-c3cccnc3)on2)C[C@H]1NCC(=O)NCC#N ZINC001215425970 1223999114 /nfs/dbraw/zinc/99/91/14/1223999114.db2.gz STONXVFMPJYURR-IUODEOHRSA-N 0 3 368.397 0.426 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NCCC)C1 ZINC001215594826 1224007962 /nfs/dbraw/zinc/00/79/62/1224007962.db2.gz YKJHLGGOMNQKPB-TUVASFSCSA-N 0 3 366.462 0.250 20 30 FCEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)[C@H](CC)NC(C)=O)C[C@H]1C ZINC001215617566 1224010234 /nfs/dbraw/zinc/01/02/34/1224010234.db2.gz URRSMWZIUFRPKC-HYVNUMGLSA-N 0 3 366.506 0.762 20 30 FCEDHN C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC001215696951 1224013141 /nfs/dbraw/zinc/01/31/41/1224013141.db2.gz PLICIZRKUASQFJ-RBSFLKMASA-N 0 3 366.506 0.618 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cnnn2-c2ccccc2)C[C@H]1C ZINC001215705850 1224013249 /nfs/dbraw/zinc/01/32/49/1224013249.db2.gz SZTBPJFAEVQVNV-GDBMZVCRSA-N 0 3 368.441 0.620 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccnc(N(C)C)c2)C[C@H]1C ZINC001215737067 1224014658 /nfs/dbraw/zinc/01/46/58/1224014658.db2.gz JYXWBNAQOHQYPM-IJEWVQPXSA-N 0 3 359.474 0.888 20 30 FCEDHN CCC(CC)n1ccc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)n1 ZINC001215781120 1224017307 /nfs/dbraw/zinc/01/73/07/1224017307.db2.gz FEGIGLATODLIPU-CZUORRHYSA-N 0 3 360.462 0.934 20 30 FCEDHN C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC3CCC3)C2)nn1 ZINC001215828999 1224019755 /nfs/dbraw/zinc/01/97/55/1224019755.db2.gz DPIDLUFULXYGTP-UKRRQHHQSA-N 0 3 360.462 0.431 20 30 FCEDHN COc1cccc([C@@H]2C[C@H]2C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)c1 ZINC001215847808 1224020705 /nfs/dbraw/zinc/02/07/05/1224020705.db2.gz KCGAMYMGAFIFPP-BVPBIZIASA-N 0 3 370.453 0.875 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cn(CCC=C)nn2)C[C@H]1C ZINC001215861403 1224021153 /nfs/dbraw/zinc/02/11/53/1224021153.db2.gz GRLVFOHWFBQNEM-RBSFLKMASA-N 0 3 358.446 0.042 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccc3c(c2)COC3)C[C@H]1C ZINC001215882557 1224022145 /nfs/dbraw/zinc/02/21/45/1224022145.db2.gz BKBIGWQLWMFECJ-QWQRMKEZSA-N 0 3 355.438 0.905 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cccn3ccnc23)C[C@H]1C ZINC001215907746 1224023491 /nfs/dbraw/zinc/02/34/91/1224023491.db2.gz NGEUTDFFUXLBQK-IJEWVQPXSA-N 0 3 353.426 0.522 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(C)nc3n[nH]c(C)c32)C[C@H]1C ZINC001215915571 1224024166 /nfs/dbraw/zinc/02/41/66/1224024166.db2.gz HRQTVPWFIABHQJ-IAQYHMDHSA-N 0 3 370.457 0.927 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCOc3ccccc32)C[C@H]1C ZINC001215945598 1224026461 /nfs/dbraw/zinc/02/64/61/1224026461.db2.gz ZRDODRGGBDAMLJ-DJIMGWMZSA-N 0 3 355.438 0.739 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2c(C)nn(CC)c2C)C[C@H]1C ZINC001215952646 1224026834 /nfs/dbraw/zinc/02/68/34/1224026834.db2.gz AISUDEMBBRJGRJ-IVMMDQJWSA-N 0 3 359.474 0.708 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2c(C)n[nH]c2C)C[C@H]1C ZINC001215956690 1224027243 /nfs/dbraw/zinc/02/72/43/1224027243.db2.gz QLPKOQBQIYXWLO-ZWNOBZJWSA-N 0 3 362.434 0.088 20 30 FCEDHN C[C@@H]1CN(C(=O)c2ccc(-n3cccc3)nc2)C[C@H]1NCC(=O)NCC#N ZINC001215989893 1224028787 /nfs/dbraw/zinc/02/87/87/1224028787.db2.gz MZUZOYZDFNSTQU-GDBMZVCRSA-N 0 3 366.425 0.562 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2nnn(C(C)C)c2C)C[C@H]1C ZINC001216124661 1224035470 /nfs/dbraw/zinc/03/54/70/1224035470.db2.gz BCCPZNBEFRCQRA-VNHYZAJKSA-N 0 3 360.462 0.355 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cccc(-n3ccnc3)c2)C[C@H]1C ZINC001216182352 1224037886 /nfs/dbraw/zinc/03/78/86/1224037886.db2.gz SDPFISWFCGNRCR-CRAIPNDOSA-N 0 3 365.437 0.672 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnn(CC)c2C2CC2)C[C@H]1C ZINC001216313919 1224043470 /nfs/dbraw/zinc/04/34/70/1224043470.db2.gz BBTOYCXIUGWHRQ-JKIFEVAISA-N 0 3 371.485 0.968 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ncccc2OCC=C)C[C@H]1C ZINC001216314856 1224043790 /nfs/dbraw/zinc/04/37/90/1224043790.db2.gz STZYEMOECVEVQP-HUUCEWRRSA-N 0 3 358.442 0.999 20 30 FCEDHN C[C@@H]1CN(C(=O)c2cccc(C(=O)N(C)C)c2)C[C@H]1NCC(=O)NCC#N ZINC001216421771 1224049868 /nfs/dbraw/zinc/04/98/68/1224049868.db2.gz OQNBESHIKZHNLY-CZUORRHYSA-N 0 3 371.441 0.078 20 30 FCEDHN C[C@@H]1CN(C(=O)Cn2cc3ccccc3n2)C[C@H]1NCC(=O)NCC#N ZINC001216429600 1224050084 /nfs/dbraw/zinc/05/00/84/1224050084.db2.gz ZBJLJIPUINVUPS-CZUORRHYSA-N 0 3 354.414 0.113 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cn2cc3ccccc3n2)C[C@H]1C ZINC001216428671 1224050338 /nfs/dbraw/zinc/05/03/38/1224050338.db2.gz 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Cc1cc(C)n([C@@H](C)CC(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)n1 ZINC001216755765 1224069117 /nfs/dbraw/zinc/06/91/17/1224069117.db2.gz CGCVBDLHNOTKQJ-UHOFOFEASA-N 0 3 360.462 0.527 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)c2ccnc(C)n2)C[C@H]1C ZINC001216767016 1224070448 /nfs/dbraw/zinc/07/04/48/1224070448.db2.gz QFGAQGOBLFZSLK-CZUORRHYSA-N 0 3 358.446 0.597 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccco2)C[C@H]1C ZINC001216789891 1224072220 /nfs/dbraw/zinc/07/22/20/1224072220.db2.gz TXQLMWWKIFHLHO-UMVBOHGHSA-N 0 3 369.425 0.858 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ncc3n2CCCC3)C[C@H]1C ZINC001216791920 1224072331 /nfs/dbraw/zinc/07/23/31/1224072331.db2.gz VLZPEHVGTQZBEU-IIAWOOMASA-N 0 3 359.474 0.960 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2noc3c2COCC3)C[C@H]1C ZINC001216799789 1224072930 /nfs/dbraw/zinc/07/29/30/1224072930.db2.gz MURYKRIODMUMFN-MBNYWOFBSA-N 0 3 362.430 0.488 20 30 FCEDHN 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1261672384 /nfs/dbraw/zinc/67/23/84/1261672384.db2.gz AAYLZAZYTSMIAH-GOEBONIOSA-N 0 3 360.462 0.853 20 30 FCEDHN COCCn1c([C@H]2C[C@@H]2C#N)nnc1N1CCN(C2CCOCC2)CC1 ZINC001345323286 1261672523 /nfs/dbraw/zinc/67/25/23/1261672523.db2.gz AAYLZAZYTSMIAH-ZBFHGGJFSA-N 0 3 360.462 0.853 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NCCn2c(=O)[nH]c3ccccc32)CC1 ZINC001323243982 1264376289 /nfs/dbraw/zinc/37/62/89/1264376289.db2.gz AGMFWSLDCPIOGO-UHFFFAOYSA-N 0 3 371.441 0.625 20 30 FCEDHN COCCCN(C)CCNC(=O)C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC001323384076 1264416012 /nfs/dbraw/zinc/41/60/12/1264416012.db2.gz UQRGVQATUWRMIX-KRWDZBQOSA-N 0 3 358.442 0.746 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC001325198726 1264807184 /nfs/dbraw/zinc/80/71/84/1264807184.db2.gz GQKDAEQKOXSGQJ-INIZCTEOSA-N 0 3 370.453 0.675 20 30 FCEDHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)c1ccc(C#N)[nH]1 ZINC001580403286 1278233844 /nfs/dbraw/zinc/23/38/44/1278233844.db2.gz YAMZXCTXJGQMTK-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)c1ccc(C#N)[nH]1 ZINC001580403286 1278233858 /nfs/dbraw/zinc/23/38/58/1278233858.db2.gz YAMZXCTXJGQMTK-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN N#CCCC[C@H](N)C(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC001326001780 1265041491 /nfs/dbraw/zinc/04/14/91/1265041491.db2.gz PWZLYHODZXQANN-HIFRSBDPSA-N 0 3 360.414 0.448 20 30 FCEDHN CN(CCC#N)C[C@@H](O)CNCc1cccnc1N1CCC(C(N)=O)CC1 ZINC001326145385 1265067036 /nfs/dbraw/zinc/06/70/36/1265067036.db2.gz DLSMKAZKHDSOPF-KRWDZBQOSA-N 0 3 374.489 0.079 20 30 FCEDHN C=CC[C@@H](NC(=O)C(=O)NCCCCN1CCN(C)CC1)c1ccncc1 ZINC001327521693 1265349761 /nfs/dbraw/zinc/34/97/61/1265349761.db2.gz LSWSDKRESUHOGI-GOSISDBHSA-N 0 3 373.501 0.959 20 30 FCEDHN CS(=O)(=O)[C@@H]1CN(C(=O)[C@H](N)CCCCC#N)C[C@H]1C(F)(F)F ZINC001333525192 1266623063 /nfs/dbraw/zinc/62/30/63/1266623063.db2.gz WFFBFRSGQZIPTH-GMTAPVOTSA-N 0 3 355.382 0.832 20 30 FCEDHN C=CCn1c([C@@H]2CC=NO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001338920514 1268121230 /nfs/dbraw/zinc/12/12/30/1268121230.db2.gz GCAMZOJBZZABJT-CABCVRRESA-N 0 3 373.461 0.654 20 30 FCEDHN C=CCn1c([C@H](O)COC)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001339146244 1268176246 /nfs/dbraw/zinc/17/62/46/1268176246.db2.gz SFZNVYRAPVXEGB-GDBMZVCRSA-N 0 3 365.478 0.833 20 30 FCEDHN C=CCn1c([C@H](O)COC)nnc1N1CCN(C2CCOCC2)CC1 ZINC001339269394 1268199072 /nfs/dbraw/zinc/19/90/72/1268199072.db2.gz YYFVEDVSNCKRHN-OAHLLOKOSA-N 0 3 351.451 0.445 20 30 FCEDHN C=CCn1c(Cc2cnn(C)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001339710805 1268307346 /nfs/dbraw/zinc/30/73/46/1268307346.db2.gz UHUMVIJQTWDTAT-MRXNPFEDSA-N 0 3 371.489 0.947 20 30 FCEDHN C=CCn1c(-c2c[nH]cn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001339828975 1268340801 /nfs/dbraw/zinc/34/08/01/1268340801.db2.gz HGJBVAQLMPRIPK-HNNXBMFYSA-N 0 3 370.461 0.597 20 30 FCEDHN C#CCN(C)C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC001340073703 1268426546 /nfs/dbraw/zinc/42/65/46/1268426546.db2.gz NIYQMHVZDZYQAH-UHFFFAOYSA-N 0 3 356.426 0.414 20 30 FCEDHN C=CCn1c(-c2cc(=O)[nH]c(=O)[nH]2)nnc1N1CCN(CC2CC2)CC1 ZINC001340459228 1268554272 /nfs/dbraw/zinc/55/42/72/1268554272.db2.gz LTOHQAGFHSWLDQ-UHFFFAOYSA-N 0 3 357.418 0.425 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC(S(=O)(=O)CC)CC2)CC1 ZINC001341900450 1269259318 /nfs/dbraw/zinc/25/93/18/1269259318.db2.gz ZENUGWNPFYGSRG-UHFFFAOYSA-N 0 3 371.503 0.179 20 30 FCEDHN Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3CCCCN3C)CC2)c1C#N ZINC001342869783 1269653701 /nfs/dbraw/zinc/65/37/01/1269653701.db2.gz QYDABQIXCOWEJG-OAHLLOKOSA-N 0 3 359.478 0.916 20 30 FCEDHN CCn1nncc1C(=O)C(C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC001343478668 1269922144 /nfs/dbraw/zinc/92/21/44/1269922144.db2.gz RMUKMLIEJQZMMZ-ZDUSSCGKSA-N 0 3 354.370 0.961 20 30 FCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@](C)(O)C1 ZINC001344660955 1270220342 /nfs/dbraw/zinc/22/03/42/1270220342.db2.gz PZGAYCWWBZHGCQ-IBGZPJMESA-N 0 3 358.442 0.432 20 30 FCEDHN C#CCN(C(=O)c1cnn(CC)c1)C1CCN(CCc2cn[nH]n2)CC1 ZINC001574927831 1271680503 /nfs/dbraw/zinc/68/05/03/1271680503.db2.gz BPHBVQQBJQNYRV-UHFFFAOYSA-N 0 3 355.446 0.804 20 30 FCEDHN CC(C)C#CC(=O)N1CC[C@@H]2[C@H](CCN2CC(=O)NCc2c[nH]nn2)C1 ZINC001575318555 1271917426 /nfs/dbraw/zinc/91/74/26/1271917426.db2.gz LPSQAPGQRWNPEA-GDBMZVCRSA-N 0 3 358.446 0.003 20 30 FCEDHN COCC#CCN1C[C@@H]2CCC[C@]2(NC(=O)CCOCc2cn[nH]n2)C1 ZINC001576952608 1273973557 /nfs/dbraw/zinc/97/35/57/1273973557.db2.gz IPUBNKCUJNLRQL-YJBOKZPZSA-N 0 3 361.446 0.332 20 30 FCEDHN CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C#CC(C)(C)C ZINC001579037924 1276623733 /nfs/dbraw/zinc/62/37/33/1276623733.db2.gz DUNGARUKNCXTOA-INIZCTEOSA-N 0 3 370.457 0.825 20 30 FCEDHN CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C#CC(C)(C)C ZINC001579037924 1276623741 /nfs/dbraw/zinc/62/37/41/1276623741.db2.gz DUNGARUKNCXTOA-INIZCTEOSA-N 0 3 370.457 0.825 20 30 FCEDHN COCC#CC[NH2+][C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C12CCC2 ZINC001579618964 1277666460 /nfs/dbraw/zinc/66/64/60/1277666460.db2.gz NOEVPJFALHQMDI-GJZGRUSLSA-N 0 3 369.429 0.475 20 30 FCEDHN COCC#CC[NH2+][C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C12CCC2 ZINC001579618964 1277666466 /nfs/dbraw/zinc/66/64/66/1277666466.db2.gz NOEVPJFALHQMDI-GJZGRUSLSA-N 0 3 369.429 0.475 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NCCC[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001588356900 1282462558 /nfs/dbraw/zinc/46/25/58/1282462558.db2.gz HKGJNCLDNDBRNG-AWEZNQCLSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NCCC[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001588356900 1282462562 /nfs/dbraw/zinc/46/25/62/1282462562.db2.gz HKGJNCLDNDBRNG-AWEZNQCLSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NCCC[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001588356900 1282462567 /nfs/dbraw/zinc/46/25/67/1282462567.db2.gz HKGJNCLDNDBRNG-AWEZNQCLSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NCCC[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001588356900 1282462569 /nfs/dbraw/zinc/46/25/69/1282462569.db2.gz HKGJNCLDNDBRNG-AWEZNQCLSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCO[C@H](C)C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001588357706 1282467400 /nfs/dbraw/zinc/46/74/00/1282467400.db2.gz MGISBSSDKAJSRK-UONOGXRCSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCO[C@H](C)C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001588357706 1282467406 /nfs/dbraw/zinc/46/74/06/1282467406.db2.gz MGISBSSDKAJSRK-UONOGXRCSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588359169 1282472459 /nfs/dbraw/zinc/47/24/59/1282472459.db2.gz YYAMPLWAEAJKAL-HOCLYGCPSA-N 0 3 368.441 0.843 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588359169 1282472463 /nfs/dbraw/zinc/47/24/63/1282472463.db2.gz YYAMPLWAEAJKAL-HOCLYGCPSA-N 0 3 368.441 0.843 20 30 FCEDHN C#CCOCCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588362499 1282487581 /nfs/dbraw/zinc/48/75/81/1282487581.db2.gz GYMZPKLYMYSZFX-JCNLHEQBSA-N 0 3 368.441 0.891 20 30 FCEDHN C#CCOCCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588362499 1282487594 /nfs/dbraw/zinc/48/75/94/1282487594.db2.gz GYMZPKLYMYSZFX-JCNLHEQBSA-N 0 3 368.441 0.891 20 30 FCEDHN C=C(C)CC[N@@H+]1CCC[C@](CO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001588419836 1282505937 /nfs/dbraw/zinc/50/59/37/1282505937.db2.gz VKILYWVJUITZFY-KRWDZBQOSA-N 0 3 359.434 0.718 20 30 FCEDHN C=C(C)CC[N@H+]1CCC[C@](CO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001588419836 1282505948 /nfs/dbraw/zinc/50/59/48/1282505948.db2.gz VKILYWVJUITZFY-KRWDZBQOSA-N 0 3 359.434 0.718 20 30 FCEDHN C=C(CC[NH+](C)C)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001588444129 1282509173 /nfs/dbraw/zinc/50/91/73/1282509173.db2.gz LRUCMZHGOWLOTO-UHFFFAOYSA-N 0 3 356.434 0.418 20 30 FCEDHN C=C(CC[NH+](C)C)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001588444129 1282509183 /nfs/dbraw/zinc/50/91/83/1282509183.db2.gz LRUCMZHGOWLOTO-UHFFFAOYSA-N 0 3 356.434 0.418 20 30 FCEDHN C=C1CC(C)(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001588456415 1282510296 /nfs/dbraw/zinc/51/02/96/1282510296.db2.gz WQMPBYKTZWOJLB-ZDUSSCGKSA-N 0 3 374.420 0.929 20 30 FCEDHN C=C1CC(C)(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001588456415 1282510310 /nfs/dbraw/zinc/51/03/10/1282510310.db2.gz WQMPBYKTZWOJLB-ZDUSSCGKSA-N 0 3 374.420 0.929 20 30 FCEDHN C=C[C@](C)(O)CC(=O)NC[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001588502175 1282537239 /nfs/dbraw/zinc/53/72/39/1282537239.db2.gz RHOBMFATUGZHAC-DIFFPNOSSA-N 0 3 362.409 0.927 20 30 FCEDHN C=C[C@](C)(O)CC(=O)NC[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001588502175 1282537249 /nfs/dbraw/zinc/53/72/49/1282537249.db2.gz RHOBMFATUGZHAC-DIFFPNOSSA-N 0 3 362.409 0.927 20 30 FCEDHN C=CCC[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588577727 1282573085 /nfs/dbraw/zinc/57/30/85/1282573085.db2.gz MBQNEHWNFVEHFC-SJCJKPOMSA-N 0 3 359.434 0.716 20 30 FCEDHN C=CCC[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588577727 1282573096 /nfs/dbraw/zinc/57/30/96/1282573096.db2.gz MBQNEHWNFVEHFC-SJCJKPOMSA-N 0 3 359.434 0.716 20 30 FCEDHN C=CCC[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588577727 1282573102 /nfs/dbraw/zinc/57/31/02/1282573102.db2.gz MBQNEHWNFVEHFC-SJCJKPOMSA-N 0 3 359.434 0.716 20 30 FCEDHN C=CCC[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588577727 1282573112 /nfs/dbraw/zinc/57/31/12/1282573112.db2.gz MBQNEHWNFVEHFC-SJCJKPOMSA-N 0 3 359.434 0.716 20 30 FCEDHN C=CCC[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588577711 1282573852 /nfs/dbraw/zinc/57/38/52/1282573852.db2.gz LVRZKJGFQKQSQZ-YVEFUNNKSA-N 0 3 359.434 0.716 20 30 FCEDHN C=CCC[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588577711 1282573864 /nfs/dbraw/zinc/57/38/64/1282573864.db2.gz LVRZKJGFQKQSQZ-YVEFUNNKSA-N 0 3 359.434 0.716 20 30 FCEDHN C=CCC[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588577711 1282573875 /nfs/dbraw/zinc/57/38/75/1282573875.db2.gz LVRZKJGFQKQSQZ-YVEFUNNKSA-N 0 3 359.434 0.716 20 30 FCEDHN C=CCC[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588577711 1282573888 /nfs/dbraw/zinc/57/38/88/1282573888.db2.gz LVRZKJGFQKQSQZ-YVEFUNNKSA-N 0 3 359.434 0.716 20 30 FCEDHN C=CCCC[N@H+]1CCC[C@](CO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588601699 1282580861 /nfs/dbraw/zinc/58/08/61/1282580861.db2.gz SHRXJEWKVRQIFK-KRWDZBQOSA-N 0 3 359.434 0.718 20 30 FCEDHN C=CCCC[N@@H+]1CCC[C@](CO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588601699 1282580871 /nfs/dbraw/zinc/58/08/71/1282580871.db2.gz SHRXJEWKVRQIFK-KRWDZBQOSA-N 0 3 359.434 0.718 20 30 FCEDHN C=CCCC[N@H+]1CCC[C@](CO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588601699 1282580880 /nfs/dbraw/zinc/58/08/80/1282580880.db2.gz SHRXJEWKVRQIFK-KRWDZBQOSA-N 0 3 359.434 0.718 20 30 FCEDHN C=CCCC[N@@H+]1CCC[C@](CO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588601699 1282580887 /nfs/dbraw/zinc/58/08/87/1282580887.db2.gz SHRXJEWKVRQIFK-KRWDZBQOSA-N 0 3 359.434 0.718 20 30 FCEDHN C=CCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001588601150 1282581389 /nfs/dbraw/zinc/58/13/89/1282581389.db2.gz WIESLHZDXWMYDN-WFASDCNBSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001588601150 1282581401 /nfs/dbraw/zinc/58/14/01/1282581401.db2.gz WIESLHZDXWMYDN-WFASDCNBSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](C)C1 ZINC001588660154 1282617204 /nfs/dbraw/zinc/61/72/04/1282617204.db2.gz WVURJUIYQSXTHU-VXGBXAGGSA-N 0 3 372.433 0.080 20 30 FCEDHN C=CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001588682782 1282644536 /nfs/dbraw/zinc/64/45/36/1282644536.db2.gz JKGRXYHFMURYKT-ZDUSSCGKSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001588682782 1282644549 /nfs/dbraw/zinc/64/45/49/1282644549.db2.gz JKGRXYHFMURYKT-ZDUSSCGKSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCOCC[NH2+][C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](C)C1 ZINC001588683307 1282645395 /nfs/dbraw/zinc/64/53/95/1282645395.db2.gz QHHILFMSGYCXGD-TZMCWYRMSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[NH2+][C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](C)C1 ZINC001588683307 1282645406 /nfs/dbraw/zinc/64/54/06/1282645406.db2.gz QHHILFMSGYCXGD-TZMCWYRMSA-N 0 3 359.434 0.980 20 30 FCEDHN CC#CCCCC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588737790 1282678679 /nfs/dbraw/zinc/67/86/79/1282678679.db2.gz INTBSNADQRZOAJ-QGZVFWFLSA-N 0 3 370.457 0.969 20 30 FCEDHN CC#CCCCC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588737790 1282678683 /nfs/dbraw/zinc/67/86/83/1282678683.db2.gz INTBSNADQRZOAJ-QGZVFWFLSA-N 0 3 370.457 0.969 20 30 FCEDHN CC#CCCCC(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001588740314 1282683544 /nfs/dbraw/zinc/68/35/44/1282683544.db2.gz LLZBEMPTHOIMHS-MRXNPFEDSA-N 0 3 356.430 0.627 20 30 FCEDHN CC#CCCCC(=O)NC[C@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001588740314 1282683555 /nfs/dbraw/zinc/68/35/55/1282683555.db2.gz LLZBEMPTHOIMHS-MRXNPFEDSA-N 0 3 356.430 0.627 20 30 FCEDHN CC#CC[NH2+]CCCOC1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001588751631 1282685569 /nfs/dbraw/zinc/68/55/69/1282685569.db2.gz LWSUTYJDFCRSOS-UHFFFAOYSA-N 0 3 371.445 0.819 20 30 FCEDHN C[C@H](C#N)C(=O)N(C)CCOCC[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588926744 1282730609 /nfs/dbraw/zinc/73/06/09/1282730609.db2.gz UDBKGRXIWIYZSA-CYBMUJFWSA-N 0 3 357.418 0.591 20 30 FCEDHN COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001591360445 1284496548 /nfs/dbraw/zinc/49/65/48/1284496548.db2.gz CYXJYRXNTBGCAQ-CYBMUJFWSA-N 0 3 357.418 0.429 20 30 FCEDHN COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001591362978 1284499663 /nfs/dbraw/zinc/49/96/63/1284499663.db2.gz YOLJLFKEPMSNDS-CYBMUJFWSA-N 0 3 357.418 0.286 20 30 FCEDHN COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001591363833 1284502216 /nfs/dbraw/zinc/50/22/16/1284502216.db2.gz GBPFOCPKAXLEEB-GXTWGEPZSA-N 0 3 357.418 0.333 20 30 FCEDHN COc1ccc(C[NH2+][C@H]2CCN(C(=O)C#CC3CC3)C2)cc1-c1nnn[n-]1 ZINC001591596580 1284761386 /nfs/dbraw/zinc/76/13/86/1284761386.db2.gz BNMPGOMALFIBKS-HNNXBMFYSA-N 0 3 366.425 0.979 20 30 FCEDHN COc1ccc(C[NH2+][C@H]2CCN(C(=O)C#CC3CC3)C2)cc1-c1nn[n-]n1 ZINC001591596580 1284761392 /nfs/dbraw/zinc/76/13/92/1284761392.db2.gz BNMPGOMALFIBKS-HNNXBMFYSA-N 0 3 366.425 0.979 20 30 FCEDHN N#CCSCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001592681422 1285581468 /nfs/dbraw/zinc/58/14/68/1285581468.db2.gz BANHNPHQOMLKOQ-FOLVSLTJSA-N 0 3 369.454 0.670 20 30 FCEDHN N#CCSCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001592681422 1285581476 /nfs/dbraw/zinc/58/14/76/1285581476.db2.gz BANHNPHQOMLKOQ-FOLVSLTJSA-N 0 3 369.454 0.670 20 30 FCEDHN COC(=O)[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(-c3nn[nH]n3)cc2)[C@@H]1C ZINC001609296651 1289066373 /nfs/dbraw/zinc/06/63/73/1289066373.db2.gz POQZHHIVIBREAO-BYCMXARLSA-N 0 3 368.397 0.959 20 30 FCEDHN C#CC[C@@H](NC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1)C(=O)OC ZINC001602697783 1287061987 /nfs/dbraw/zinc/06/19/87/1287061987.db2.gz RTZPDANITWZRRR-QGZVFWFLSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CC[C@@H](NC1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1)C(=O)OC ZINC001602697783 1287061997 /nfs/dbraw/zinc/06/19/97/1287061997.db2.gz RTZPDANITWZRRR-QGZVFWFLSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CC[NH+]1CCC2(CO[C@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC1 ZINC001602721762 1287079122 /nfs/dbraw/zinc/07/91/22/1287079122.db2.gz VLOWUGWWDHDCCH-ZDUSSCGKSA-N 0 3 369.429 0.429 20 30 FCEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC001609055478 1288890613 /nfs/dbraw/zinc/89/06/13/1288890613.db2.gz DQLXGXAKENUNKR-OAHLLOKOSA-N 0 3 369.429 0.250 20 30 FCEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC001609055478 1288890614 /nfs/dbraw/zinc/89/06/14/1288890614.db2.gz DQLXGXAKENUNKR-OAHLLOKOSA-N 0 3 369.429 0.250 20 30 FCEDHN N#Cc1ccccc1CN[C@@H]1CC[C@H](CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001691947398 1289348829 /nfs/dbraw/zinc/34/88/29/1289348829.db2.gz BUSZOTPAJAIQGZ-XJKSGUPXSA-N 0 3 369.425 0.485 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H](C)CNCC(=O)NC(=O)NC1CC1 ZINC001698862038 1289537138 /nfs/dbraw/zinc/53/71/38/1289537138.db2.gz JGKFMAMVPMQQEI-BNOWGMLFSA-N 0 3 352.435 0.002 20 30 FCEDHN C=CCN1CC[C@@H](NCCN(CC)C(=O)[C@@H]2C[C@H]2c2cncn2C)C1=O ZINC001699203778 1289548402 /nfs/dbraw/zinc/54/84/02/1289548402.db2.gz OUBMKGYUNUAKMK-BZUAXINKSA-N 0 3 359.474 0.749 20 30 FCEDHN N#CCNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001700345049 1289592607 /nfs/dbraw/zinc/59/26/07/1289592607.db2.gz SXCYEAWAIBEZFA-YESZJQIVSA-N 0 3 362.474 0.660 20 30 FCEDHN COCC#CCNCCNC(=O)[C@H]1CCCN(C(=O)[C@]23C[C@H]2CCC3)C1 ZINC001752926721 1290615669 /nfs/dbraw/zinc/61/56/69/1290615669.db2.gz XAVSGEBPXFMUNP-SQGPQFPESA-N 0 3 361.486 0.771 20 30 FCEDHN CCN(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](OC)C1 ZINC001757124043 1290720822 /nfs/dbraw/zinc/72/08/22/1290720822.db2.gz KHPQCPNYQGPPPD-HUUCEWRRSA-N 0 3 361.446 0.572 20 30 FCEDHN COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC001652703349 1291294632 /nfs/dbraw/zinc/29/46/32/1291294632.db2.gz WCTQTLVBTGSUNW-GOEBONIOSA-N 0 3 351.366 0.864 20 30 FCEDHN C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NCC#CC)C1 ZINC001689033986 1294579143 /nfs/dbraw/zinc/57/91/43/1294579143.db2.gz GRKRTMAPTYYPTH-GBESFXJTSA-N 0 3 371.485 0.798 20 30 FCEDHN C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1CCN(CCn2cccn2)[C@@H]1C ZINC001689338419 1294759911 /nfs/dbraw/zinc/75/99/11/1294759911.db2.gz RYKLDWGVPAHHGA-CABCVRRESA-N 0 3 362.478 0.726 20 30 FCEDHN C=CCNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCCO1 ZINC001691785518 1294922097 /nfs/dbraw/zinc/92/20/97/1294922097.db2.gz RMNOHEWILCRRMH-QLFBSQMISA-N 0 3 366.462 0.394 20 30 FCEDHN C#CCNC(=O)[C@@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001691803279 1294927159 /nfs/dbraw/zinc/92/71/59/1294927159.db2.gz ALLRIBJMJRVWJD-FMKPAKJESA-N 0 3 355.442 0.855 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)Cn2c(C)csc2=O)[C@@H](n2ccnn2)C1 ZINC001070092534 837615926 /nfs/dbraw/zinc/61/59/26/837615926.db2.gz DYADCLTYVFROKO-KGLIPLIRSA-N 0 3 362.459 0.428 20 30 FCEDHN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@@H]1n1ccnn1 ZINC001070208899 837634086 /nfs/dbraw/zinc/63/40/86/837634086.db2.gz CSTYSVDZPYXMEU-ILXRZTDVSA-N 0 3 352.870 0.712 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C[C@H]1c1cn(C)cn1 ZINC001070510857 837656413 /nfs/dbraw/zinc/65/64/13/837656413.db2.gz WSELPZSRPSCUQN-OFQRWUPVSA-N 0 3 366.487 0.315 20 30 FCEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@]2(C)C1 ZINC001101346154 844153790 /nfs/dbraw/zinc/15/37/90/844153790.db2.gz XWXVUXYFMDRRMO-LBTNJELSSA-N 0 3 350.463 0.065 20 30 FCEDHN C=CCO[C@@H](C)C(=O)N1C[C@H]2CN(CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101486166 844206230 /nfs/dbraw/zinc/20/62/30/844206230.db2.gz SQVMYCJUKVUNMD-DAYGRLMNSA-N 0 3 350.463 0.383 20 30 FCEDHN C[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1CNC(=O)CSCC#N ZINC001101736336 844239188 /nfs/dbraw/zinc/23/91/88/844239188.db2.gz YOHGXGGJCUEVAE-MGPQQGTHSA-N 0 3 359.517 0.362 20 30 FCEDHN C[C@H](CN1C[C@@H](CNC(=O)CSCC#N)[C@H](C)C1)CS(C)(=O)=O ZINC001101737421 844240918 /nfs/dbraw/zinc/24/09/18/844240918.db2.gz MJRLMFWZUJTADW-MGPQQGTHSA-N 0 3 361.533 0.608 20 30 FCEDHN C=CCOCCCC(=O)NC[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001101852637 844295083 /nfs/dbraw/zinc/29/50/83/844295083.db2.gz GBDKOLLPCVRSJR-HZSPNIEDSA-N 0 3 354.451 0.237 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)CCOCC(F)F)[C@H](C)C1 ZINC001101979023 844358329 /nfs/dbraw/zinc/35/83/29/844358329.db2.gz KHQFENUNELDJBH-MGPQQGTHSA-N 0 3 359.417 0.480 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)C2(F)CCOCC2)[C@H](C)C1 ZINC001102030975 844389634 /nfs/dbraw/zinc/38/96/34/844389634.db2.gz LZUSQNVKARLYOX-RBSFLKMASA-N 0 3 353.438 0.327 20 30 FCEDHN COCC#CCN1C[C@@H](CNC(=O)CCn2c(C)csc2=O)[C@H](C)C1 ZINC001102048736 844396429 /nfs/dbraw/zinc/39/64/29/844396429.db2.gz NAWLNUGWOIKQMQ-GDBMZVCRSA-N 0 3 365.499 0.942 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@H]1c1ccc(F)cc1 ZINC001079152472 839489693 /nfs/dbraw/zinc/48/96/93/839489693.db2.gz NWHAQKIUWBREAT-DLBZAZTESA-N 0 3 364.442 0.778 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)[C@@H](C)n2nnnc2C(C)(C)C)[C@H](OC)C1 ZINC001081781042 840025637 /nfs/dbraw/zinc/02/56/37/840025637.db2.gz CRRCTWVEVQTTEI-MGPQQGTHSA-N 0 3 350.467 0.923 20 30 FCEDHN C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001082504778 840440869 /nfs/dbraw/zinc/44/08/69/840440869.db2.gz GHSWILPAQPRNPZ-MRVWCRGKSA-N 0 3 357.376 1.000 20 30 FCEDHN C[C@@H](C(=O)N1C[C@@H](C)[C@H](NCc2ccc(C#N)s2)C1)S(C)(=O)=O ZINC001082597639 840482956 /nfs/dbraw/zinc/48/29/56/840482956.db2.gz HVOLRYAQRUGWPW-UHIISALHSA-N 0 3 355.485 0.989 20 30 FCEDHN COCC#CCN1C[C@@H](CNC(=O)[C@@H](NC(N)=O)C(C)(C)C)[C@H](C)C1 ZINC001102512371 844543337 /nfs/dbraw/zinc/54/33/37/844543337.db2.gz MHGAACFPFNYLHI-RBSFLKMASA-N 0 3 352.479 0.403 20 30 FCEDHN C=C(C)CCN1CC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)C[C@@H]21 ZINC001085092123 842013543 /nfs/dbraw/zinc/01/35/43/842013543.db2.gz UPUWANOWLRFUTH-SJORKVTESA-N 0 3 369.531 0.606 20 30 FCEDHN C=C(Br)CN[C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001086195697 842124121 /nfs/dbraw/zinc/12/41/21/842124121.db2.gz CSWVJFJAVVFSGQ-WHOHXGKFSA-N 0 3 360.252 0.412 20 30 FCEDHN CC[C@H](C(=O)N[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1OC)N(C)C ZINC001090904903 842902978 /nfs/dbraw/zinc/90/29/78/842902978.db2.gz HQCSQSZQOHSESM-MGPQQGTHSA-N 0 3 351.476 0.983 20 30 FCEDHN CCCN(C)CC(=O)N[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1OC ZINC001090908105 842904045 /nfs/dbraw/zinc/90/40/45/842904045.db2.gz YFFSWSOMDNDTLD-ZIAGYGMSSA-N 0 3 351.476 0.985 20 30 FCEDHN CC[C@@H](C(=O)N[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@@H]1O)N(C)C ZINC001091123065 842972367 /nfs/dbraw/zinc/97/23/67/842972367.db2.gz KDXFEUVWWRJFLJ-RDBSUJKOSA-N 0 3 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C#CCO[C@H](C)C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573285388 946776473 /nfs/dbraw/zinc/77/64/73/946776473.db2.gz HASHTPRBLRZEEX-PBHICJAKSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573285388 946776477 /nfs/dbraw/zinc/77/64/77/946776477.db2.gz HASHTPRBLRZEEX-PBHICJAKSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N(C)[C@H](C)CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001573286283 946803024 /nfs/dbraw/zinc/80/30/24/946803024.db2.gz YFUVAWYJKKQKNZ-OLZOCXBDSA-N 0 3 374.420 0.981 20 30 FCEDHN C[C@H](C#N)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573560634 946955575 /nfs/dbraw/zinc/95/55/75/946955575.db2.gz DXDZGYALRKPSSX-PWSUYJOCSA-N 0 3 361.381 0.074 20 30 FCEDHN C[C@H](C#N)C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573562723 946979007 /nfs/dbraw/zinc/97/90/07/946979007.db2.gz WTDHLVVWGRXYSM-OCCSQVGLSA-N 0 3 357.418 0.277 20 30 FCEDHN C[C@H](C#N)C(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 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ZINC001573577509 947168758 /nfs/dbraw/zinc/16/87/58/947168758.db2.gz QOXXQRGEJBDCNP-VCOSZWKGSA-N 0 3 351.414 0.820 20 30 FCEDHN C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001573334124 947447595 /nfs/dbraw/zinc/44/75/95/947447595.db2.gz JXIPMBNOXYANGR-TZMCWYRMSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001573334124 947447601 /nfs/dbraw/zinc/44/76/01/947447601.db2.gz JXIPMBNOXYANGR-TZMCWYRMSA-N 0 3 359.434 0.980 20 30 FCEDHN C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574997941 950559915 /nfs/dbraw/zinc/55/99/15/950559915.db2.gz ZKOMJSCYBQJXKF-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574997941 950559932 /nfs/dbraw/zinc/55/99/32/950559932.db2.gz ZKOMJSCYBQJXKF-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN CN1CCC(O)(CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 ZINC000265895602 210245128 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CN(CCCNC(=O)C(=O)N1CCN(CCC#N)CC1)Cc1ccccc1 ZINC000602227909 491969394 /nfs/dbraw/zinc/96/93/94/491969394.db2.gz HXEDKBDUNHBBBX-UHFFFAOYSA-N 0 3 371.485 0.683 20 30 FCEDHN C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)[C@H](CN)C1 ZINC000596002058 491971200 /nfs/dbraw/zinc/97/12/00/491971200.db2.gz QTQJZDCGAITYHW-ZBFHGGJFSA-N 0 3 370.457 0.188 20 30 FCEDHN C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N2CCN(CCC#N)CC2)C1 ZINC000602238939 491971226 /nfs/dbraw/zinc/97/12/26/491971226.db2.gz KAYSDUMFFXAASF-MRXNPFEDSA-N 0 3 363.506 0.671 20 30 FCEDHN CN(C)[C@H]1CN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C[C@@H]1O ZINC000596579720 491991688 /nfs/dbraw/zinc/99/16/88/491991688.db2.gz WIXBZCQZHQISNQ-GQGLESIBSA-N 0 3 373.457 0.960 20 30 FCEDHN CC(C)C[C@H](NS(=O)(=O)N(C)CCC#N)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000603375472 492029469 /nfs/dbraw/zinc/02/94/69/492029469.db2.gz FKIVJHXZNIHFRQ-CABCVRRESA-N 0 3 373.523 0.243 20 30 FCEDHN CCCN1CC[C@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000597403322 492036218 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N#Cc1ccc(OCC(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000609132075 492198101 /nfs/dbraw/zinc/19/81/01/492198101.db2.gz HNBSQZVLYCVROQ-UHFFFAOYSA-N 0 3 356.426 0.704 20 30 FCEDHN N#CCN1CCC(NC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000610163779 492236859 /nfs/dbraw/zinc/23/68/59/492236859.db2.gz FBNBHNMUNQQGSU-HXUWFJFHSA-N 0 3 371.485 0.911 20 30 FCEDHN CCN1C(=O)[C@@H]2CN(CCC(=O)Nc3cccc(C#N)c3)CCN2C1=O ZINC000610616210 492254751 /nfs/dbraw/zinc/25/47/51/492254751.db2.gz YRPFVGABAKQIKF-HNNXBMFYSA-N 0 3 355.398 0.855 20 30 FCEDHN CS(=O)(=O)N[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000619357626 492261472 /nfs/dbraw/zinc/26/14/72/492261472.db2.gz NQPGMEHWXYDXHP-HOTGVXAUSA-N 0 3 360.439 0.781 20 30 FCEDHN C=CCOC[C@H](NC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)OC ZINC000619544187 492269106 /nfs/dbraw/zinc/26/91/06/492269106.db2.gz GTBIZLUFRZZKNG-QFBILLFUSA-N 0 3 362.426 0.484 20 30 FCEDHN N#Cc1ccccc1N1CCCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000611200757 492281221 /nfs/dbraw/zinc/28/12/21/492281221.db2.gz 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ZINC000646951897 493132114 /nfs/dbraw/zinc/13/21/14/493132114.db2.gz RDDMPGWAYNIPRL-KRWDZBQOSA-N 0 3 372.469 0.658 20 30 FCEDHN C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(CN(C)C)cc2OC)C1=O ZINC000633372880 493150596 /nfs/dbraw/zinc/15/05/96/493150596.db2.gz QFYMZWMFAYBLLH-UHFFFAOYSA-N 0 3 374.397 0.672 20 30 FCEDHN C=CC[C@@H]1N(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCCC1(C)C ZINC000659749300 493285151 /nfs/dbraw/zinc/28/51/51/493285151.db2.gz VFFOGSFJALSEIR-ZDUSSCGKSA-N 0 3 361.446 0.850 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCn3c(nnc3C(C)(C)C)C2)CC1 ZINC000668835802 493418491 /nfs/dbraw/zinc/41/84/91/493418491.db2.gz JWBSMBTWTKCTGS-UHFFFAOYSA-N 0 3 374.489 0.684 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NCc2csc(N(C)C)n2)CC1 ZINC000672355891 493758905 /nfs/dbraw/zinc/75/89/05/493758905.db2.gz PPDNZPNDSNVAIB-UHFFFAOYSA-N 0 3 351.476 0.592 20 30 FCEDHN Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c(OCCN(C)C)c1 ZINC000265822415 534170349 /nfs/dbraw/zinc/17/03/49/534170349.db2.gz QRVNULNKSQCJAH-AWEZNQCLSA-N 0 3 360.414 0.625 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)c3cnns3)C[C@H]2C)CC1 ZINC000947732492 674363295 /nfs/dbraw/zinc/36/32/95/674363295.db2.gz IJABNQXQIGLFGH-TZMCWYRMSA-N 0 3 361.471 0.460 20 30 FCEDHN N#Cc1cnn(-c2ccc(C(=O)N[C@H](CO)CN3CCCCC3)cc2)c1N ZINC000413800976 534827548 /nfs/dbraw/zinc/82/75/48/534827548.db2.gz CWALJFNWUUAVSD-INIZCTEOSA-N 0 3 368.441 0.903 20 30 FCEDHN C=CCN1CC[C@@H](N(C)C(=O)C(=O)N(C)CC2(N(C)C)CCC2)C1=O ZINC000297959808 526457553 /nfs/dbraw/zinc/45/75/53/526457553.db2.gz VDHKGJKAYWAXGR-CQSZACIVSA-N 0 3 350.463 0.174 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)N2CCN(C)C[C@H](C(=O)OC)C2)CC1 ZINC000413239901 526585137 /nfs/dbraw/zinc/58/51/37/526585137.db2.gz MPEAWWSRZGQIMH-HNNXBMFYSA-N 0 3 352.479 0.773 20 30 FCEDHN C#CCN1CCC(C(=O)NCCCN2CCN(c3ncccn3)CC2)CC1 ZINC000108932036 526923937 /nfs/dbraw/zinc/92/39/37/526923937.db2.gz ZEMSPYVKVCFXNN-UHFFFAOYSA-N 0 3 370.501 0.450 20 30 FCEDHN C#CCN1CCC(C(=O)NCCN(C)C(=O)C2CCN(CC#C)CC2)CC1 ZINC000119320594 526924950 /nfs/dbraw/zinc/92/49/50/526924950.db2.gz CPPRCXPQSWYZQS-UHFFFAOYSA-N 0 3 372.513 0.251 20 30 FCEDHN C#CCN1CCC(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 ZINC000126741642 526932877 /nfs/dbraw/zinc/93/28/77/526932877.db2.gz VFLMIWKXUCHANZ-UHFFFAOYSA-N 0 3 359.430 0.026 20 30 FCEDHN C#CCN1CCC(C(=O)Nc2ccccc2C(=O)NCCC(N)=O)CC1 ZINC000264593979 526933114 /nfs/dbraw/zinc/93/31/14/526933114.db2.gz ZYMLLTLBAUXSDG-UHFFFAOYSA-N 0 3 356.426 0.576 20 30 FCEDHN C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)c1 ZINC000174683529 527056688 /nfs/dbraw/zinc/05/66/88/527056688.db2.gz ZJKVFOSZILYXAW-JKSUJKDBSA-N 0 3 361.467 0.907 20 30 FCEDHN C#CCOc1cccc(NC(=O)C(=O)NCCCN2CCC(O)CC2)c1 ZINC000265407396 527119408 /nfs/dbraw/zinc/11/94/08/527119408.db2.gz CHVKOQYRDBNVCF-UHFFFAOYSA-N 0 3 359.426 0.600 20 30 FCEDHN C#CCOc1ccccc1NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000189770380 527130203 /nfs/dbraw/zinc/13/02/03/527130203.db2.gz VCIDFSPSXLRPKD-UHFFFAOYSA-N 0 3 372.469 0.733 20 30 FCEDHN CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC(C(=O)NCCN(C)C)CC1 ZINC000409495755 528706531 /nfs/dbraw/zinc/70/65/31/528706531.db2.gz OWWDWQCMXIKMSX-CQSZACIVSA-N 0 3 373.523 0.103 20 30 FCEDHN CN(C)C[C@H](O)CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000443158353 535955369 /nfs/dbraw/zinc/95/53/69/535955369.db2.gz YUUAPFBLNPYZIV-LLVKDONJSA-N 0 3 374.319 0.434 20 30 FCEDHN CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H](N)CCCC#N)CC2 ZINC000424121387 536113212 /nfs/dbraw/zinc/11/32/12/536113212.db2.gz FZQYSCLZSLBEPH-AWEZNQCLSA-N 0 3 350.444 0.847 20 30 FCEDHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc(C#N)s2)CC1=O ZINC000425313164 536799790 /nfs/dbraw/zinc/79/97/90/536799790.db2.gz HUEPWBFEXMAVSB-GFCCVEGCSA-N 0 3 350.444 0.529 20 30 FCEDHN CCN1CCC(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000551806243 546537014 /nfs/dbraw/zinc/53/70/14/546537014.db2.gz RXGRSXNTQVPZRN-UHFFFAOYSA-N 0 3 350.444 0.437 20 30 FCEDHN C[C@@H](NC(=O)N1CCC(CNS(C)(=O)=O)CC1)C1=CCN(C)CC1 ZINC000329536751 546556592 /nfs/dbraw/zinc/55/65/92/546556592.db2.gz LYJZCGXQTFVJLQ-CYBMUJFWSA-N 0 3 358.508 0.812 20 30 FCEDHN C[C@@H](N[C@H](CC(N)=O)C1CCOCC1)C(=O)NC1(C#N)CCCCC1 ZINC000181942465 546570292 /nfs/dbraw/zinc/57/02/92/546570292.db2.gz NCYCEBAIJZHHQG-UKRRQHHQSA-N 0 3 350.463 0.978 20 30 FCEDHN CS(=O)(=O)NC1CC(NCCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000591766195 546940213 /nfs/dbraw/zinc/94/02/13/546940213.db2.gz OBPQCVFJWCZSKJ-UHFFFAOYSA-N 0 3 357.457 0.002 20 30 FCEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000593426583 546968511 /nfs/dbraw/zinc/96/85/11/546968511.db2.gz NAYDCIPWZNHFKW-HNNXBMFYSA-N 0 3 350.444 0.140 20 30 FCEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCNC(=O)[C@@H]1C)C(C)C ZINC000550838751 547111413 /nfs/dbraw/zinc/11/14/13/547111413.db2.gz LIZWCVSYPGYJBE-LSDHHAIUSA-N 0 3 350.463 0.148 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000553328024 547269976 /nfs/dbraw/zinc/26/99/76/547269976.db2.gz BOPQAUHKUUJPFH-MRXNPFEDSA-N 0 3 350.507 0.990 20 30 FCEDHN C#CCOc1ccccc1C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000735387887 598962329 /nfs/dbraw/zinc/96/23/29/598962329.db2.gz JOBFKFYRQXDMAR-CYBMUJFWSA-N 0 3 364.413 0.907 20 30 FCEDHN C#CCOc1ccccc1C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000735387887 598962332 /nfs/dbraw/zinc/96/23/32/598962332.db2.gz JOBFKFYRQXDMAR-CYBMUJFWSA-N 0 3 364.413 0.907 20 30 FCEDHN N#CC(C(=O)CSc1nnnn1CC(F)(F)F)C(=O)N1CCCC1 ZINC000730071490 665852543 /nfs/dbraw/zinc/85/25/43/665852543.db2.gz NQKMURUUOPWEGN-MRVPVSSYSA-N 0 3 362.337 0.659 20 30 FCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1CN(S(C)(=O)=O)C1 ZINC000900248504 665972984 /nfs/dbraw/zinc/97/29/84/665972984.db2.gz JNAKCRGVZQUMNH-UHFFFAOYSA-N 0 3 364.471 0.340 20 30 FCEDHN C[C@]1(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CN2CCC1CC2 ZINC000892801614 664145862 /nfs/dbraw/zinc/14/58/62/664145862.db2.gz XJNKJIQTYDGHQQ-KRWDZBQOSA-N 0 3 362.455 0.326 20 30 FCEDHN CN(C)CC#CCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000913515404 666531641 /nfs/dbraw/zinc/53/16/41/666531641.db2.gz WERXQSYYBDKHER-UHFFFAOYSA-N 0 3 362.455 0.187 20 30 FCEDHN CN(C)CC#CCNC(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000913517801 666531970 /nfs/dbraw/zinc/53/19/70/666531970.db2.gz PXOLJPLMZWGIDR-UHFFFAOYSA-N 0 3 353.419 0.561 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)C(C)(C)F)C[C@H]2OC)CC1 ZINC000942128092 666705580 /nfs/dbraw/zinc/70/55/80/666705580.db2.gz GXTGUMTVKKXULG-HUUCEWRRSA-N 0 3 353.438 0.422 20 30 FCEDHN CNC(=O)C(C#N)C(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000730921782 666801213 /nfs/dbraw/zinc/80/12/13/666801213.db2.gz FDYNAKXZIOTJPD-NEPJUHHUSA-N 0 3 362.773 1.000 20 30 FCEDHN C[C@H](Oc1cccc(F)c1)C(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000732908077 666910072 /nfs/dbraw/zinc/91/00/72/666910072.db2.gz HNBUVGRPTPPQLA-SMDDNHRTSA-N 0 3 368.386 0.559 20 30 FCEDHN CCc1cccc(OCC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)c1 ZINC000732908908 666910414 /nfs/dbraw/zinc/91/04/14/666910414.db2.gz UFUFFXHUHFVFLA-OAHLLOKOSA-N 0 3 364.423 0.594 20 30 FCEDHN CCOCCCNC(=O)C(C#N)C(=O)Cn1cc(Br)cn1 ZINC000916866994 667034150 /nfs/dbraw/zinc/03/41/50/667034150.db2.gz QKSDVARGSKLVRA-NSHDSACASA-N 0 3 357.208 0.897 20 30 FCEDHN COCCNC(=O)C(C#N)C(=O)CCCNC(=O)NC1CCCCC1 ZINC000916890169 667035992 /nfs/dbraw/zinc/03/59/92/667035992.db2.gz FSVJVLAJXMLGQQ-CQSZACIVSA-N 0 3 352.435 0.870 20 30 FCEDHN N#CC(C(=O)CCSc1ccccn1)C(=O)N1CCS(=O)(=O)CC1 ZINC000756274311 667668823 /nfs/dbraw/zinc/66/88/23/667668823.db2.gz CICBKKPVEKYUKL-GFCCVEGCSA-N 0 3 367.452 0.530 20 30 FCEDHN C=CCn1nnn(CN2CCN(C(=O)CN3CCCC3)CC2)c1=S ZINC000738161092 667905912 /nfs/dbraw/zinc/90/59/12/667905912.db2.gz NGAZTFDHLDOPKQ-UHFFFAOYSA-N 0 3 351.480 0.193 20 30 FCEDHN C=CCN(C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C(C)C ZINC000839248877 667984586 /nfs/dbraw/zinc/98/45/86/667984586.db2.gz VBPYZLAFSBKRGV-UHFFFAOYSA-N 0 3 350.463 0.176 20 30 FCEDHN C[C@@H](CC(=O)NCCC[NH+](C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742465531 668036033 /nfs/dbraw/zinc/03/60/33/668036033.db2.gz JEQMXAPLTVEKDV-LBPRGKRZSA-N 0 3 352.460 0.572 20 30 FCEDHN CCOC(=O)CON=C(C(=O)N(C)[C@@H]1CCCN(C)C1)c1ccn[nH]1 ZINC000789988033 668868967 /nfs/dbraw/zinc/86/89/67/668868967.db2.gz ZCNUYFCGVHQVCS-GFCCVEGCSA-N 0 3 351.407 0.246 20 30 FCEDHN CC1(C)C[NH2+]CC[C@@H]1NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000818594248 668918626 /nfs/dbraw/zinc/91/86/26/668918626.db2.gz BGPLTDFGTGVSGT-ZDUSSCGKSA-N 0 3 350.444 0.229 20 30 FCEDHN C#CCN(C)CCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21 ZINC000818595877 668918662 /nfs/dbraw/zinc/91/86/62/668918662.db2.gz PZFWYHFTTCISRA-YCPHGPKFSA-N 0 3 352.504 0.784 20 30 FCEDHN CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)C(C#N)C(=O)NC1CC1 ZINC000796793692 669127061 /nfs/dbraw/zinc/12/70/61/669127061.db2.gz PZQJMBVEYSEVGN-QWHCGFSZSA-N 0 3 351.403 1.000 20 30 FCEDHN C#CCN(C)CCCNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C ZINC000823187834 669325795 /nfs/dbraw/zinc/32/57/95/669325795.db2.gz KDSQROWPHWHBHY-HNNXBMFYSA-N 0 3 352.479 0.609 20 30 FCEDHN C#CCN1CCC(C(=O)NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000804496206 669382478 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364.471 0.844 20 30 FCEDHN C#CCN(C)CCCNC(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000836490257 670051539 /nfs/dbraw/zinc/05/15/39/670051539.db2.gz PTBLBLPOZHRNKE-OAHLLOKOSA-N 0 3 358.508 0.255 20 30 FCEDHN C[NH2+]CCCN(C)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000818013793 670056473 /nfs/dbraw/zinc/05/64/73/670056473.db2.gz FQDXUMWCFQATMY-GFCCVEGCSA-N 0 3 352.460 0.572 20 30 FCEDHN C#CCN(C)CCCNC(=O)N1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000868652385 672406434 /nfs/dbraw/zinc/40/64/34/672406434.db2.gz DPGIMGIJWCAXTR-UHFFFAOYSA-N 0 3 364.471 0.357 20 30 FCEDHN CC(C)C#CC(=O)NCCN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055572957 676024363 /nfs/dbraw/zinc/02/43/63/676024363.db2.gz MDCQYQPTRPTXEZ-HUUCEWRRSA-N 0 3 350.419 0.008 20 30 FCEDHN O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870973825 672523225 /nfs/dbraw/zinc/52/32/25/672523225.db2.gz GIXVUBFLRXQLDE-CLLJXQQHSA-N 0 3 362.455 0.372 20 30 FCEDHN N#C[C@@H]1CNCC12CC(C(=O)NCCS(=O)(=O)Cc1ccccc1)C2 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QLQDBNOYRIWBIV-BZUAXINKSA-N 0 3 359.430 0.061 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1c1ccccc1 ZINC001211734408 1180469628 /nfs/dbraw/zinc/46/96/28/1180469628.db2.gz SWIMEKSTQYSDAH-ZWKOTPCHSA-N 0 3 367.453 0.770 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1O ZINC001023960868 1180612877 /nfs/dbraw/zinc/61/28/77/1180612877.db2.gz XSEWEHCMWBZEQI-VQHPVUNQSA-N 0 3 365.474 0.140 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCN3CCC)C2)cc1 ZINC001024122488 1180852781 /nfs/dbraw/zinc/85/27/81/1180852781.db2.gz ZKPIZTWWYZXGTE-CEXWTWQISA-N 0 3 369.465 0.844 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@]34C[C@H]3CCC4)C[C@H]2O)CC1 ZINC001024130162 1180859255 /nfs/dbraw/zinc/85/92/55/1180859255.db2.gz CKCCRDMSHXEXPP-WOCWXWTJSA-N 0 3 359.470 0.210 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)c3ccncc3C)C[C@H]2O)CC1 ZINC001024131360 1180860511 /nfs/dbraw/zinc/86/05/11/1180860511.db2.gz HHQXJVHNXUMKQL-QZTJIDSGSA-N 0 3 370.453 0.037 20 30 FCEDHN 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C#CCN1CCC(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CC[C@@H](C)O3)C2)CC1 ZINC000978908215 1186027050 /nfs/dbraw/zinc/02/70/50/1186027050.db2.gz FICAIOFGPUTJNF-XYVMCAHJSA-N 0 3 361.486 0.910 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H](CNC(=O)[C@]34C[C@H]3COC4)C2)CC1 ZINC000979903300 1186137252 /nfs/dbraw/zinc/13/72/52/1186137252.db2.gz SKBAIMUOTSRIRW-VERUCKTNSA-N 0 3 359.470 0.379 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(CCO)C(=O)CN1CCC[C@H]1C ZINC001058845830 1186244190 /nfs/dbraw/zinc/24/41/90/1186244190.db2.gz XJZXGZTUWJPRLL-RYRKJORJSA-N 0 3 367.490 0.389 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1c1ccccc1 ZINC001211707392 1186677574 /nfs/dbraw/zinc/67/75/74/1186677574.db2.gz QEWXPVLGKUFUMX-DLBZAZTESA-N 0 3 368.437 0.488 20 30 FCEDHN C=CCN1CC[C@H](N2C[C@@H]3CCN(C(=O)c4cn(C)nc4C)[C@@H]3C2)C1=O ZINC001075624558 1187471723 /nfs/dbraw/zinc/47/17/23/1187471723.db2.gz POWBQDUVMYOGRE-BHYGNILZSA-N 0 3 357.458 0.662 20 30 FCEDHN CN(CC(=O)N1CC[C@@]2(C1)CN(CCCC#N)C(=O)CO2)C1CCCC1 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GGKSUOWXHASIPC-FGTMMUONSA-N 0 3 367.453 0.862 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)c3ncc[nH]3)[C@@H]2CC)CC1 ZINC000984988974 1190399092 /nfs/dbraw/zinc/39/90/92/1190399092.db2.gz MYABBVPPPJEBCJ-JKSUJKDBSA-N 0 3 357.458 0.864 20 30 FCEDHN C=CCN1CC[C@H](N2CC[C@@H]3CN(C(=O)Cc4ncc[nH]4)C[C@@H]3C2)C1=O ZINC001088151841 1190677549 /nfs/dbraw/zinc/67/75/49/1190677549.db2.gz WWNHOLODEYSRFW-PMPSAXMXSA-N 0 3 357.458 0.519 20 30 FCEDHN C=CCOCC(=O)N1CCO[C@@H]2CN(CCCCCn3cncn3)C[C@@H]21 ZINC001217538303 1224111998 /nfs/dbraw/zinc/11/19/98/1224111998.db2.gz RHNJLDURLOZEIY-DLBZAZTESA-N 0 3 363.462 0.563 20 30 FCEDHN N#Cc1ccc(CN2C[C@@H]3CCN(C(=O)C[C@@H]4NC(=O)NC4=O)[C@@H]3C2)cc1 ZINC001075896581 1191149393 /nfs/dbraw/zinc/14/93/93/1191149393.db2.gz RRQULYMGSNWTLC-HRCADAONSA-N 0 3 367.409 0.189 20 30 FCEDHN COCC#CCN1C[C@H]2OCCN(C(=O)[C@H]3CCCc4[nH]ncc43)[C@H]2C1 ZINC001217903714 1224131615 /nfs/dbraw/zinc/13/16/15/1224131615.db2.gz IAORHYHVMZMUQN-JCGIZDLHSA-N 0 3 358.442 0.391 20 30 FCEDHN C=CCOCCN1C[C@H]2OCCN(C(=O)[C@@H]3CCCc4c[nH]nc43)[C@H]2C1 ZINC001217903334 1224131729 /nfs/dbraw/zinc/13/17/29/1224131729.db2.gz CYZRMVGNRFHGIQ-IXDOHACOSA-N 0 3 360.458 0.944 20 30 FCEDHN C=CCCN1C[C@H]2OCCN(C(=O)CCNC(=O)c3ccncc3)[C@H]2C1 ZINC001218057629 1224137571 /nfs/dbraw/zinc/13/75/71/1224137571.db2.gz ORMIUNGSKSKIQL-DLBZAZTESA-N 0 3 358.442 0.689 20 30 FCEDHN C=CCCCN1C[C@H]2OCCN(C(=O)c3ccc(-n4cnnn4)cn3)[C@H]2C1 ZINC001218346939 1224155398 /nfs/dbraw/zinc/15/53/98/1224155398.db2.gz JTKUMAQKIICWGJ-DLBZAZTESA-N 0 3 369.429 0.549 20 30 FCEDHN C#CCN1CCC(C(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)CC1 ZINC000088305292 1193762034 /nfs/dbraw/zinc/76/20/34/1193762034.db2.gz RZZLBJGWZGBRIB-QGZVFWFLSA-N 0 3 360.502 0.487 20 30 FCEDHN CN(C)C(=O)CN1CCC2(C1)CCN(C(=O)C#Cc1ccn(C)n1)CC2 ZINC001272211436 1193795911 /nfs/dbraw/zinc/79/59/11/1193795911.db2.gz FWIQPGTYJUYGOF-UHFFFAOYSA-N 0 3 357.458 0.174 20 30 FCEDHN C#CCCCC(=O)N1C[C@]2(C[C@@H](O)[C@H](NCC(=O)NCC)C2)[C@@H]1C(C)C ZINC001105626688 1193842636 /nfs/dbraw/zinc/84/26/36/1193842636.db2.gz FVQFIQNPNUALLK-YKCBXCCJSA-N 0 3 363.502 0.892 20 30 FCEDHN CC(C)C#CC(=O)N1C[C@@]2(C[C@@H](O)[C@H](NCC(=O)N(C)C)C2)[C@@H]1C(C)C ZINC001105626791 1193842643 /nfs/dbraw/zinc/84/26/43/1193842643.db2.gz HQAFYPFFWAAMGZ-YAJHFMINSA-N 0 3 363.502 0.700 20 30 FCEDHN CN1CCN(c2cc(NC(=O)[C@@H](N)Cc3ccccc3C#N)ncn2)CC1 ZINC001218572161 1224176038 /nfs/dbraw/zinc/17/60/38/1224176038.db2.gz FTLDBMXRCNNPQJ-INIZCTEOSA-N 0 3 365.441 0.609 20 30 FCEDHN CC(C)[C@H]1N(C(=O)C(C)(C)C)C[C@@]12C[C@@H](O)[C@H](NCC(=O)NCC#N)C2 ZINC001105667881 1193943641 /nfs/dbraw/zinc/94/36/41/1193943641.db2.gz GBPQSUZRXRRADU-NPNMTCQASA-N 0 3 364.490 0.638 20 30 FCEDHN C=CCN1CC[C@H](N2C[C@@H]3CCN(C(=O)c4cn(C)c(=O)[nH]4)[C@@H]3C2)C1=O ZINC001076207527 1194353410 /nfs/dbraw/zinc/35/34/10/1194353410.db2.gz AWKSHXUXDRHBFY-AEGPPILISA-N 0 3 359.430 0.059 20 30 FCEDHN C=CCN1CC[C@H](N2C[C@@H]3CCN(C(=O)Cn4nccc4C)[C@@H]3C2)C1=O ZINC001076305434 1194389989 /nfs/dbraw/zinc/38/99/89/1194389989.db2.gz AAOCVJGPKMLPKL-YESZJQIVSA-N 0 3 357.458 0.511 20 30 FCEDHN C#CCOc1ccc(C(=O)N2CC[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)cc1 ZINC001076333986 1194405448 /nfs/dbraw/zinc/40/54/48/1194405448.db2.gz NCLUTTLKUFXAFZ-RYQLBKOJSA-N 0 3 353.422 0.733 20 30 FCEDHN C=CCN1CC[C@@H](N2C[C@@H]3CCN(C(=O)c4ccc(=O)[nH]c4)[C@@H]3C2)C1=O ZINC001076526718 1194540041 /nfs/dbraw/zinc/54/00/41/1194540041.db2.gz WVYLLRVZFLWZRI-ARFHVFGLSA-N 0 3 356.426 0.720 20 30 FCEDHN C#CCN1CCC(C(=O)N2CC[C@H]3CN([C@H](C)C(=O)N(C)C)C[C@H]32)CC1 ZINC001076605719 1194593731 /nfs/dbraw/zinc/59/37/31/1194593731.db2.gz PCTVKQDNBKOOBX-BPQIPLTHSA-N 0 3 360.502 0.341 20 30 FCEDHN C=CCC[C@@H](C)N1C[C@H]2OCCN(C(=O)COCc3nncn3C)[C@H]2C1 ZINC001218880811 1224246065 /nfs/dbraw/zinc/24/60/65/1224246065.db2.gz KWRIVLXZUUKIOY-OWCLPIDISA-N 0 3 363.462 0.598 20 30 FCEDHN C#CCN1CCC(C(=O)NCC[C@H](C)NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001076916095 1195074515 /nfs/dbraw/zinc/07/45/15/1195074515.db2.gz TURWVANEGGOUDK-GGURZLOHSA-N 0 3 373.497 0.766 20 30 FCEDHN CCOC(=O)c1cc(C#N)c(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)c(C)c1[O-] ZINC001218934720 1224264943 /nfs/dbraw/zinc/26/49/43/1224264943.db2.gz JWJUPBQGTNSHDT-CYBMUJFWSA-N 0 3 374.397 0.018 20 30 FCEDHN N#Cc1ccc(CN2CCCN(C[C@@H](O)C[C@@]3(O)CCOC3)CC2)cc1 ZINC000905900435 1195605453 /nfs/dbraw/zinc/60/54/53/1195605453.db2.gz OWDPYTDKYHDEIG-PMACEKPBSA-N 0 3 359.470 0.968 20 30 FCEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)CCC(=O)N3CCOCC3)[C@H]2C1 ZINC001219021410 1224295727 /nfs/dbraw/zinc/29/57/27/1224295727.db2.gz QIDCSNSRHBYIIE-DLBZAZTESA-N 0 3 365.474 0.503 20 30 FCEDHN CN1CCN(Cc2ccc(CNC(=O)N3CC[C@](O)(CC#N)C3)cc2)CC1 ZINC000591907834 1196534167 /nfs/dbraw/zinc/53/41/67/1196534167.db2.gz PQLSWCLZJRLAAL-HXUWFJFHSA-N 0 3 371.485 0.994 20 30 FCEDHN CN(C)c1nccc(N2CCN(C[C@@H]3CNc4c(C#N)cnn4C3)CC2)n1 ZINC000592499757 1196628979 /nfs/dbraw/zinc/62/89/79/1196628979.db2.gz GCPMSSRZWICEIG-AWEZNQCLSA-N 0 3 367.461 0.475 20 30 FCEDHN N#Cc1cccc(CN2CCC(NC(=O)C(=O)N3CCNCC3)CC2)c1 ZINC000593781739 1196820525 /nfs/dbraw/zinc/82/05/25/1196820525.db2.gz JVULPHRGSPYDLB-UHFFFAOYSA-N 0 3 355.442 0.071 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(Cc3ncnn3CC)[C@@H]2C)CC1 ZINC001089060158 1196879736 /nfs/dbraw/zinc/87/97/36/1196879736.db2.gz WKLDBMBVIHURAS-WBVHZDCISA-N 0 3 358.490 0.722 20 30 FCEDHN CC(C)N(C)CC(=O)N1C[C@@H](Nc2ccncc2C#N)[C@@H](n2ccnn2)C1 ZINC001089089230 1196894015 /nfs/dbraw/zinc/89/40/15/1196894015.db2.gz CBPMGTKRFCUPBW-SJORKVTESA-N 0 3 368.445 0.171 20 30 FCEDHN CCN(CC)CC(=O)N1C[C@@H](Nc2nccnc2C#N)[C@@H](n2ccnn2)C1 ZINC001089089415 1196894978 /nfs/dbraw/zinc/89/49/78/1196894978.db2.gz HJRJXQPUMDNKAE-CABCVRRESA-N 0 3 369.433 0.146 20 30 FCEDHN C#CCN1CCC(C(=O)NCC2CC(NC(=O)[C@H]3CC[C@@H](C)O3)C2)CC1 ZINC000992184255 1197005951 /nfs/dbraw/zinc/00/59/51/1197005951.db2.gz FICAIOFGPUTJNF-VSVYTNTFSA-N 0 3 361.486 0.910 20 30 FCEDHN C#CCOCCC(=O)N1C[C@@H](CNCc2nnc(C3CC3)n2C)[C@H](C)C1 ZINC001106114568 1197026568 /nfs/dbraw/zinc/02/65/68/1197026568.db2.gz CQRFKGAGTVOYKZ-GDBMZVCRSA-N 0 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ZINC000735589258 1197864017 /nfs/dbraw/zinc/86/40/17/1197864017.db2.gz GEZOUQCESKGIFX-RDJZCZTQSA-N 0 3 357.410 0.617 20 30 FCEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000740743755 1198045422 /nfs/dbraw/zinc/04/54/22/1198045422.db2.gz AYKNNHWVIXMRJX-DNZUHHBVSA-N 0 3 364.446 0.472 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(NC(=O)COC)cc2)CC1 ZINC000743945922 1198299062 /nfs/dbraw/zinc/29/90/62/1198299062.db2.gz DGJVWLZQFNJFJZ-UHFFFAOYSA-N 0 3 374.441 0.977 20 30 FCEDHN N#CCn1cc(NC(=O)C(=O)NCCCN2CCc3ccccc3C2)cn1 ZINC000746354626 1199009267 /nfs/dbraw/zinc/00/92/67/1199009267.db2.gz WKJDHHWSSNZSSJ-UHFFFAOYSA-N 0 3 366.425 0.910 20 30 FCEDHN COCC#CCN[C@@H]1CN(C(=O)c2cc(C)n[nH]2)C[C@H]1c1cnn(C)c1 ZINC001691695225 1199039327 /nfs/dbraw/zinc/03/93/27/1199039327.db2.gz XXPFGRGJXWGFLN-DOTOQJQBSA-N 0 3 356.430 0.299 20 30 FCEDHN COCC#CCN[C@@H]1CN(C(=O)c2cc(C)[nH]n2)C[C@H]1c1cnn(C)c1 ZINC001691695225 1199039333 /nfs/dbraw/zinc/03/93/33/1199039333.db2.gz XXPFGRGJXWGFLN-DOTOQJQBSA-N 0 3 356.430 0.299 20 30 FCEDHN CCN(CC)C[C@H](F)C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001219732567 1224584004 /nfs/dbraw/zinc/58/40/04/1224584004.db2.gz YUFNPRNVDXEWNY-KSZLIROESA-N 0 3 362.449 0.899 20 30 FCEDHN COCCOC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C#N)[nH]1)C2 ZINC001109156009 1200078569 /nfs/dbraw/zinc/07/85/69/1200078569.db2.gz DODBALAXLPYLMM-JHNDHUHGSA-N 0 3 362.430 0.245 20 30 FCEDHN COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C#N)[nH]1)C2 ZINC001109156010 1200078664 /nfs/dbraw/zinc/07/86/64/1200078664.db2.gz DODBALAXLPYLMM-OHFALNGGSA-N 0 3 362.430 0.245 20 30 FCEDHN C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3nn[n-]c3n1)C2 ZINC001109377515 1200229587 /nfs/dbraw/zinc/22/95/87/1200229587.db2.gz QZCXCSFGYHYULE-JLUCKKNBSA-N 0 3 369.429 0.379 20 30 FCEDHN C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3nn[n-]c3n1)C2 ZINC001109377515 1200229600 /nfs/dbraw/zinc/22/96/00/1200229600.db2.gz QZCXCSFGYHYULE-JLUCKKNBSA-N 0 3 369.429 0.379 20 30 FCEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cn1cccn1)N(C)C)C2 ZINC001109400615 1200250063 /nfs/dbraw/zinc/25/00/63/1200250063.db2.gz NNPHIXQEAJMMEX-OWSLCNJRSA-N 0 3 361.490 0.737 20 30 FCEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(C(N)=O)nc1)C2 ZINC001109448530 1200294769 /nfs/dbraw/zinc/29/47/69/1200294769.db2.gz WSMKQBGHLBCAKJ-PVAVHDDUSA-N 0 3 358.442 0.647 20 30 FCEDHN CCN(CCO)CCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000769518537 1200319038 /nfs/dbraw/zinc/31/90/38/1200319038.db2.gz ANLOBZLIOGOPCJ-KGLIPLIRSA-N 0 3 369.466 0.359 20 30 FCEDHN C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)N1CCCC1)C2 ZINC001109555151 1200386040 /nfs/dbraw/zinc/38/60/40/1200386040.db2.gz JCNHGFDYLXRWIH-VUHPKUFZSA-N 0 3 360.502 0.885 20 30 FCEDHN C#CCC1(C(=O)N[C@@H]2CN(CC[C@H]3CCCCO3)C[C@@H]2O)CCOCC1 ZINC001219779883 1224610147 /nfs/dbraw/zinc/61/01/47/1224610147.db2.gz DZRPNNVVLIFSPJ-KURKYZTESA-N 0 3 364.486 0.927 20 30 FCEDHN CN(C)[C@@H](C(=O)N[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@@H]1O)C1CC1 ZINC001219803842 1224623195 /nfs/dbraw/zinc/62/31/95/1224623195.db2.gz GTEPOFQOXGHNFF-FGTMMUONSA-N 0 3 360.433 0.699 20 30 FCEDHN CCOC(=O)CON=C(C(=O)N1CCC[C@H]1c1ncc[nH]1)c1cc[nH]n1 ZINC000772518659 1200749192 /nfs/dbraw/zinc/74/91/92/1200749192.db2.gz SWIQWCITIJZKKD-LBPRGKRZSA-N 0 3 360.374 0.780 20 30 FCEDHN N#CC(C(=O)Cc1nc2ncccn2n1)C(=O)NCc1ccc(F)c(F)c1 ZINC000786571002 1200843599 /nfs/dbraw/zinc/84/35/99/1200843599.db2.gz MWLJNEMCTDNJMP-LLVKDONJSA-N 0 3 370.319 0.970 20 30 FCEDHN C[C@H](NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(C#N)cc1 ZINC000787349900 1200880301 /nfs/dbraw/zinc/88/03/01/1200880301.db2.gz NYDRYUXVCPLKIP-RRQGHBQHSA-N 0 3 356.426 0.715 20 30 FCEDHN CC(C)[C@@H](C(=O)N[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@@H]1O)N(C)C ZINC001219842337 1224650230 /nfs/dbraw/zinc/65/02/30/1224650230.db2.gz MASPOQAGHNRKRX-SQNIBIBYSA-N 0 3 362.449 0.945 20 30 FCEDHN COCCCNC(=O)C(C#N)C(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000793123044 1201225935 /nfs/dbraw/zinc/22/59/35/1201225935.db2.gz LMOWMNIIYAXPQN-CQSZACIVSA-N 0 3 373.413 0.933 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)CCc2cncn2C)[C@@H](n2ccnn2)C1 ZINC001129412133 1201300252 /nfs/dbraw/zinc/30/02/52/1201300252.db2.gz JMPPPLJXWHTJDQ-SJORKVTESA-N 0 3 357.462 0.952 20 30 FCEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2c[nH]c(C(N)=O)c2)[C@@H](n2ccnn2)C1 ZINC001129438436 1201318424 /nfs/dbraw/zinc/31/84/24/1201318424.db2.gz VGRPODWNWAMZLZ-WQVCFCJDSA-N 0 3 371.445 0.715 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)CCc2cn(C)nn2)[C@@H](n2ccnn2)C1 ZINC001129496490 1201334206 /nfs/dbraw/zinc/33/42/06/1201334206.db2.gz OJRKUYSJCQYCCD-CVEARBPZSA-N 0 3 358.450 0.347 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)[C@@H](C)n2cccn2)C[C@@H]1n1ccnn1 ZINC001129603849 1201352858 /nfs/dbraw/zinc/35/28/58/1201352858.db2.gz MQZCJOZBIKIABX-OAGGEKHMSA-N 0 3 359.434 0.280 20 30 FCEDHN C=CCOCC(=O)N1C[C@@H](NCCO[C@@H]2CC2(F)F)[C@@H](n2ccnn2)C1 ZINC001129681350 1201368793 /nfs/dbraw/zinc/36/87/93/1201368793.db2.gz PBUWXIFWUOGQBL-HZSPNIEDSA-N 0 3 371.388 0.246 20 30 FCEDHN N#Cc1c[nH]c(C(=O)N2C[C@@H](NCCOCC3CC3)[C@@H](n3ccnn3)C2)c1 ZINC001129737267 1201381574 /nfs/dbraw/zinc/38/15/74/1201381574.db2.gz LDLFEZPKCIKYTN-SJORKVTESA-N 0 3 369.429 0.560 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)Cc2cccnc2)C[C@@H]1n1ccnn1 ZINC001129742452 1201387112 /nfs/dbraw/zinc/38/71/12/1201387112.db2.gz WMYLOJNQEZGSFM-SJORKVTESA-N 0 3 356.430 0.460 20 30 FCEDHN N#Cc1ccc(C(=O)N2C[C@@H](NCCOCC3CC3)[C@@H](n3ccnn3)C2)[nH]1 ZINC001129778670 1201395851 /nfs/dbraw/zinc/39/58/51/1201395851.db2.gz ZOJQBOSUVHLKRB-SJORKVTESA-N 0 3 369.429 0.560 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)Cc2ccncc2C)C[C@@H]1n1ccnn1 ZINC001129844084 1201404081 /nfs/dbraw/zinc/40/40/81/1201404081.db2.gz BHYFZLFBHYDVBE-MSOLQXFVSA-N 0 3 370.457 0.768 20 30 FCEDHN C#CCCOc1ccc(C(=O)N2C[C@@H](NCCO)[C@@H](n3ccnn3)C2)cc1 ZINC001129844739 1201404224 /nfs/dbraw/zinc/40/42/24/1201404224.db2.gz IOFOGMIDOQDGPB-MSOLQXFVSA-N 0 3 369.425 0.328 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NCCOCC)[C@@H](n2ccnn2)C1 ZINC001129855436 1201405809 /nfs/dbraw/zinc/40/58/09/1201405809.db2.gz KWWFZBKVGXUFMC-NCOADZHNSA-N 0 3 363.462 0.637 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)CCc2ccncc2)C[C@@H]1n1ccnn1 ZINC001129919194 1201441059 /nfs/dbraw/zinc/44/10/59/1201441059.db2.gz QAYNLAKGXPATDE-MSOLQXFVSA-N 0 3 370.457 0.850 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](NC(C)=O)C2CCCC2)C[C@@H]1n1ccnn1 ZINC001129927192 1201444942 /nfs/dbraw/zinc/44/49/42/1201444942.db2.gz PRMIYFLAOMUXMR-IKGGRYGDSA-N 0 3 360.462 0.501 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2conc2CC)C[C@@H]1n1ccnn1 ZINC001129995890 1201465136 /nfs/dbraw/zinc/46/51/36/1201465136.db2.gz PACPLQUQALZHGF-CVEARBPZSA-N 0 3 360.418 0.686 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CN(C)C(=O)c2ccccc2)C[C@@H]1n1ccnn1 ZINC001129987048 1201468732 /nfs/dbraw/zinc/46/87/32/1201468732.db2.gz VTRFWBVSWVMELN-SJORKVTESA-N 0 3 368.441 0.578 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2ccc(OC)o2)C[C@@H]1n1ccnn1 ZINC001130054415 1201483351 /nfs/dbraw/zinc/48/33/51/1201483351.db2.gz BRONSRRAANRASS-KGLIPLIRSA-N 0 3 361.402 0.738 20 30 FCEDHN COCCN[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@@H]1n1ccnn1 ZINC001130133781 1201513500 /nfs/dbraw/zinc/51/35/00/1201513500.db2.gz CQDSEWTYXFYDOO-MSOLQXFVSA-N 0 3 353.426 0.708 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H](c2ccccc2)N(C)C)C[C@@H]1n1ccnn1 ZINC001130140011 1201516203 /nfs/dbraw/zinc/51/62/03/1201516203.db2.gz MHXWPZHUZFFKKE-CEXWTWQISA-N 0 3 366.469 0.946 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](CC)OCC)[n-]1 ZINC001130190537 1201529365 /nfs/dbraw/zinc/52/93/65/1201529365.db2.gz DXSIJQMTNJDCPY-KKUMJFAQSA-N 0 3 363.462 0.721 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c(C)noc2C)[n-]1 ZINC001130183151 1201536618 /nfs/dbraw/zinc/53/66/18/1201536618.db2.gz SGPUKVALBNZZBF-STQMWFEESA-N 0 3 358.402 0.435 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)n2cccn2)[n-]1 ZINC001130184879 1201539046 /nfs/dbraw/zinc/53/90/46/1201539046.db2.gz LFOYZJKDCSPLFL-KKUMJFAQSA-N 0 3 371.445 0.364 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2coc(CC)n2)[n-]1 ZINC001130204677 1201539284 /nfs/dbraw/zinc/53/92/84/1201539284.db2.gz DBQZNHBTMVZELC-AAEUAGOBSA-N 0 3 358.402 0.380 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)COCCCC)[n-]1 ZINC001130203346 1201539923 /nfs/dbraw/zinc/53/99/23/1201539923.db2.gz YZHIFAHHMLHRRJ-GJZGRUSLSA-N 0 3 363.462 0.723 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c(C)ncn2C)[n-]1 ZINC001130215976 1201547162 /nfs/dbraw/zinc/54/71/62/1201547162.db2.gz LBEPVJVBAWTKMW-KBPBESRZSA-N 0 3 371.445 0.262 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(CCOC)CC2)[n-]1 ZINC001130216334 1201547177 /nfs/dbraw/zinc/54/71/77/1201547177.db2.gz UADXSSMYKAVOHR-KBPBESRZSA-N 0 3 361.446 0.333 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc3occc3[nH]2)[n-]1 ZINC001130215978 1201547210 /nfs/dbraw/zinc/54/72/10/1201547210.db2.gz LDVHSRIKWFJKQP-NHYWBVRUSA-N 0 3 368.397 0.904 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2c2ccco2)[n-]1 ZINC001130239958 1201549338 /nfs/dbraw/zinc/54/93/38/1201549338.db2.gz FHDCZIRIGOFOJF-NHIYQJMISA-N 0 3 369.425 0.913 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2onc(C)c2C)[n-]1 ZINC001130221067 1201550977 /nfs/dbraw/zinc/55/09/77/1201550977.db2.gz SAJUTBZWBQKSOV-STQMWFEESA-N 0 3 358.402 0.435 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC(C)(C)COC)[n-]1 ZINC001130224879 1201554485 /nfs/dbraw/zinc/55/44/85/1201554485.db2.gz GYKGQJAOAVYURH-KBPBESRZSA-N 0 3 363.462 0.579 20 30 FCEDHN CC[C@@H](F)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#CCOC)[n-]1 ZINC001130230514 1201557258 /nfs/dbraw/zinc/55/72/58/1201557258.db2.gz YFEQXYWNLXFPRQ-MJBXVCDLSA-N 0 3 367.425 0.281 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@]2(F)CCOC2)[n-]1 ZINC001130234670 1201557946 /nfs/dbraw/zinc/55/79/46/1201557946.db2.gz HFHYBIUEJDHHGW-GDZNZVCISA-N 0 3 365.409 0.035 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCO[C@H]2C(=C)C)[n-]1 ZINC001130242333 1201562877 /nfs/dbraw/zinc/56/28/77/1201562877.db2.gz RNKNHWLRZWFULT-JKQORVJESA-N 0 3 373.457 0.497 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccn(C(C)C)n2)[n-]1 ZINC001130242188 1201562934 /nfs/dbraw/zinc/56/29/34/1201562934.db2.gz LCDBPGOGWMIWIQ-ZFWWWQNUSA-N 0 3 371.445 0.607 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c(C)n[nH]c2C)[n-]1 ZINC001130245264 1201565520 /nfs/dbraw/zinc/56/55/20/1201565520.db2.gz YKUPMCVXNHDUIT-KBPBESRZSA-N 0 3 371.445 0.560 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccc(OC)n2)[n-]1 ZINC001130247097 1201567130 /nfs/dbraw/zinc/56/71/30/1201567130.db2.gz UUAMVPSEZDCWBL-JSGCOSHPSA-N 0 3 370.413 0.234 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cncnc2CC)[n-]1 ZINC001130249180 1201569501 /nfs/dbraw/zinc/56/95/01/1201569501.db2.gz NSVJWNSBXUYNLD-WFASDCNBSA-N 0 3 369.429 0.182 20 30 FCEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(CC#CC)CC1 ZINC001130288243 1201577531 /nfs/dbraw/zinc/57/75/31/1201577531.db2.gz KBYHQAOCGZEIJX-UXPWSPDFSA-N 0 3 361.486 0.812 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(CC#CC)CC1 ZINC001130288242 1201577722 /nfs/dbraw/zinc/57/77/22/1201577722.db2.gz KBYHQAOCGZEIJX-LSTHTHJFSA-N 0 3 361.486 0.812 20 30 FCEDHN C=CC[C@H](NC(=O)C(=O)N(C)CCCN1CCN(C)CC1)c1ccncc1 ZINC000805808080 1201587905 /nfs/dbraw/zinc/58/79/05/1201587905.db2.gz BUMZCFYYQPYOCG-SFHVURJKSA-N 0 3 373.501 0.911 20 30 FCEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)[C@@H](O)C1 ZINC001219951437 1224697509 /nfs/dbraw/zinc/69/75/09/1224697509.db2.gz KFVAJYRTJXLTHH-DFBGVHRSSA-N 0 3 360.414 0.542 20 30 FCEDHN C#CCOCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCc2cncn2C)C1 ZINC001130587093 1202723627 /nfs/dbraw/zinc/72/36/27/1202723627.db2.gz FVVQYUDKJNMNSY-FUHWJXTLSA-N 0 3 370.457 0.278 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCc2ccnn2C)C1 ZINC001130593349 1202727231 /nfs/dbraw/zinc/72/72/31/1202727231.db2.gz XOTAILFTIKEZSC-QILLFSRXSA-N 0 3 370.457 0.276 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)COCc2nccn2C)C[C@H]1c1cn(C)cn1 ZINC001130614703 1202731497 /nfs/dbraw/zinc/73/14/97/1202731497.db2.gz BXZPVZTVBVKVRM-GOEBONIOSA-N 0 3 358.446 0.440 20 30 FCEDHN COCC#CCN[C@@H]1CN(C(=O)Cn2cncc2C)C[C@H]1c1cn(C)cn1 ZINC001130626294 1202735483 /nfs/dbraw/zinc/73/54/83/1202735483.db2.gz HLPUKMMBXSYVQO-FUHWJXTLSA-N 0 3 370.457 0.159 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCc3nccn3C2)C[C@H]1c1cn(C)cn1 ZINC001130619481 1202737826 /nfs/dbraw/zinc/73/78/26/1202737826.db2.gz TVOAMMILSIONTF-SOLBZPMBSA-N 0 3 366.469 0.787 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)CCCCc2c[nH]nn2)C[C@H]1c1cn(C)cn1 ZINC001130635361 1202740274 /nfs/dbraw/zinc/74/02/74/1202740274.db2.gz WSFNLHMAYHRWMU-FUHWJXTLSA-N 0 3 369.473 0.859 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccnc(F)c3)n[n-]2)O1 ZINC001130762173 1202779141 /nfs/dbraw/zinc/77/91/41/1202779141.db2.gz 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CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1OC ZINC001043000252 1217548933 /nfs/dbraw/zinc/54/89/33/1217548933.db2.gz SAGDEGSUMIUYBC-QLFBSQMISA-N 0 3 358.446 0.542 20 30 FCEDHN CN1CCN(CCCN2C[C@]3(CC2=O)COCCN(CCC#N)C3)CC1 ZINC001276947788 1225758197 /nfs/dbraw/zinc/75/81/97/1225758197.db2.gz CIIVVDRYZVWVCN-LJQANCHMSA-N 0 3 363.506 0.088 20 30 FCEDHN C#CCN1CCC(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]3CCC)C2)CC1 ZINC001043426880 1217655608 /nfs/dbraw/zinc/65/56/08/1217655608.db2.gz OJTONIZEAOJXLL-IAGOWNOFSA-N 0 3 361.486 0.457 20 30 FCEDHN CC[C@H](C(=O)N1CCO[C@@H]2CN(c3nc(C)cc(C#N)n3)C[C@@H]21)N(C)C ZINC001043737496 1217724885 /nfs/dbraw/zinc/72/48/85/1217724885.db2.gz QKFUHJPIQYRJSQ-OWCLPIDISA-N 0 3 358.446 0.413 20 30 FCEDHN C[C@@H]1CCCN1CC(=O)N1CCO[C@@H]2CN(c3ccncc3C#N)C[C@@H]21 ZINC001043790167 1217743788 /nfs/dbraw/zinc/74/37/88/1217743788.db2.gz CSLGCWYTAUEAAG-FHLIZLRMSA-N 0 3 355.442 0.854 20 30 FCEDHN C[C@H]1CCN(CC(=O)N2CCO[C@@H]3CN(c4ccc(C#N)nn4)C[C@@H]32)C1 ZINC001043791526 1217745071 /nfs/dbraw/zinc/74/50/71/1217745071.db2.gz RRWBBSRVCTXZJM-CWRNSKLLSA-N 0 3 356.430 0.106 20 30 FCEDHN CN1CCN(CCCN2CC3(CN(CCCCC#N)C3)OCC2=O)CC1 ZINC001276955230 1225767545 /nfs/dbraw/zinc/76/75/45/1225767545.db2.gz HRDAQDLZVXRNSB-UHFFFAOYSA-N 0 3 363.506 0.231 20 30 FCEDHN C=CCN1CC[C@@H](N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2=NC(=O)N(C)C2)C3)C1=O ZINC001095970177 1217807334 /nfs/dbraw/zinc/80/73/34/1217807334.db2.gz HCWFTGCOEODJIL-PAPYEOQZSA-N 0 3 359.430 0.248 20 30 FCEDHN Cc1cc(N2C[C@@H](NC(=O)C(C)(C)N3CCCC3)[C@@H](O)C2)c(C#N)cn1 ZINC001044382826 1217842328 /nfs/dbraw/zinc/84/23/28/1217842328.db2.gz WIHJSTVUXWOPNB-WBVHZDCISA-N 0 3 357.458 0.802 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C(=O)C(C)(C)C ZINC001225456648 1225812332 /nfs/dbraw/zinc/81/23/32/1225812332.db2.gz FXTSRRAZEDAARS-CHWSQXEVSA-N 0 3 366.462 0.630 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ocnc1C ZINC001225542839 1225815033 /nfs/dbraw/zinc/81/50/33/1225815033.db2.gz NWIXYRIBYOMMSE-CHWSQXEVSA-N 0 3 363.418 0.625 20 30 FCEDHN C#CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(C2CC2)n1 ZINC001225778862 1225822859 /nfs/dbraw/zinc/82/28/59/1225822859.db2.gz DHHGMOCRQFCXSC-ZIAGYGMSSA-N 0 3 358.446 0.339 20 30 FCEDHN C#CCN1CCC(C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)CC1 ZINC000803705964 1218491922 /nfs/dbraw/zinc/49/19/22/1218491922.db2.gz WLWFGXCUOSYPDW-UHFFFAOYSA-N 0 3 356.426 0.528 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2cn(CC)nn2)CC1 ZINC001096605293 1218574203 /nfs/dbraw/zinc/57/42/03/1218574203.db2.gz HYQKJSGDYUGQCX-QYZOEREBSA-N 0 3 370.501 0.865 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn(C2CCC2)nn1 ZINC001226304081 1225839635 /nfs/dbraw/zinc/83/96/35/1225839635.db2.gz LHUXJQKIKABGQV-HUUCEWRRSA-N 0 3 358.446 0.383 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCc1cnn(C)c1C ZINC001226504642 1225845403 /nfs/dbraw/zinc/84/54/03/1225845403.db2.gz GZGIKVCDSXVQSS-IAGOWNOFSA-N 0 3 359.474 0.428 20 30 FCEDHN Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)c(C2CC2)n1 ZINC001226490425 1225845500 /nfs/dbraw/zinc/84/55/00/1225845500.db2.gz FRUUBHOHUXJXHI-HUUCEWRRSA-N 0 3 358.446 0.568 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc2n[nH]nc2n1 ZINC001226642732 1225849815 /nfs/dbraw/zinc/84/98/15/1225849815.db2.gz MRRCZYKDDUVLMJ-VXGBXAGGSA-N 0 3 357.418 0.286 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)N[C@H](C)CC)CC1 ZINC001111455316 1218847173 /nfs/dbraw/zinc/84/71/73/1218847173.db2.gz XMANRXDXKKWNMO-OWYHZJEWSA-N 0 3 374.529 0.968 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2ncncc2C1 ZINC001226714668 1225852720 /nfs/dbraw/zinc/85/27/20/1225852720.db2.gz XMCGHOYCMSRAAA-KBRIMQKVSA-N 0 3 370.457 0.238 20 30 FCEDHN CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCCNc2ncccc2C#N)C1 ZINC000826977663 1218915065 /nfs/dbraw/zinc/91/50/65/1218915065.db2.gz KUFVWIYFGJTWLG-CQSZACIVSA-N 0 3 358.446 0.470 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnc2cc[nH]c2c1 ZINC001226983359 1225859813 /nfs/dbraw/zinc/85/98/13/1225859813.db2.gz DIFLXHYKLGDVCL-GDBMZVCRSA-N 0 3 353.426 0.943 20 30 FCEDHN Cc1cc(COCC(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)on1 ZINC001227019553 1225861395 /nfs/dbraw/zinc/86/13/95/1225861395.db2.gz RUZGBDKOWSBQAG-HUUCEWRRSA-N 0 3 363.418 0.156 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001227039302 1225861676 /nfs/dbraw/zinc/86/16/76/1225861676.db2.gz UVGYPDGAPDKXHP-BZUAXINKSA-N 0 3 371.485 0.845 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(C(F)F)ncn1 ZINC001227048486 1225861986 /nfs/dbraw/zinc/86/19/86/1225861986.db2.gz ZQKXLLRTGBZRCY-VXGBXAGGSA-N 0 3 365.384 0.794 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001227039300 1225862030 /nfs/dbraw/zinc/86/20/30/1225862030.db2.gz UVGYPDGAPDKXHP-ARFHVFGLSA-N 0 3 371.485 0.845 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCOC[C@H]1CCCO1 ZINC001227249452 1225868150 /nfs/dbraw/zinc/86/81/50/1225868150.db2.gz PFKUXAIBIXWZMY-BZUAXINKSA-N 0 3 366.462 0.229 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCOC[C@@H]1CCCO1 ZINC001227249450 1225868376 /nfs/dbraw/zinc/86/83/76/1225868376.db2.gz PFKUXAIBIXWZMY-ARFHVFGLSA-N 0 3 366.462 0.229 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccnc2c1CC(=O)N2 ZINC001227282410 1225869721 /nfs/dbraw/zinc/86/97/21/1225869721.db2.gz ZHKSXBOWMKFLIR-HUUCEWRRSA-N 0 3 371.441 0.509 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(C(C)=O)C1 ZINC001227356302 1225871605 /nfs/dbraw/zinc/87/16/05/1225871605.db2.gz RWQDYQUXARSFJU-GVDBMIGSSA-N 0 3 362.474 0.011 20 30 FCEDHN CN(C)Cc1ccccc1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 ZINC001070102615 1219177909 /nfs/dbraw/zinc/17/79/09/1219177909.db2.gz STALAABZQCSRMZ-SJORKVTESA-N 0 3 353.430 0.519 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)Cc2ccc(C(N)=O)cc2)[C@@H](n2ccnn2)C1 ZINC001070105685 1219180426 /nfs/dbraw/zinc/18/04/26/1219180426.db2.gz ATNAMPDMARKVCO-SJORKVTESA-N 0 3 368.441 0.537 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc2nnnn2c1 ZINC001227467595 1225875983 /nfs/dbraw/zinc/87/59/83/1225875983.db2.gz ITNJCVPEURKMQO-ZIAGYGMSSA-N 0 3 357.418 0.057 20 30 FCEDHN N#Cc1c[nH]c(C(=O)N2C[C@@H](NCCn3cccn3)[C@@H](n3ccnn3)C2)c1 ZINC001070168710 1219260755 /nfs/dbraw/zinc/26/07/55/1219260755.db2.gz RZQDHHRIQPYNOA-CVEARBPZSA-N 0 3 365.401 0.030 20 30 FCEDHN Cc1nc2c(nccc2C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)[nH]1 ZINC001227636553 1225880080 /nfs/dbraw/zinc/88/00/80/1225880080.db2.gz AXOOQLAKHKLGMC-ZIAGYGMSSA-N 0 3 369.429 0.537 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)CN(C)CCC)CCOCC1 ZINC001070183540 1219276662 /nfs/dbraw/zinc/27/66/62/1219276662.db2.gz LQOQULGPCBNSQP-CVEARBPZSA-N 0 3 367.490 0.701 20 30 FCEDHN Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)c2nccn2c1 ZINC001227680264 1225881455 /nfs/dbraw/zinc/88/14/55/1225881455.db2.gz GTWRSNJEHDXRGF-HZPDHXFCSA-N 0 3 368.441 0.913 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccnc(N3CCCC3)n2)C[C@@H]1n1ccnn1 ZINC001070220499 1219302899 /nfs/dbraw/zinc/30/28/99/1219302899.db2.gz IOJRRNGDXBFSNF-CVEARBPZSA-N 0 3 368.445 0.510 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2c(C)[nH]cc2NC(C)=O)C[C@@H]1n1ccnn1 ZINC001070223013 1219303952 /nfs/dbraw/zinc/30/39/52/1219303952.db2.gz ZMOZYGRGAUBEFK-CABCVRRESA-N 0 3 357.418 0.714 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc2c(c1)CCO2 ZINC001227823143 1225887318 /nfs/dbraw/zinc/88/73/18/1225887318.db2.gz YZZOIFUXJHFSEQ-QZTJIDSGSA-N 0 3 369.465 0.930 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@@H]1n1ccnn1 ZINC001070285722 1219349901 /nfs/dbraw/zinc/34/99/01/1219349901.db2.gz HELVLQVBWFNHMK-CABCVRRESA-N 0 3 353.386 0.701 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cnn3cc(OC)ccc23)C[C@@H]1n1ccnn1 ZINC001070295040 1219355424 /nfs/dbraw/zinc/35/54/24/1219355424.db2.gz IFJTZSHEOYJPFG-WBVHZDCISA-N 0 3 367.413 0.776 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1c(C)nn(C)c1C ZINC001227804470 1225886248 /nfs/dbraw/zinc/88/62/48/1225886248.db2.gz NKKVURFSVNTRGE-IAGOWNOFSA-N 0 3 361.490 0.899 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)COc2ccc(OC)cc2)C[C@@H]1n1ccnn1 ZINC001070325525 1219375710 /nfs/dbraw/zinc/37/57/10/1219375710.db2.gz JGDROGUPNWWBDT-SJORKVTESA-N 0 3 357.414 0.893 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2Cc3cccc(F)c3O2)C[C@@H]1n1ccnn1 ZINC001070332603 1219382522 /nfs/dbraw/zinc/38/25/22/1219382522.db2.gz MXGXIQKMFNUJBI-OWCLPIDISA-N 0 3 357.389 0.948 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C)n2cccn2)CC1 ZINC001070365053 1219397352 /nfs/dbraw/zinc/39/73/52/1219397352.db2.gz FIDNCNGUSNYHTP-WDYCEAGBSA-N 0 3 371.485 0.943 20 30 FCEDHN C#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NC(=O)NC)cc1 ZINC001227886964 1225889760 /nfs/dbraw/zinc/88/97/60/1225889760.db2.gz KTOGTQAJZAFTQD-HZPDHXFCSA-N 0 3 356.426 0.754 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cc2ccn(C)n2)CC1 ZINC001070372116 1219402388 /nfs/dbraw/zinc/40/23/88/1219402388.db2.gz YBVIODRCJFQLOT-XLIONFOSSA-N 0 3 371.485 0.461 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001070377117 1219404313 /nfs/dbraw/zinc/40/43/13/1219404313.db2.gz FZSMMQZVZIYPLE-LHHMMCJZSA-N 0 3 359.470 0.378 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@]2(F)CCOC2)CC1 ZINC001070377387 1219404801 /nfs/dbraw/zinc/40/48/01/1219404801.db2.gz UZNAALFSVAIXJK-HHXXYDBFSA-N 0 3 365.449 0.614 20 30 FCEDHN C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cc2[nH]cnc2C)CC1 ZINC001070382599 1219407772 /nfs/dbraw/zinc/40/77/72/1219407772.db2.gz HLIQUJRTMADZMC-BEFAXECRSA-N 0 3 357.458 0.369 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2nc3ncc(C)cn3n2)C[C@H]1c1cn(C)cn1 ZINC001070504368 1219443038 /nfs/dbraw/zinc/44/30/38/1219443038.db2.gz RFPUPIFOHHEUGE-DZGCQCFKSA-N 0 3 366.429 0.550 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2CCc3nc(C)nn3C2)C[C@H]1c1cn(C)cn1 ZINC001070516735 1219449656 /nfs/dbraw/zinc/44/96/56/1219449656.db2.gz LLIBVLZZHUCTTF-HLLBOEOZSA-N 0 3 369.473 0.653 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]cnc3C2)C[C@H]1c1cn(C)cn1 ZINC001070553101 1219467144 /nfs/dbraw/zinc/46/71/44/1219467144.db2.gz ZSKXQAZIZJNQJO-QWQRMKEZSA-N 0 3 352.442 0.466 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCc3nc[nH]c3C2)C[C@H]1c1cn(C)cn1 ZINC001070553101 1219467145 /nfs/dbraw/zinc/46/71/45/1219467145.db2.gz ZSKXQAZIZJNQJO-QWQRMKEZSA-N 0 3 352.442 0.466 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H](C)N2CCCCC2=O)C[C@H]1c1cn(C)cn1 ZINC001070566379 1219472960 /nfs/dbraw/zinc/47/29/60/1219472960.db2.gz MZQGTJZOLGXYMS-YQQAZPJKSA-N 0 3 359.474 0.891 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cccc(C(N)=O)n2)C[C@H]1c1cn(C)cn1 ZINC001070568846 1219473329 /nfs/dbraw/zinc/47/33/29/1219473329.db2.gz FLKYVCXFDWPCFL-BLLLJJGKSA-N 0 3 354.414 0.298 20 30 FCEDHN C=CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CCO[C@H]2C(=C)C)n1 ZINC001070589603 1219479941 /nfs/dbraw/zinc/47/99/41/1219479941.db2.gz GWANOSQZZQHCIL-LZWOXQAQSA-N 0 3 361.446 0.961 20 30 FCEDHN C=CCN1CCOC[C@@H]1c1nc(CNC(=O)[C@H]2CCO[C@H]2C(=C)C)n[nH]1 ZINC001070589603 1219479946 /nfs/dbraw/zinc/47/99/46/1219479946.db2.gz 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N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2ccoc2)n[nH]1 ZINC001230150194 1226058910 /nfs/dbraw/zinc/05/89/10/1226058910.db2.gz XUYDOHQUDQISSI-ZIAGYGMSSA-N 0 3 370.413 0.940 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001230215197 1226065368 /nfs/dbraw/zinc/06/53/68/1226065368.db2.gz IUIOAEWFHMHPQU-BPLDGKMQSA-N 0 3 358.446 0.171 20 30 FCEDHN CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N)N1CCCC1=O ZINC001230192956 1226061763 /nfs/dbraw/zinc/06/17/63/1226061763.db2.gz PXNPATMOHIQGPH-RBSFLKMASA-N 0 3 363.462 0.044 20 30 FCEDHN C=CCO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC1CCOCC1 ZINC001230327821 1226074825 /nfs/dbraw/zinc/07/48/25/1226074825.db2.gz JOMOREJMUUEMPW-DJIMGWMZSA-N 0 3 367.490 0.890 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)OCC=C ZINC001230331468 1226074839 /nfs/dbraw/zinc/07/48/39/1226074839.db2.gz PNJIRPHOOYXIHP-RRFJBIMHSA-N 0 3 366.462 0.606 20 30 FCEDHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC001119184400 1221883425 /nfs/dbraw/zinc/88/34/25/1221883425.db2.gz UCEDSOJXLOHHBT-MRXNPFEDSA-N 0 3 370.457 0.202 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)NC(=O)C1CCC1 ZINC001230378193 1226079056 /nfs/dbraw/zinc/07/90/56/1226079056.db2.gz DUHRJFMXANMPHB-FVQBIDKESA-N 0 3 364.490 0.610 20 30 FCEDHN CN(C)c1ccc([C@H](CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)N(C)C)cc1 ZINC001119888086 1221994602 /nfs/dbraw/zinc/99/46/02/1221994602.db2.gz MOXIXEAYPCCQOZ-IRXDYDNUSA-N 0 3 373.457 0.222 20 30 FCEDHN CN(C)c1ccc([C@@H](CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)N(C)C)cc1 ZINC001119888084 1221994750 /nfs/dbraw/zinc/99/47/50/1221994750.db2.gz MOXIXEAYPCCQOZ-DLBZAZTESA-N 0 3 373.457 0.222 20 30 FCEDHN C#CCN(CC#CC)C(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001120416501 1222081407 /nfs/dbraw/zinc/08/14/07/1222081407.db2.gz CHMDYWFKIUZWQW-LJQANCHMSA-N 0 3 368.481 0.957 20 30 FCEDHN C#Cc1ccc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(CC)CC2)cc1 ZINC001120809529 1222122608 /nfs/dbraw/zinc/12/26/08/1222122608.db2.gz 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ZINC001231819632 1226130537 /nfs/dbraw/zinc/13/05/37/1226130537.db2.gz QJFDPSNDBMUFJE-HXUWFJFHSA-N 0 3 369.469 0.959 20 30 FCEDHN N#C[C@H]1CNC[C@H]1NC(=O)c1cccc(NC(=O)CCn2ccnc2)c1 ZINC000834493261 1222576247 /nfs/dbraw/zinc/57/62/47/1222576247.db2.gz CHJWTLLQAIYGSX-GOEBONIOSA-N 0 3 352.398 0.753 20 30 FCEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000836295823 1222621705 /nfs/dbraw/zinc/62/17/05/1222621705.db2.gz LHMGMPZDKIEPGY-OAHLLOKOSA-N 0 3 357.458 0.619 20 30 FCEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000836321758 1222622229 /nfs/dbraw/zinc/62/22/29/1222622229.db2.gz JUCNWDGBNULMQC-QGZVFWFLSA-N 0 3 372.469 0.921 20 30 FCEDHN C#CCN(C)CCCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000838551946 1222683635 /nfs/dbraw/zinc/68/36/35/1222683635.db2.gz LKBXUVHSNPTQQB-CABCVRRESA-N 0 3 363.462 1.000 20 30 FCEDHN C#CCN(C)CCCNC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000838623994 1222688567 /nfs/dbraw/zinc/68/85/67/1222688567.db2.gz BCADSAAYKSDZRQ-UHFFFAOYSA-N 0 3 363.506 0.281 20 30 FCEDHN COC(=O)[C@H]1CN(C)CCN(Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000839630791 1222750968 /nfs/dbraw/zinc/75/09/68/1222750968.db2.gz OFJFTUDAPHDUBI-AWEZNQCLSA-N 0 3 369.425 0.457 20 30 FCEDHN C=CCOCCN1CCCO[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001150005745 1222893521 /nfs/dbraw/zinc/89/35/21/1222893521.db2.gz LRURIJZTWIVXEH-XLAORIBOSA-N 0 3 368.474 0.448 20 30 FCEDHN CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)c2cc(=O)c3cc(C#N)ccc3[n-]2)O1 ZINC001154559841 1223011873 /nfs/dbraw/zinc/01/18/73/1223011873.db2.gz UJXXLFBGVHEKDV-ZHALLVOQSA-N 0 3 370.409 0.854 20 30 FCEDHN COCC#CCNCCN(CCc1ccccc1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001162935428 1223222045 /nfs/dbraw/zinc/22/20/45/1223222045.db2.gz WJOFPUUKAHJOSK-MSOLQXFVSA-N 0 3 357.454 0.419 20 30 FCEDHN C=CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)CCc2nc[nH]n2)C1 ZINC001205115023 1223309774 /nfs/dbraw/zinc/30/97/74/1223309774.db2.gz BAFRLRYIMJGZRC-IAGOWNOFSA-N 0 3 355.442 0.997 20 30 FCEDHN 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ZINC001215078335 1223971504 /nfs/dbraw/zinc/97/15/04/1223971504.db2.gz YRAZJJLOGOCCKR-NVXWUHKLSA-N 0 3 369.469 0.481 20 30 FCEDHN C[C@@H]1CN(C(=O)c2cc(-c3ccccc3)n[nH]2)C[C@H]1NCC(=O)NCC#N ZINC001215097471 1223973006 /nfs/dbraw/zinc/97/30/06/1223973006.db2.gz RIILZQBWQOJRLE-CXAGYDPISA-N 0 3 366.425 0.767 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccn(-c3ccncc3)n2)C[C@H]1C ZINC001215122247 1223975785 /nfs/dbraw/zinc/97/57/85/1223975785.db2.gz NWUNAODCGIWWFO-RHSMWYFYSA-N 0 3 366.425 0.067 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2c(OC)ccnc2OC)C[C@H]1C ZINC001215130715 1223976374 /nfs/dbraw/zinc/97/63/74/1223976374.db2.gz JGESNOSPYPESLU-CHWSQXEVSA-N 0 3 362.430 0.451 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cc2ccc3n[nH]cc3c2)C[C@H]1C ZINC001215132525 1223976540 /nfs/dbraw/zinc/97/65/40/1223976540.db2.gz JLHYMPOPJSIWTD-QWQRMKEZSA-N 0 3 367.453 0.680 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCc3cc(C)ccc3O2)C[C@H]1C ZINC001215140409 1223977470 /nfs/dbraw/zinc/97/74/70/1223977470.db2.gz QMQQMRCGCHUMJK-SZVBFZGTSA-N 0 3 369.465 0.875 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)Cn2cncc2C)C[C@H]1C ZINC001215155720 1223978595 /nfs/dbraw/zinc/97/85/95/1223978595.db2.gz GVXRVNVUFDJCKU-GDBMZVCRSA-N 0 3 360.462 0.390 20 30 FCEDHN C[C@@H]1CN(C(=O)c2cn(C)nc2-c2ccoc2)C[C@H]1NCC(=O)NCC#N ZINC001215204125 1223982167 /nfs/dbraw/zinc/98/21/67/1223982167.db2.gz AYTLOCSTLPPUQX-IUODEOHRSA-N 0 3 370.413 0.370 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(C)cn3ccnc23)C[C@H]1C ZINC001215207480 1223982556 /nfs/dbraw/zinc/98/25/56/1223982556.db2.gz BBRWUDMECHWAAI-GDBMZVCRSA-N 0 3 353.426 0.442 20 30 FCEDHN C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCCCOC)C1 ZINC001215240065 1223984927 /nfs/dbraw/zinc/98/49/27/1223984927.db2.gz MVRIVJBYXOZVNN-GPMSIDNRSA-N 0 3 369.506 0.804 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cc2c(C)nn(C)c2C)C[C@H]1C ZINC001215261892 1223986190 /nfs/dbraw/zinc/98/61/90/1223986190.db2.gz QAZOQBYSWJSLPQ-HACGYAERSA-N 0 3 361.490 0.707 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cnc3cc(C)nn3c2C)C[C@H]1C ZINC001215271550 1223987176 /nfs/dbraw/zinc/98/71/76/1223987176.db2.gz UAOCWMRGJJEDHS-MLGOLLRUSA-N 0 3 370.457 0.698 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cccnc2-n2cccn2)C[C@H]1C ZINC001215283878 1223988651 /nfs/dbraw/zinc/98/86/51/1223988651.db2.gz JZQPRVPOPFMQBD-GDBMZVCRSA-N 0 3 366.425 0.067 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)CCCn2ccccc2=O)C[C@H]1C ZINC001215314741 1223992187 /nfs/dbraw/zinc/99/21/87/1223992187.db2.gz VRGBZBSZUCXJEO-HZPDHXFCSA-N 0 3 360.458 0.367 20 30 FCEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC001215335847 1223993245 /nfs/dbraw/zinc/99/32/45/1223993245.db2.gz KSJVJLDKBPFOCM-MGPQQGTHSA-N 0 3 363.466 0.073 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnc3n2CCCC3)C[C@H]1C ZINC001215387831 1223995947 /nfs/dbraw/zinc/99/59/47/1223995947.db2.gz VGDVELQRQMSACB-QLFBSQMISA-N 0 3 357.458 0.407 20 30 FCEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1C ZINC001215412014 1223997993 /nfs/dbraw/zinc/99/79/93/1223997993.db2.gz AJHCPULEJQSVCH-UKRRQHHQSA-N 0 3 359.430 0.021 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(C(C)(C)C)nn2C)C[C@H]1C ZINC001215456370 1224000725 /nfs/dbraw/zinc/00/07/25/1224000725.db2.gz SMNLDDBRRBOVFB-ZIAGYGMSSA-N 0 3 359.474 0.517 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)OCc2ccncc2)C[C@H]1C ZINC001215599296 1224008712 /nfs/dbraw/zinc/00/87/12/1224008712.db2.gz YYSMWRSVVLAQTD-BFYDXBDKSA-N 0 3 360.458 0.725 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)CCCn2nc(C)cc2C)C[C@H]1C ZINC001215722307 1224013929 /nfs/dbraw/zinc/01/39/29/1224013929.db2.gz BXELVMBYGYSCOM-RHSMWYFYSA-N 0 3 359.474 0.466 20 30 FCEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)[C@H](C)OCCOC)C[C@H]1C ZINC001215750050 1224015192 /nfs/dbraw/zinc/01/51/92/1224015192.db2.gz BSEPRSKRADAOPV-IXDOHACOSA-N 0 3 367.490 0.675 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)CCn2ccnc2C(C)C)C[C@H]1C ZINC001215767642 1224016932 /nfs/dbraw/zinc/01/69/32/1224016932.db2.gz VAHNQMKTQSSBDJ-HZPDHXFCSA-N 0 3 359.474 0.583 20 30 FCEDHN C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC(C)C)C1 ZINC001215802930 1224018717 /nfs/dbraw/zinc/01/87/17/1224018717.db2.gz NJXPVJAMEGKQSO-DJIMGWMZSA-N 0 3 366.506 0.666 20 30 FCEDHN C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N[C@H](C)C3CC3)C2)nn1 ZINC001215833010 1224020123 /nfs/dbraw/zinc/02/01/23/1224020123.db2.gz UQXHARRZIYBZES-UMVBOHGHSA-N 0 3 360.462 0.429 20 30 FCEDHN C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N[C@H](C)C(C)C)C2)nn1 ZINC001215833214 1224020129 /nfs/dbraw/zinc/02/01/29/1224020129.db2.gz YNFDNALMHPWCLB-RBSFLKMASA-N 0 3 362.478 0.675 20 30 FCEDHN COc1ccc([C@@H]2C[C@H]2C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)cc1 ZINC001215847854 1224020651 /nfs/dbraw/zinc/02/06/51/1224020651.db2.gz MMPUDSOFSKIRRX-BVPBIZIASA-N 0 3 370.453 0.875 20 30 FCEDHN COc1ccccc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1 ZINC001215848050 1224021019 /nfs/dbraw/zinc/02/10/19/1224021019.db2.gz RMXUDYMPROYSCG-XLNGHYISSA-N 0 3 370.453 0.875 20 30 FCEDHN C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NCC=C)C2)nn1 ZINC001215861718 1224021384 /nfs/dbraw/zinc/02/13/84/1224021384.db2.gz LYCPEECTBCZKED-QLFBSQMISA-N 0 3 360.462 0.595 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)Cc2ccccc2COC)C[C@H]1C ZINC001215873106 1224021602 /nfs/dbraw/zinc/02/16/02/1224021602.db2.gz IYNGUMAKSWAUHL-CRAIPNDOSA-N 0 3 357.454 0.561 20 30 FCEDHN C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)C(C)(C)CNC(C)=O)C[C@H]2C)C1=O ZINC001215892138 1224022891 /nfs/dbraw/zinc/02/28/91/1224022891.db2.gz RLJGUSZTLILQCD-FVQBIDKESA-N 0 3 364.490 0.372 20 30 FCEDHN COc1ccc(F)cc1CC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1 ZINC001216017158 1224030329 /nfs/dbraw/zinc/03/03/29/1224030329.db2.gz XBXIQEVRSCOPGZ-IUODEOHRSA-N 0 3 362.405 0.453 20 30 FCEDHN C[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCC3)C[C@H]1NCC(=O)NCC#N ZINC001216024906 1224030417 /nfs/dbraw/zinc/03/04/17/1224030417.db2.gz BYFOZUWYFFHVNA-MLGOLLRUSA-N 0 3 371.441 0.356 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cn(CCC)nc2C)C[C@H]1C ZINC001216053262 1224031281 /nfs/dbraw/zinc/03/12/81/1224031281.db2.gz HYIWXCXTBGZBFB-FRFSOERESA-N 0 3 359.474 0.790 20 30 FCEDHN C[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1)n1cnc2ccccc21 ZINC001216185623 1224037875 /nfs/dbraw/zinc/03/78/75/1224037875.db2.gz YYXIOZYTEASYAY-IIAWOOMASA-N 0 3 368.441 0.674 20 30 FCEDHN C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccn2)C[C@H]1NCC(=O)NCC#N ZINC001216189476 1224038242 /nfs/dbraw/zinc/03/82/42/1224038242.db2.gz CYILGXOXHALUKP-ZWNOBZJWSA-N 0 3 369.347 0.790 20 30 FCEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)COCCCOC)C[C@H]1C ZINC001216283738 1224041670 /nfs/dbraw/zinc/04/16/70/1224041670.db2.gz AMKYETBJLXLYKM-IAGOWNOFSA-N 0 3 369.506 0.901 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ncoc2-c2ccon2)C[C@H]1C ZINC001216410203 1224049179 /nfs/dbraw/zinc/04/91/79/1224049179.db2.gz UAUOWAIDHRPKFP-DGCLKSJQSA-N 0 3 357.370 0.129 20 30 FCEDHN CO[C@](C)(C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1)c1ccccc1 ZINC001216424448 1224049633 /nfs/dbraw/zinc/04/96/33/1224049633.db2.gz ADRVRIBQDIDDIZ-OGWOLHLISA-N 0 3 358.442 0.624 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(-c3ncon3)cc2)C[C@H]1C ZINC001216428923 1224050032 /nfs/dbraw/zinc/05/00/32/1224050032.db2.gz OLQZGESNCYTGGL-CZUORRHYSA-N 0 3 367.409 0.536 20 30 FCEDHN C[C@@H]1CN(C(=O)c2ccc(-c3ncon3)cc2)C[C@H]1NCC(=O)NCC#N ZINC001216429238 1224050399 /nfs/dbraw/zinc/05/03/99/1224050399.db2.gz RZZOFGJIZSRWAO-IUODEOHRSA-N 0 3 368.397 0.426 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2nn(C)c3ccccc32)C[C@H]1C ZINC001216468289 1224052733 /nfs/dbraw/zinc/05/27/33/1224052733.db2.gz CACSRQPLEZBXGE-IJEWVQPXSA-N 0 3 367.453 0.761 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ncccc2OC(C)C)C[C@H]1C ZINC001216614614 1224058971 /nfs/dbraw/zinc/05/89/71/1224058971.db2.gz YIMYFVHATSWVNA-HUUCEWRRSA-N 0 3 358.442 0.668 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2[nH]cnc2CC)C[C@H]1C ZINC001216618588 1224059010 /nfs/dbraw/zinc/05/90/10/1224059010.db2.gz TXLQASNDQJBXBA-DGCLKSJQSA-N 0 3 362.434 0.034 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cccnc2OCC)C[C@H]1C ZINC001216636490 1224060035 /nfs/dbraw/zinc/06/00/35/1224060035.db2.gz GMBLRNFTXNVZHD-IJEWVQPXSA-N 0 3 358.442 0.668 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2ccccc2OC)C[C@H]1C ZINC001216702076 1224061937 /nfs/dbraw/zinc/06/19/37/1224061937.db2.gz ITHLEADEYRKPPG-BFYDXBDKSA-N 0 3 357.454 0.812 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(C)cc2)C[C@H]1C ZINC001216704163 1224062633 /nfs/dbraw/zinc/06/26/33/1224062633.db2.gz GBUZFOHCISZRDS-SOLBZPMBSA-N 0 3 357.454 0.948 20 30 FCEDHN C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@H]1NCC#Cc1ccccc1 ZINC001216714104 1224063789 /nfs/dbraw/zinc/06/37/89/1224063789.db2.gz USACKUDKAUKJAT-HYVNUMGLSA-N 0 3 368.437 0.463 20 30 FCEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C ZINC001216716604 1224064126 /nfs/dbraw/zinc/06/41/26/1224064126.db2.gz DIJYXEOPGBUGPO-QLFBSQMISA-N 0 3 367.494 0.294 20 30 FCEDHN C[C@@H]1CN(C(=O)CCc2nc3ccccc3o2)C[C@H]1NCC(=O)NCC#N ZINC001216735249 1224066158 /nfs/dbraw/zinc/06/61/58/1224066158.db2.gz PFZBLVFOYJKAQO-UKRRQHHQSA-N 0 3 369.425 0.837 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2n[nH]c3c2CCCCC3)C[C@H]1C ZINC001216757767 1224069359 /nfs/dbraw/zinc/06/93/59/1224069359.db2.gz LHSUHGAPBZYGPM-CKEIUWERSA-N 0 3 371.485 0.867 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc3c(c2)nc[nH]c3=O)C[C@H]1C ZINC001216761333 1224069977 /nfs/dbraw/zinc/06/99/77/1224069977.db2.gz YMKPYYICVNQEFH-MLGOLLRUSA-N 0 3 369.425 0.688 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2c(C)nn3cccnc23)C[C@H]1C ZINC001216768113 1224070328 /nfs/dbraw/zinc/07/03/28/1224070328.db2.gz IRHOPLBOUIPLST-TZMCWYRMSA-N 0 3 356.430 0.390 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)oc3c2)C[C@H]1C ZINC001216850972 1224079294 /nfs/dbraw/zinc/07/92/94/1224079294.db2.gz UYWLJWMZHUBFEG-BXUZGUMPSA-N 0 3 358.398 0.886 20 30 FCEDHN C[C@@H]1CN(C(=O)CN(C)Cc2ccccc2)C[C@H]1NCC(=O)NCC#N ZINC001216979896 1224083573 /nfs/dbraw/zinc/08/35/73/1224083573.db2.gz DCQDTMOFCKKGNB-NVXWUHKLSA-N 0 3 357.458 0.195 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(N(C)CC)cc2)C[C@H]1C ZINC001217000799 1224084130 /nfs/dbraw/zinc/08/41/30/1224084130.db2.gz OWXAGQKZDHYFHL-CRAIPNDOSA-N 0 3 356.470 0.942 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CCCOC(C)C)C[C@H]1C ZINC001217006243 1224084133 /nfs/dbraw/zinc/08/41/33/1224084133.db2.gz XZJRUQFIZBCGLN-HUUCEWRRSA-N 0 3 368.478 0.640 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ccnc(-n3cncn3)c2)C[C@H]1C ZINC001217011148 1224084538 /nfs/dbraw/zinc/08/45/38/1224084538.db2.gz ZUJQBPBOXKAMND-UKRRQHHQSA-N 0 3 369.429 0.015 20 30 FCEDHN COc1ccccc1C1(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)CC1 ZINC001217026533 1224085512 /nfs/dbraw/zinc/08/55/12/1224085512.db2.gz LPJPETLUCHWJAX-GDBMZVCRSA-N 0 3 370.453 0.803 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnc(C(C)(C)C)nc2)C[C@H]1C ZINC001217066389 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0 3 366.441 0.802 20 30 FCEDHN N#Cc1cnn2c1[nH]c(CN1CC[C@@](C(N)=O)(c3ccccc3)C1)cc2=O ZINC001307842975 1263203069 /nfs/dbraw/zinc/20/30/69/1263203069.db2.gz LCSPCDWRDDBHLD-IBGZPJMESA-N 0 3 362.393 0.936 20 30 FCEDHN CCN1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001313951204 1263326352 /nfs/dbraw/zinc/32/63/52/1263326352.db2.gz RINOCEHTONACLA-NVXWUHKLSA-N 0 3 361.494 0.589 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC1 ZINC001318919324 1263625859 /nfs/dbraw/zinc/62/58/59/1263625859.db2.gz GHAOSJQMDDTRSN-UHFFFAOYSA-N 0 3 360.414 0.256 20 30 FCEDHN CCCN(CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)Cc1ccc(C#N)cc1 ZINC001493318891 1263716932 /nfs/dbraw/zinc/71/69/32/1263716932.db2.gz XZVBOOMOVIIYBZ-DLBZAZTESA-N 0 3 358.442 0.919 20 30 FCEDHN COc1ccc(C#N)cc1CNC[C@@H](O)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001320278359 1263781075 /nfs/dbraw/zinc/78/10/75/1263781075.db2.gz BGBOZJOCTJKVFC-KONPQCLYSA-N 0 3 359.426 0.701 20 30 FCEDHN CN1CCN(CCNC(=O)CCNC(=O)C2N=CC=CC2=O)CC1(C)C ZINC001321679756 1264034087 /nfs/dbraw/zinc/03/40/87/1264034087.db2.gz MOYRRRRLJZOQDJ-WUKNDPDISA-N 0 3 363.462 0.045 20 30 FCEDHN COCCN1CC[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 ZINC001322564569 1264219617 /nfs/dbraw/zinc/21/96/17/1264219617.db2.gz ATAWQPNSWFKKDU-CVEARBPZSA-N 0 3 356.426 0.748 20 30 FCEDHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCc2ccc(C#N)cc2)CC1 ZINC001322784595 1264264152 /nfs/dbraw/zinc/26/41/52/1264264152.db2.gz KUHYBXMRUNPJNB-MRXNPFEDSA-N 0 3 371.485 0.564 20 30 FCEDHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCc2ccc(C#N)cc2)CC1 ZINC001322784594 1264264534 /nfs/dbraw/zinc/26/45/34/1264264534.db2.gz KUHYBXMRUNPJNB-INIZCTEOSA-N 0 3 371.485 0.564 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC(NC(=O)CCC)CC2)CC1 ZINC001322802367 1264269739 /nfs/dbraw/zinc/26/97/39/1264269739.db2.gz JGRHPAJKVPLGKO-UHFFFAOYSA-N 0 3 364.490 0.660 20 30 FCEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001326487543 1265121960 /nfs/dbraw/zinc/12/19/60/1265121960.db2.gz XSYCKEXNBUCITH-DLBZAZTESA-N 0 3 368.441 0.895 20 30 FCEDHN C=C(C)Cn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1C1(O)CC1 ZINC001524144266 1266688696 /nfs/dbraw/zinc/68/86/96/1266688696.db2.gz UILFTMXXRYYQNM-OAHLLOKOSA-N 0 3 374.489 0.578 20 30 FCEDHN N#Cc1ccc(CNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC001333986427 1266764077 /nfs/dbraw/zinc/76/40/77/1266764077.db2.gz FCMJGVPBQCAGNC-KRWDZBQOSA-N 0 3 356.426 0.544 20 30 FCEDHN C=CCOCc1nnc(N2CCC(C(N)=O)(N3CCCCC3)CC2)n1C ZINC001339035145 1268154505 /nfs/dbraw/zinc/15/45/05/1268154505.db2.gz HWSSBWJXJALRHG-UHFFFAOYSA-N 0 3 362.478 0.828 20 30 FCEDHN C=CCn1c(CN2CCC(O)CC2)nnc1N1CCN(CC2CC2)CC1 ZINC001339598491 1268279839 /nfs/dbraw/zinc/27/98/39/1268279839.db2.gz UGROWDKKIHVHCP-UHFFFAOYSA-N 0 3 360.506 0.953 20 30 FCEDHN C=CCn1c(C2CCN(CCO)CC2)nnc1N1CCN(CCC#N)CC1 ZINC001339673848 1268298210 /nfs/dbraw/zinc/29/82/10/1268298210.db2.gz OGGLJQJLUYJTOG-UHFFFAOYSA-N 0 3 373.505 0.671 20 30 FCEDHN C=CCn1c(C2CCN(CCO)CC2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001340416968 1268540022 /nfs/dbraw/zinc/54/00/22/1268540022.db2.gz ZOIKIHRGWPKYRV-CQSZACIVSA-N 0 3 362.478 0.303 20 30 FCEDHN C=CC1CCN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001341442883 1268998134 /nfs/dbraw/zinc/99/81/34/1268998134.db2.gz NACOWDMLUXMIQF-INIZCTEOSA-N 0 3 364.490 0.470 20 30 FCEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC001341718832 1269168621 /nfs/dbraw/zinc/16/86/21/1269168621.db2.gz NUHKNJJWUJKPOT-CABCVRRESA-N 0 3 359.492 0.323 20 30 FCEDHN CN(C)C(=O)c1ccc(NC(=O)C(C#N)C(=O)c2cc3n(n2)CCO3)cc1 ZINC001341930727 1269270245 /nfs/dbraw/zinc/27/02/45/1269270245.db2.gz QAMCXHCQVBDZOI-ZDUSSCGKSA-N 0 3 367.365 0.938 20 30 FCEDHN C=CCn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1C1(O)CCC1 ZINC001341973803 1269285553 /nfs/dbraw/zinc/28/55/53/1269285553.db2.gz NGXFANRCYJRKNC-HNNXBMFYSA-N 0 3 374.489 0.578 20 30 FCEDHN C=CCn1c(C2CCN(CCO)CC2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001342220982 1269402532 /nfs/dbraw/zinc/40/25/32/1269402532.db2.gz OZEPRLLAYCXJNY-AWEZNQCLSA-N 0 3 362.478 0.303 20 30 FCEDHN C=C(C)Cn1c([C@H](C)O)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001342766829 1269598626 /nfs/dbraw/zinc/59/86/26/1269598626.db2.gz MZAHZVLWVSBYRN-HNNXBMFYSA-N 0 3 364.494 0.898 20 30 FCEDHN CC(C)C#CC(=O)N(CCO)CC[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573943725 1270948921 /nfs/dbraw/zinc/94/89/21/1270948921.db2.gz WZBABXZOADJSID-UHFFFAOYSA-N 0 3 374.420 0.576 20 30 FCEDHN CC(C)C#CC(=O)N(CCO)CC[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573943725 1270948924 /nfs/dbraw/zinc/94/89/24/1270948924.db2.gz WZBABXZOADJSID-UHFFFAOYSA-N 0 3 374.420 0.576 20 30 FCEDHN C#CCCCCn1c(C2CC2)nnc1N1C[C@@H]2[C@H](N)CS(=O)(=O)[C@@H]2C1 ZINC001574545611 1271334300 /nfs/dbraw/zinc/33/43/00/1271334300.db2.gz SUKFULCYVHSGMW-RBSFLKMASA-N 0 3 363.487 0.520 20 30 FCEDHN C=C(Cl)C[C@H](N)C(=O)NCC(=O)NCC(=O)NCc1ccccc1 ZINC001574851675 1271598845 /nfs/dbraw/zinc/59/88/45/1271598845.db2.gz JICIMDYCKLVCDD-ZDUSSCGKSA-N 0 3 352.822 0.005 20 30 FCEDHN C#CCN(C(=O)[C@@H]1CCOC[C@H]1C)C1CCN(CCc2cn[nH]n2)CC1 ZINC001574895645 1271656199 /nfs/dbraw/zinc/65/61/99/1271656199.db2.gz XLCPIBRIWRWRON-CRAIPNDOSA-N 0 3 359.474 0.946 20 30 FCEDHN C=C[C@](C)(CC)C(=O)N1C[C@H]2CN(CC(=O)NCc3c[nH]nn3)C[C@@]2(C)C1 ZINC001575073175 1271710710 /nfs/dbraw/zinc/71/07/10/1271710710.db2.gz OCFURPHTDMVUCU-ZMYBRWDISA-N 0 3 374.489 0.804 20 30 FCEDHN C=CCCC(=O)N1C[C@H]2CN([C@@H](C)C(=O)NCc3c[nH]nn3)C[C@@]2(C)C1 ZINC001575085796 1271714369 /nfs/dbraw/zinc/71/43/69/1271714369.db2.gz NUHFLOZOMZDAOQ-IYOUNJFTSA-N 0 3 360.462 0.556 20 30 FCEDHN C=CCCCC(=O)NC[C@@H]1[C@H]2CN([C@@H](C)C(=O)NCc3c[nH]nn3)C[C@H]21 ZINC001575093384 1271717301 /nfs/dbraw/zinc/71/73/01/1271717301.db2.gz JESSTMLQZKUACY-QCEMKRCNSA-N 0 3 360.462 0.460 20 30 FCEDHN CCN(CC#CCOC)CCNC(=O)C1CCN(Cc2cn[nH]n2)CC1 ZINC001576517843 1273402473 /nfs/dbraw/zinc/40/24/73/1273402473.db2.gz VETORNPHDFCCTE-UHFFFAOYSA-N 0 3 362.478 0.105 20 30 FCEDHN COCC#CCN1CC[C@@H](NC(=O)c2ccc(-c3cn[nH]n3)cc2)[C@@H](O)C1 ZINC001576951670 1273971126 /nfs/dbraw/zinc/97/11/26/1273971126.db2.gz CDUWLLOCHSMSCX-AEFFLSMTSA-N 0 3 369.425 0.287 20 30 FCEDHN COCC#CCN1CC[C@@H](CCNC(=O)c2ccc(-c3c[nH]nn3)cn2)C1 ZINC001576952752 1273972938 /nfs/dbraw/zinc/97/29/38/1273972938.db2.gz KEXAYNHLSXQADS-OAHLLOKOSA-N 0 3 368.441 0.958 20 30 FCEDHN COCC#CCN1C[C@@H]2CN(C(=O)c3ccc(-c4cn[nH]n4)nc3)C[C@@H]2C1 ZINC001576954414 1273977227 /nfs/dbraw/zinc/97/72/27/1273977227.db2.gz WSVGHIDXVRPDEG-IYBDPMFKSA-N 0 3 366.425 0.520 20 30 FCEDHN COCCC1(NC(=O)c2cc(C#N)c[nH]2)CCN(CCc2cn[nH]n2)CC1 ZINC001576987611 1274015683 /nfs/dbraw/zinc/01/56/83/1274015683.db2.gz KKULXKFGSDHGID-UHFFFAOYSA-N 0 3 371.445 0.848 20 30 FCEDHN COC(=O)CC[C@@H](N)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001578808376 1276299648 /nfs/dbraw/zinc/29/96/48/1276299648.db2.gz BZPOJGFGHAFITO-HUUCEWRRSA-N 0 3 358.398 0.450 20 30 FCEDHN CN1CCC([NH+]2CCC(Nc3cnc(C#N)c(-c4nn[n-]n4)n3)CC2)CC1 ZINC001579349831 1277205695 /nfs/dbraw/zinc/20/56/95/1277205695.db2.gz UFWHSKXJMVMVHN-UHFFFAOYSA-N 0 3 368.449 0.499 20 30 FCEDHN C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)c1cc(C#N)c[nH]1 ZINC001580278561 1278074554 /nfs/dbraw/zinc/07/45/54/1278074554.db2.gz CCPPBLPWFPQMGL-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)c1cc(C#N)c[nH]1 ZINC001580278561 1278074562 /nfs/dbraw/zinc/07/45/62/1278074562.db2.gz CCPPBLPWFPQMGL-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CCO)(NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001718219372 1287481458 /nfs/dbraw/zinc/48/14/58/1287481458.db2.gz ROZJBHWCHUAGGD-PMPSAXMXSA-N 0 3 367.490 0.243 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001588351515 1282448046 /nfs/dbraw/zinc/44/80/46/1282448046.db2.gz XQKGRGPKEOAYKG-CJNGLKHVSA-N 0 3 366.429 0.054 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001588354814 1282449766 /nfs/dbraw/zinc/44/97/66/1282449766.db2.gz ABHHOIDCKWGFOQ-IUODEOHRSA-N 0 3 372.404 0.735 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001588354814 1282449769 /nfs/dbraw/zinc/44/97/69/1282449769.db2.gz ABHHOIDCKWGFOQ-IUODEOHRSA-N 0 3 372.404 0.735 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588355537 1282456087 /nfs/dbraw/zinc/45/60/87/1282456087.db2.gz JJIGWHSCKZODAW-GOEBONIOSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001588355537 1282456092 /nfs/dbraw/zinc/45/60/92/1282456092.db2.gz JJIGWHSCKZODAW-GOEBONIOSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@H](C)CC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588356299 1282458299 /nfs/dbraw/zinc/45/82/99/1282458299.db2.gz VZLDLMPGPNUXAO-ZIAGYGMSSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@H](C)CC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588356299 1282458304 /nfs/dbraw/zinc/45/83/04/1282458304.db2.gz VZLDLMPGPNUXAO-ZIAGYGMSSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588358000 1282467088 /nfs/dbraw/zinc/46/70/88/1282467088.db2.gz ODHKJAPIRAVEQE-STQMWFEESA-N 0 3 374.420 0.981 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001588359692 1282476523 /nfs/dbraw/zinc/47/65/23/1282476523.db2.gz AENJRNBHQJJKHH-MRVWCRGKSA-N 0 3 372.404 0.781 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001588359692 1282476526 /nfs/dbraw/zinc/47/65/26/1282476526.db2.gz AENJRNBHQJJKHH-MRVWCRGKSA-N 0 3 372.404 0.781 20 30 FCEDHN C=C(C)CC[NH2+][C@@]1(CO)CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588423726 1282506387 /nfs/dbraw/zinc/50/63/87/1282506387.db2.gz AKGXWZILIBONSZ-KRWDZBQOSA-N 0 3 359.434 0.718 20 30 FCEDHN C=C(C)CC[NH2+][C@@]1(CO)CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588423726 1282506398 /nfs/dbraw/zinc/50/63/98/1282506398.db2.gz AKGXWZILIBONSZ-KRWDZBQOSA-N 0 3 359.434 0.718 20 30 FCEDHN C=C[C@](C)(O)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588498697 1282528614 /nfs/dbraw/zinc/52/86/14/1282528614.db2.gz CHEUZRWQZNNSTI-YJBOKZPZSA-N 0 3 356.430 0.884 20 30 FCEDHN C=C[C@](C)(O)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001588498697 1282528628 /nfs/dbraw/zinc/52/86/28/1282528628.db2.gz CHEUZRWQZNNSTI-YJBOKZPZSA-N 0 3 356.430 0.884 20 30 FCEDHN C=C[C@](C)(O)CC(=O)NCCC[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588504047 1282544425 /nfs/dbraw/zinc/54/44/25/1282544425.db2.gz IHJKIAQLZCFILN-KRWDZBQOSA-N 0 3 362.409 0.929 20 30 FCEDHN C=C[C@](C)(O)CC(=O)NCCC[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588504047 1282544430 /nfs/dbraw/zinc/54/44/30/1282544430.db2.gz IHJKIAQLZCFILN-KRWDZBQOSA-N 0 3 362.409 0.929 20 30 FCEDHN C=CCOCC[N@@H+]1CCC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001588682176 1282641436 /nfs/dbraw/zinc/64/14/36/1282641436.db2.gz CTNHDMIPHRSQGU-UHFFFAOYSA-N 0 3 357.418 0.545 20 30 FCEDHN C=CCOCC[N@H+]1CCC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001588682176 1282641442 /nfs/dbraw/zinc/64/14/42/1282641442.db2.gz CTNHDMIPHRSQGU-UHFFFAOYSA-N 0 3 357.418 0.545 20 30 FCEDHN C=CCOCC[N@@H+]1CCC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001588682176 1282641454 /nfs/dbraw/zinc/64/14/54/1282641454.db2.gz CTNHDMIPHRSQGU-UHFFFAOYSA-N 0 3 357.418 0.545 20 30 FCEDHN C=CCOCC[N@H+]1CCC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001588682176 1282641468 /nfs/dbraw/zinc/64/14/68/1282641468.db2.gz CTNHDMIPHRSQGU-UHFFFAOYSA-N 0 3 357.418 0.545 20 30 FCEDHN C=CCOCC[NH2+]C[C@]1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588682498 1282641531 /nfs/dbraw/zinc/64/15/31/1282641531.db2.gz GGHOELKBAOAYNN-KRWDZBQOSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[NH2+]C[C@]1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588682498 1282641546 /nfs/dbraw/zinc/64/15/46/1282641546.db2.gz GGHOELKBAOAYNN-KRWDZBQOSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2 ZINC001588682107 1282641776 /nfs/dbraw/zinc/64/17/76/1282641776.db2.gz BGLVQPVOHDSLQI-QEJZJMRPSA-N 0 3 371.445 0.980 20 30 FCEDHN C=CCOCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001588682107 1282641790 /nfs/dbraw/zinc/64/17/90/1282641790.db2.gz BGLVQPVOHDSLQI-QEJZJMRPSA-N 0 3 371.445 0.980 20 30 FCEDHN C=CCOCC[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588683373 1282645159 /nfs/dbraw/zinc/64/51/59/1282645159.db2.gz RBKZSEJVSJMTAH-ZDUSSCGKSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588683373 1282645166 /nfs/dbraw/zinc/64/51/66/1282645166.db2.gz RBKZSEJVSJMTAH-ZDUSSCGKSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[NH2+][C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1C ZINC001588683493 1282645575 /nfs/dbraw/zinc/64/55/75/1282645575.db2.gz WBWCHGIZEOAEGX-JSGCOSHPSA-N 0 3 359.434 0.838 20 30 FCEDHN C=CCOCC[NH2+][C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001588683493 1282645592 /nfs/dbraw/zinc/64/55/92/1282645592.db2.gz WBWCHGIZEOAEGX-JSGCOSHPSA-N 0 3 359.434 0.838 20 30 FCEDHN C=CCn1cc(C(=O)N[C@@H](C)C[NH2+]Cc2ccccc2-c2nnn[n-]2)nn1 ZINC001588713751 1282660714 /nfs/dbraw/zinc/66/07/14/1282660714.db2.gz RUYHCNIWXLUAPG-LBPRGKRZSA-N 0 3 367.417 0.552 20 30 FCEDHN C=CCn1cc(C(=O)N[C@@H](C)C[NH2+]Cc2ccccc2-c2nn[n-]n2)nn1 ZINC001588713751 1282660727 /nfs/dbraw/zinc/66/07/27/1282660727.db2.gz RUYHCNIWXLUAPG-LBPRGKRZSA-N 0 3 367.417 0.552 20 30 FCEDHN CC(C)(C)C#CC(=O)N(CCO)CC[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001589065891 1282787958 /nfs/dbraw/zinc/78/79/58/1282787958.db2.gz UAJLNUPMSKYHGE-UHFFFAOYSA-N 0 3 370.457 0.827 20 30 FCEDHN CC(C)(C)C#CC(=O)N(CCO)CC[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001589065891 1282787965 /nfs/dbraw/zinc/78/79/65/1282787965.db2.gz UAJLNUPMSKYHGE-UHFFFAOYSA-N 0 3 370.457 0.827 20 30 FCEDHN C[C@H](CNC(=O)CSCC#N)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589856432 1283093876 /nfs/dbraw/zinc/09/38/76/1283093876.db2.gz NBBLDHANJICAKB-SNVBAGLBSA-N 0 3 363.422 0.857 20 30 FCEDHN CN(CCOCC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C#CC1CC1 ZINC001591112880 1284187943 /nfs/dbraw/zinc/18/79/43/1284187943.db2.gz QDCXXUFMPOJDKN-UHFFFAOYSA-N 0 3 368.441 0.845 20 30 FCEDHN COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001591360446 1284496037 /nfs/dbraw/zinc/49/60/37/1284496037.db2.gz CYXJYRXNTBGCAQ-ZDUSSCGKSA-N 0 3 357.418 0.429 20 30 FCEDHN COCC#CC[NH2+]CCCC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001591360274 1284496619 /nfs/dbraw/zinc/49/66/19/1284496619.db2.gz BVPPGQQWVDNXAJ-ZDUSSCGKSA-N 0 3 359.434 0.723 20 30 FCEDHN COCC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001591360257 1284496876 /nfs/dbraw/zinc/49/68/76/1284496876.db2.gz BSMKWPOBLFAGOT-CHWSQXEVSA-N 0 3 357.418 0.285 20 30 FCEDHN COCC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001591360257 1284496878 /nfs/dbraw/zinc/49/68/78/1284496878.db2.gz BSMKWPOBLFAGOT-CHWSQXEVSA-N 0 3 357.418 0.285 20 30 FCEDHN COCC#CC[NH2+]C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001591361812 1284498076 /nfs/dbraw/zinc/49/80/76/1284498076.db2.gz OIFZGXADFIANFS-OLZOCXBDSA-N 0 3 357.418 0.142 20 30 FCEDHN COCC#CC[N@H+](C)C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001591361389 1284498399 /nfs/dbraw/zinc/49/83/99/1284498399.db2.gz KXDBVIGBKMDWFT-CYBMUJFWSA-N 0 3 357.418 0.239 20 30 FCEDHN COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001591361389 1284498402 /nfs/dbraw/zinc/49/84/02/1284498402.db2.gz KXDBVIGBKMDWFT-CYBMUJFWSA-N 0 3 357.418 0.239 20 30 FCEDHN CN(C)CC#CCNC(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001604676851 1287724848 /nfs/dbraw/zinc/72/48/48/1287724848.db2.gz CGHIMGJXZJXXHJ-UHFFFAOYSA-N 0 3 368.445 0.263 20 30 FCEDHN COc1ccc(-c2nn[nH]n2)cc1CNC[C@H](C)NC(=O)C#CC1CC1 ZINC001591563056 1284738046 /nfs/dbraw/zinc/73/80/46/1284738046.db2.gz CERSHIOMILVNJO-LBPRGKRZSA-N 0 3 354.414 0.883 20 30 FCEDHN N#CCCC[C@H]([NH3+])C(=O)N1CCN(c2ccsc2-c2nnn[n-]2)CC1 ZINC001592674662 1285569961 /nfs/dbraw/zinc/56/99/61/1285569961.db2.gz IEFKJTMEEIAXAV-NSHDSACASA-N 0 3 360.447 0.598 20 30 FCEDHN N#CCCC[C@H]([NH3+])C(=O)N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001592674662 1285569964 /nfs/dbraw/zinc/56/99/64/1285569964.db2.gz IEFKJTMEEIAXAV-NSHDSACASA-N 0 3 360.447 0.598 20 30 FCEDHN N#CCCC[C@@H]([NH3+])C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001592675075 1285570773 /nfs/dbraw/zinc/57/07/73/1285570773.db2.gz QEWUWSOAVMRQNG-OAHLLOKOSA-N 0 3 354.418 0.536 20 30 FCEDHN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCN(CCn2cncn2)[C@@H]1CC ZINC001692016057 1289365327 /nfs/dbraw/zinc/36/53/27/1289365327.db2.gz SUMOACKKLVDORS-YESZJQIVSA-N 0 3 362.478 0.718 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CNCc1cc(=O)n2nccc2[nH]1)C1CC1 ZINC001699587610 1289558666 /nfs/dbraw/zinc/55/86/66/1289558666.db2.gz DGGPKOVWCKCAJV-OAGGEKHMSA-N 0 3 371.441 0.598 20 30 FCEDHN N#Cc1ccc(NCC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)nc1 ZINC001626353765 1290391475 /nfs/dbraw/zinc/39/14/75/1290391475.db2.gz FCRRSVYHNPXJEL-HNNXBMFYSA-N 0 3 356.430 0.306 20 30 FCEDHN COC(=O)CCN(CC(=O)N(CCC#N)CCC#N)C1CCOCC1 ZINC001657423507 1291608661 /nfs/dbraw/zinc/60/86/61/1291608661.db2.gz ADAJNZCTDCDNOI-UHFFFAOYSA-N 0 3 350.419 0.686 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2ccc3nnnn3c2)C[C@H]1c1cnn(C)c1 ZINC001689032058 1294577988 /nfs/dbraw/zinc/57/79/88/1294577988.db2.gz LNNCOPCILKIURA-JKSUJKDBSA-N 0 3 364.413 0.079 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H](CC(C)C)NC(C)=O)C[C@H]1c1cnn(C)c1 ZINC001689035975 1294581083 /nfs/dbraw/zinc/58/10/83/1294581083.db2.gz MCAZAFJBGCNOPC-RCCFBDPRSA-N 0 3 359.474 0.488 20 30 FCEDHN C=CCNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1ccon1 ZINC001689082755 1294602527 /nfs/dbraw/zinc/60/25/27/1294602527.db2.gz VAOULNWFHQKFLJ-OLZOCXBDSA-N 0 3 363.418 0.517 20 30 FCEDHN C[C@@H]1CN(C(=O)c2nn(C)c3ccccc32)C[C@H]1NCC(=O)NCC#N ZINC001690872498 1294890762 /nfs/dbraw/zinc/89/07/62/1294890762.db2.gz WRMCOGAANNEZPZ-TZMCWYRMSA-N 0 3 354.414 0.263 20 30 FCEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001691840476 1294935800 /nfs/dbraw/zinc/93/58/00/1294935800.db2.gz XOJRFBWFHCUJMC-DLBZAZTESA-N 0 3 363.483 0.533 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1n1ccnn1 ZINC001070287240 837643248 /nfs/dbraw/zinc/64/32/48/837643248.db2.gz UKRVRWWKVOJTJR-KFWWJZLASA-N 0 3 367.475 0.021 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2CCCCS2(=O)=O)C[C@H]1c1cn(C)cn1 ZINC001070499243 837655320 /nfs/dbraw/zinc/65/53/20/837655320.db2.gz JHAAJCATMCYIBR-IMJJTQAJSA-N 0 3 366.487 0.457 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)C[C@H]1c1cn(C)cn1 ZINC001070565092 837659153 /nfs/dbraw/zinc/65/91/53/837659153.db2.gz DHZPXJZGVJHRAK-NUEKZKHPSA-N 0 3 366.487 0.457 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C(F)(F)F ZINC001099330111 844027646 /nfs/dbraw/zinc/02/76/46/844027646.db2.gz GQTLGBFDUJWTLL-GHMZBOCLSA-N 0 3 362.352 0.483 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@H]1C(F)(F)F ZINC001099338955 844032106 /nfs/dbraw/zinc/03/21/06/844032106.db2.gz PNVBPPIYINWXNQ-OUAUKWLOSA-N 0 3 362.352 0.530 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cc2nc3ncccn3n2)C[C@H]1C(F)(F)F ZINC001099341670 844033998 /nfs/dbraw/zinc/03/39/98/844033998.db2.gz OPNGHZPLTYWPGV-GHMZBOCLSA-N 0 3 354.336 0.832 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC[C@@H]1CNC(=O)CN(CC)CC ZINC001061603953 836698536 /nfs/dbraw/zinc/69/85/36/836698536.db2.gz FGBATIMLKXKWKH-XHSDSOJGSA-N 0 3 353.463 0.263 20 30 FCEDHN CC(C)N1CC[C@@H](N2C[C@@H](CNC(=O)CSCC#N)[C@H](C)C2)C1=O ZINC001101737592 844241484 /nfs/dbraw/zinc/24/14/84/844241484.db2.gz VHXNFZAHHJZYEB-RBSFLKMASA-N 0 3 352.504 0.937 20 30 FCEDHN C[C@H]1[C@@H](NCc2ccc(C#N)s2)CCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001074880563 837839851 /nfs/dbraw/zinc/83/98/51/837839851.db2.gz ILSPXVHNVMPTGP-FBUXBERBSA-N 0 3 362.455 0.732 20 30 FCEDHN C=CCOCCCC(=O)NC[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001101852814 844295884 /nfs/dbraw/zinc/29/58/84/844295884.db2.gz MWCBTXVXMBOGDH-KFWWJZLASA-N 0 3 351.447 0.459 20 30 FCEDHN C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(CC(=O)N(C)CC2CC2)C[C@H]1C ZINC001101916372 844326230 /nfs/dbraw/zinc/32/62/30/844326230.db2.gz BTYIQQBLUOXYRT-OGWOLHLISA-N 0 3 351.491 0.866 20 30 FCEDHN C#CCC1(C(=O)NC[C@@H]2CN(CCN(C)S(C)(=O)=O)C[C@H]2C)CCC1 ZINC001102037310 844391119 /nfs/dbraw/zinc/39/11/19/844391119.db2.gz YKAKIHVVPPYZPF-HZPDHXFCSA-N 0 3 369.531 0.756 20 30 FCEDHN COCC#CCN1C[C@@H](CNC(=O)CCOC[C@@H]2CCCO2)[C@H](C)C1 ZINC001102116265 844422237 /nfs/dbraw/zinc/42/22/37/844422237.db2.gz UMYXFOMWBPGPNZ-KURKYZTESA-N 0 3 352.475 0.906 20 30 FCEDHN COCC#CCN1C[C@@H](CNC(=O)CCNC(=O)C(C)(C)C)[C@H](C)C1 ZINC001102209321 844445046 /nfs/dbraw/zinc/44/50/46/844445046.db2.gz PQPKMPVRDGEVOZ-HZPDHXFCSA-N 0 3 351.491 0.873 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H]2COCCN2CC(F)F)[C@H](OC)C1 ZINC001081983954 840132173 /nfs/dbraw/zinc/13/21/73/840132173.db2.gz NZFSWUILLCJTLG-RBSFLKMASA-N 0 3 361.433 0.734 20 30 FCEDHN C=CCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)C(C)(C)NC(C)=O)[C@H](C)C1 ZINC001102468542 844510768 /nfs/dbraw/zinc/51/07/68/844510768.db2.gz NLJKTEPHTMWGQD-VNHYZAJKSA-N 0 3 352.479 0.276 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)Cc2csc(C)n2)[C@H](C)C1 ZINC001102558729 844563577 /nfs/dbraw/zinc/56/35/77/844563577.db2.gz ITSLUCNYMRKMOL-UMVBOHGHSA-N 0 3 362.499 0.816 20 30 FCEDHN C=C(Cl)CN1C[C@H]2OCCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083148828 840753000 /nfs/dbraw/zinc/75/30/00/840753000.db2.gz IQVADODPXJRVEZ-HNCZQISISA-N 0 3 367.877 0.514 20 30 FCEDHN C=CCN1CC[C@@H](N2C[C@@H](CNC(=O)CCCC(N)=O)[C@H](C)C2)C1=O ZINC001102614972 844602235 /nfs/dbraw/zinc/60/22/35/844602235.db2.gz GYPKZSRWCQTJSD-RBSFLKMASA-N 0 3 350.463 0.113 20 30 FCEDHN C=CCN1CC[C@H](N2CC[C@@H]3CCN(C(=O)c4csnn4)C[C@@H]32)C1=O ZINC001085000407 841986602 /nfs/dbraw/zinc/98/66/02/841986602.db2.gz JYAAYCSTBIURAV-QEJZJMRPSA-N 0 3 361.471 0.861 20 30 FCEDHN CN(C)[C@H](C(=O)N[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1O)C1CC1 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N#Cc1ccc(S(=O)(=O)CCNCC2CCS(=O)(=O)CC2)nc1 ZINC001261437258 858548175 /nfs/dbraw/zinc/54/81/75/858548175.db2.gz YINFNABRHOTQSK-UHFFFAOYSA-N 0 3 357.457 0.141 20 30 FCEDHN C=CCn1c(CNS(=O)(=O)CC)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001262989682 859078351 /nfs/dbraw/zinc/07/83/51/859078351.db2.gz CBAAPRMNUWXVQI-KBPBESRZSA-N 0 3 370.523 0.822 20 30 FCEDHN CC(=O)N[C@@H](CS)C(=O)N1CCC2(CCN(Cc3cn[nH]c3)C2)CC1 ZINC001270179282 859679763 /nfs/dbraw/zinc/67/97/63/859679763.db2.gz KCFBDFCZXFAGIQ-HNNXBMFYSA-N 0 3 365.503 0.659 20 30 FCEDHN C=CCCCN1C[C@@H](C(=O)NCCS(C)(=O)=O)[C@H](c2cn(C)cn2)C1 ZINC001280121297 863275420 /nfs/dbraw/zinc/27/54/20/863275420.db2.gz RZJKASQMBGGEKY-HUUCEWRRSA-N 0 3 368.503 0.563 20 30 FCEDHN CS(=O)(=O)Nc1cccc(CNCCNC(=O)C2N=CC=CC2=O)c1 ZINC001318457756 867669839 /nfs/dbraw/zinc/66/98/39/867669839.db2.gz YBGARHGYIYVZBA-FOCLMDBBSA-N 0 3 364.427 0.674 20 30 FCEDHN C[C@H](CNCCS(=O)(=O)c1ccc(C#N)cc1)N1CCN(C)CC1 ZINC001356586288 868030046 /nfs/dbraw/zinc/03/00/46/868030046.db2.gz YTMXPLCVBYSSAQ-OAHLLOKOSA-N 0 3 350.488 0.557 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC(CC(=O)NC)CC2)CC1 ZINC001322608910 868881280 /nfs/dbraw/zinc/88/12/80/868881280.db2.gz WTQVFVAUWMADMD-UHFFFAOYSA-N 0 3 350.463 0.128 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NCc2ccc([S@@](C)=O)cc2)CC1 ZINC001324407179 869575734 /nfs/dbraw/zinc/57/57/34/869575734.db2.gz RVVDYAXNPOZZNU-RUZDIDTESA-N 0 3 363.483 0.807 20 30 FCEDHN CN(C)CCN(CC1CCCCC1)C(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC001325170129 869801934 /nfs/dbraw/zinc/80/19/34/869801934.db2.gz GSHKHSFWBKLQBV-MRXNPFEDSA-N 0 3 350.463 0.708 20 30 FCEDHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N2CC[C@](F)(C#N)C2)o1 ZINC001344708827 870986687 /nfs/dbraw/zinc/98/66/87/870986687.db2.gz RZKJPKCAPJVGPD-KRWDZBQOSA-N 0 3 350.394 0.942 20 30 FCEDHN C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573282203 946685870 /nfs/dbraw/zinc/68/58/70/946685870.db2.gz GPAGLMRYDJUDTF-DCDXPUDHSA-N 0 3 351.414 0.610 20 30 FCEDHN C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573282203 946685876 /nfs/dbraw/zinc/68/58/76/946685876.db2.gz GPAGLMRYDJUDTF-DCDXPUDHSA-N 0 3 351.414 0.610 20 30 FCEDHN C#CCO[C@H](C)C(=O)N(CC)CC[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573285837 946789821 /nfs/dbraw/zinc/78/98/21/946789821.db2.gz OWVBYHGDBAEJBH-CYBMUJFWSA-N 0 3 374.420 0.982 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](CC)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573286750 946817786 /nfs/dbraw/zinc/81/77/86/946817786.db2.gz IGKJXBAEVFEJNW-DZGCQCFKSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](CC)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573286750 946817800 /nfs/dbraw/zinc/81/78/00/946817800.db2.gz IGKJXBAEVFEJNW-DZGCQCFKSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573287040 946827107 /nfs/dbraw/zinc/82/71/07/946827107.db2.gz KSMGBOFGGWJJHP-HOCLYGCPSA-N 0 3 368.441 0.843 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573287040 946827123 /nfs/dbraw/zinc/82/71/23/946827123.db2.gz KSMGBOFGGWJJHP-HOCLYGCPSA-N 0 3 368.441 0.843 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573287040 946827135 /nfs/dbraw/zinc/82/71/35/946827135.db2.gz KSMGBOFGGWJJHP-HOCLYGCPSA-N 0 3 368.441 0.843 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573287040 946827149 /nfs/dbraw/zinc/82/71/49/946827149.db2.gz KSMGBOFGGWJJHP-HOCLYGCPSA-N 0 3 368.441 0.843 20 30 FCEDHN C[C@@H](C#N)C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573562721 946979350 /nfs/dbraw/zinc/97/93/50/946979350.db2.gz WTDHLVVWGRXYSM-GXTWGEPZSA-N 0 3 357.418 0.277 20 30 FCEDHN C[C@@H](C#N)C(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573562721 946979356 /nfs/dbraw/zinc/97/93/56/946979356.db2.gz WTDHLVVWGRXYSM-GXTWGEPZSA-N 0 3 357.418 0.277 20 30 FCEDHN C[C@H](C#N)C(=O)NC1(C[NH2+]Cc2ccccc2-c2nnn[n-]2)CCOCC1 ZINC001573573382 947122367 /nfs/dbraw/zinc/12/23/67/947122367.db2.gz NAZDZPGLUZVGGL-CYBMUJFWSA-N 0 3 369.429 0.781 20 30 FCEDHN C[C@H](C#N)C(=O)NC1(C[NH2+]Cc2ccccc2-c2nn[n-]n2)CCOCC1 ZINC001573573382 947122371 /nfs/dbraw/zinc/12/23/71/947122371.db2.gz NAZDZPGLUZVGGL-CYBMUJFWSA-N 0 3 369.429 0.781 20 30 FCEDHN C[C@@H](C#N)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001573576187 947147466 /nfs/dbraw/zinc/14/74/66/947147466.db2.gz DSSOLHTYRYEUJA-VCOSZWKGSA-N 0 3 351.414 0.820 20 30 FCEDHN C[C@@H](C#N)C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001573576187 947147471 /nfs/dbraw/zinc/14/74/71/947147471.db2.gz DSSOLHTYRYEUJA-VCOSZWKGSA-N 0 3 351.414 0.820 20 30 FCEDHN C=CCn1cc(C(=O)N[C@H](C)C[NH2+]Cc2ccccc2-c2nnn[n-]2)nn1 ZINC001573351547 947616514 /nfs/dbraw/zinc/61/65/14/947616514.db2.gz RUYHCNIWXLUAPG-GFCCVEGCSA-N 0 3 367.417 0.552 20 30 FCEDHN C=CCn1cc(C(=O)N[C@H](C)C[NH2+]Cc2ccccc2-c2nn[n-]n2)nn1 ZINC001573351547 947616526 /nfs/dbraw/zinc/61/65/26/947616526.db2.gz RUYHCNIWXLUAPG-GFCCVEGCSA-N 0 3 367.417 0.552 20 30 FCEDHN CN1CCN(CCCNC(=O)Cn2cnc(C#N)n2)[C@H](c2ccccc2)C1 ZINC000178399338 529770770 /nfs/dbraw/zinc/77/07/70/529770770.db2.gz SQCYHAUHKQQBLX-KRWDZBQOSA-N 0 3 367.457 0.645 20 30 FCEDHN CN1CCC(NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000285004057 213265376 /nfs/dbraw/zinc/26/53/76/213265376.db2.gz TXHPRWLVHVEYLT-UHFFFAOYSA-N 0 3 369.469 0.413 20 30 FCEDHN C[C@@H]1CN(CCCNC(=O)C(=O)NCc2cccc(C#N)c2)CCCO1 ZINC000283898662 213031331 /nfs/dbraw/zinc/03/13/31/213031331.db2.gz HVRVEZQOBMUEMW-OAHLLOKOSA-N 0 3 358.442 0.792 20 30 FCEDHN CCN(CC)CCNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000283727795 213000554 /nfs/dbraw/zinc/00/05/54/213000554.db2.gz LMPZREIDRWZWRH-UHFFFAOYSA-N 0 3 358.446 0.060 20 30 FCEDHN COCCOCCOCCN(C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000276309039 212210553 /nfs/dbraw/zinc/21/05/53/212210553.db2.gz WVIKDWUSNJKLKM-QGZVFWFLSA-N 0 3 352.431 0.909 20 30 FCEDHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCCOc1ccc(C#N)cc1 ZINC000419469134 246175148 /nfs/dbraw/zinc/17/51/48/246175148.db2.gz WIHYRJYIBUNPTJ-WFASDCNBSA-N 0 3 360.414 0.282 20 30 FCEDHN CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000419952325 246385422 /nfs/dbraw/zinc/38/54/22/246385422.db2.gz KEWXUWDCJUZJJM-SFHVURJKSA-N 0 3 371.485 0.692 20 30 FCEDHN N#C[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CN)CCN1Cc1ccccc1 ZINC000423628803 247084297 /nfs/dbraw/zinc/08/42/97/247084297.db2.gz WSWHSKOAKPNMTH-MSOLQXFVSA-N 0 3 369.469 0.563 20 30 FCEDHN N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN)CCN1Cc1ccccc1 ZINC000423642647 247088452 /nfs/dbraw/zinc/08/84/52/247088452.db2.gz IHEBZWMOLDWRPC-IAGOWNOFSA-N 0 3 355.442 0.173 20 30 FCEDHN C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)[C@@H]1CN ZINC000423718305 247124828 /nfs/dbraw/zinc/12/48/28/247124828.db2.gz BQLRQKULRCJEJR-GOEBONIOSA-N 0 3 370.457 0.188 20 30 FCEDHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)[C@@H]1CN ZINC000423740824 247134207 /nfs/dbraw/zinc/13/42/07/247134207.db2.gz SIJJSXPOMJLMAO-GDBMZVCRSA-N 0 3 370.457 0.188 20 30 FCEDHN N#CCCC[C@H](N)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000424067601 247165536 /nfs/dbraw/zinc/16/55/36/247165536.db2.gz PVIUIFDSVMFOMH-INIZCTEOSA-N 0 3 364.471 0.682 20 30 FCEDHN N#CCCC[C@H](N)C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000424070686 247167120 /nfs/dbraw/zinc/16/71/20/247167120.db2.gz SPXIPWPYXCBYSB-HNNXBMFYSA-N 0 3 371.507 0.273 20 30 FCEDHN COc1cc(OC)cc(N2CC[C@@H](NC(=O)[C@H](N)CCCC#N)C2=O)c1 ZINC000424130445 247171505 /nfs/dbraw/zinc/17/15/05/247171505.db2.gz ZHKBVUDYASNKNR-HZPDHXFCSA-N 0 3 360.414 0.946 20 30 FCEDHN N#CCCC[C@@H](N)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000424136485 247172253 /nfs/dbraw/zinc/17/22/53/247172253.db2.gz KRTWPQMQPBIWHO-QZTJIDSGSA-N 0 3 369.469 0.957 20 30 FCEDHN CC(C)(C)NC(=O)CN1CCC(CNC(=O)[C@H](N)CCCC#N)CC1 ZINC000424156067 247173437 /nfs/dbraw/zinc/17/34/37/247173437.db2.gz OPKCPTLFCCOZTB-OAHLLOKOSA-N 0 3 351.495 0.750 20 30 FCEDHN CN(C(=O)CN1CCN(C(=O)[C@H](N)CCCC#N)CC1)C1CCCCC1 ZINC000424155573 247173849 /nfs/dbraw/zinc/17/38/49/247173849.db2.gz MWFLDNBKLKOOAI-QGZVFWFLSA-N 0 3 363.506 0.943 20 30 FCEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424446310 247217700 /nfs/dbraw/zinc/21/77/00/247217700.db2.gz IEEUYHFOMREVPP-LSDHHAIUSA-N 0 3 352.398 0.492 20 30 FCEDHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H](C)c2cccc(C#N)c2)CC1=O ZINC000425309112 247321627 /nfs/dbraw/zinc/32/16/27/247321627.db2.gz CRMLFEQNTGCCAV-YJBOKZPZSA-N 0 3 372.469 0.957 20 30 FCEDHN CN(C)C(=O)CN1CCC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000472102391 250131912 /nfs/dbraw/zinc/13/19/12/250131912.db2.gz RCYCKCBVCLOJCT-QGZVFWFLSA-N 0 3 367.453 0.909 20 30 FCEDHN C[C@](O)(CNC(=O)C(C#N)Cc1ccc(C#N)cc1)CN1CCOCC1 ZINC000472202616 250137795 /nfs/dbraw/zinc/13/77/95/250137795.db2.gz APGUWCDDRQMOKA-MJGOQNOKSA-N 0 3 356.426 0.440 20 30 FCEDHN 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/nfs/dbraw/zinc/79/89/91/229798991.db2.gz OQAWKPZUNSTIEX-ZDUSSCGKSA-N 0 3 356.448 0.010 20 30 FCEDHN CN1CCC(N2CC[C@H](NC(=O)C(=O)Nc3ccc(F)cc3C#N)C2)CC1 ZINC000363910992 488899660 /nfs/dbraw/zinc/89/96/60/488899660.db2.gz RBJHWDWQESCFCV-HNNXBMFYSA-N 0 3 373.432 0.921 20 30 FCEDHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cn1C ZINC000328818694 488941028 /nfs/dbraw/zinc/94/10/28/488941028.db2.gz HCXAINAWMIQDKK-KGLIPLIRSA-N 0 3 369.491 0.980 20 30 FCEDHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cn1C ZINC000328818694 488941031 /nfs/dbraw/zinc/94/10/31/488941031.db2.gz HCXAINAWMIQDKK-KGLIPLIRSA-N 0 3 369.491 0.980 20 30 FCEDHN CCN1CCC(NC(=O)CN2CCC[C@](O)(Cn3ccnn3)C2)CC1 ZINC000328986087 488958124 /nfs/dbraw/zinc/95/81/24/488958124.db2.gz ZVQOAEYHJOJISQ-QGZVFWFLSA-N 0 3 350.467 0.546 20 30 FCEDHN COC[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C1CC1 ZINC000288224673 488958393 /nfs/dbraw/zinc/95/83/93/488958393.db2.gz RWLSQIFELOPZSV-GOSISDBHSA-N 0 3 372.469 0.990 20 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CCCN1CC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000598341933 492095583 /nfs/dbraw/zinc/09/55/83/492095583.db2.gz ITHMEXBJGINJSU-DZGCQCFKSA-N 0 3 364.471 0.826 20 30 FCEDHN CC(C)[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCN1 ZINC000598569768 492105385 /nfs/dbraw/zinc/10/53/85/492105385.db2.gz DPLDJQMAVYWVOZ-BBRMVZONSA-N 0 3 364.471 0.681 20 30 FCEDHN CC(C)[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCN1 ZINC000598569769 492105414 /nfs/dbraw/zinc/10/54/14/492105414.db2.gz DPLDJQMAVYWVOZ-CJNGLKHVSA-N 0 3 364.471 0.681 20 30 FCEDHN CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@@H](O)CC(C)(C)C#N ZINC000598618309 492109394 /nfs/dbraw/zinc/10/93/94/492109394.db2.gz OQOIICXBKGTOGY-ZDUSSCGKSA-N 0 3 355.460 0.945 20 30 FCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N(C)C[C@H]1C[C@@H](O)C1 ZINC000599396320 492167844 /nfs/dbraw/zinc/16/78/44/492167844.db2.gz VARTXCULPPWZRA-HDICACEKSA-N 0 3 372.469 0.678 20 30 FCEDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC1CCN(CC#N)CC1 ZINC000609340710 492206139 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C=C(C)CN1CCC(NC(=O)C(=O)N2CCO[C@H](COCC)C2)CC1 ZINC000636676423 492657237 /nfs/dbraw/zinc/65/72/37/492657237.db2.gz HMLZYQMULYAPKQ-INIZCTEOSA-N 0 3 353.463 0.407 20 30 FCEDHN CC#CC[C@H](CO)NC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000645251888 492883389 /nfs/dbraw/zinc/88/33/89/492883389.db2.gz YIENZFDVFMDCFY-QGZVFWFLSA-N 0 3 360.458 0.552 20 30 FCEDHN C=CCN(CCc1ccco1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000659749052 493285471 /nfs/dbraw/zinc/28/54/71/493285471.db2.gz QUJGSBQJWPXJES-UHFFFAOYSA-N 0 3 359.386 0.107 20 30 FCEDHN C=CCN1CC[C@H](N(C)C(=O)C(C)S(=O)(=O)C2CCOCC2)C1=O ZINC000684939944 493439475 /nfs/dbraw/zinc/43/94/75/493439475.db2.gz JAVQSFJEZRLFPC-OCCSQVGLSA-N 0 3 358.460 0.214 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H]2COc3c(cccc3OC)C2)CC1 ZINC000672270933 493749052 /nfs/dbraw/zinc/74/90/52/493749052.db2.gz YGJZRHRWKDFYSL-MRXNPFEDSA-N 0 3 373.453 0.882 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2C[C@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC000672355159 493758850 /nfs/dbraw/zinc/75/88/50/493758850.db2.gz MIECCQUPACYDMM-AAEUAGOBSA-N 0 3 363.380 0.931 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCNS(C)(=O)=O)cc1 ZINC000287017686 534290636 /nfs/dbraw/zinc/29/06/36/534290636.db2.gz CAOCXUCWKBEERT-SNVBAGLBSA-N 0 3 374.444 0.043 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)OCC)CC2)CC1 ZINC000286847496 526416617 /nfs/dbraw/zinc/41/66/17/526416617.db2.gz YQNVVAAZMBXKII-UHFFFAOYSA-N 0 3 352.435 0.054 20 30 FCEDHN C#CCNC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nc1 ZINC000151632618 527034714 /nfs/dbraw/zinc/03/47/14/527034714.db2.gz WHKHJNHAGMUJEA-INIZCTEOSA-N 0 3 355.442 0.187 20 30 FCEDHN C#CCNC(=O)c1ccc(N2CCN(C(=O)CN(CC)CC)CC2)nc1 ZINC000264894939 527034973 /nfs/dbraw/zinc/03/49/73/527034973.db2.gz UJWBVNCOZXYFJI-UHFFFAOYSA-N 0 3 357.458 0.435 20 30 FCEDHN CCN1CCN(CCNS(=O)(=O)c2ccc(C#N)cc2OC)CC1 ZINC000193991532 529146077 /nfs/dbraw/zinc/14/60/77/529146077.db2.gz FOTIAIXUUXRSJP-UHFFFAOYSA-N 0 3 352.460 0.483 20 30 FCEDHN CN(C)S(=O)(=O)c1cccc(CNC[C@@H](O)CN(C)CCC#N)c1 ZINC000591759715 546599110 /nfs/dbraw/zinc/59/91/10/546599110.db2.gz UPBJWUGQPJVYJZ-OAHLLOKOSA-N 0 3 354.476 0.233 20 30 FCEDHN COc1cc(C#N)ccc1S(=O)(=O)N(CCN(C)C)CCN(C)C ZINC000545922258 546887574 /nfs/dbraw/zinc/88/75/74/546887574.db2.gz VRBWFKGMHVJWLG-UHFFFAOYSA-N 0 3 354.476 0.681 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NCCCOC[C@H]2CCCO2)CC1 ZINC000550511039 547088801 /nfs/dbraw/zinc/08/88/01/547088801.db2.gz VERVYXBJMQGONW-MRXNPFEDSA-N 0 3 353.463 0.455 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](C)CO[C@@H]2CCOC2)CC1 ZINC000553669936 547299532 /nfs/dbraw/zinc/29/95/32/547299532.db2.gz PWPLWSTVJXBFKO-GDBMZVCRSA-N 0 3 353.463 0.453 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)CC1 ZINC000553712764 547301703 /nfs/dbraw/zinc/30/17/03/547301703.db2.gz VTMCPKQQQSGACM-KBPBESRZSA-N 0 3 373.519 0.423 20 30 FCEDHN C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000819751013 599612460 /nfs/dbraw/zinc/61/24/60/599612460.db2.gz LVRFZLZKHRHIRC-UHFFFAOYSA-N 0 3 373.392 0.711 20 30 FCEDHN COc1ccc(C[NH2+]C[C@@H]2CNc3c(C#N)cnn3C2)cc1-c1nnn[n-]1 ZINC000826202871 607567978 /nfs/dbraw/zinc/56/79/78/607567978.db2.gz QXAVBIQCYQQAQQ-GFCCVEGCSA-N 0 3 365.401 0.775 20 30 FCEDHN COc1ccc(C[NH2+]C[C@@H]2CNc3c(C#N)cnn3C2)cc1-c1nn[n-]n1 ZINC000826202871 607567980 /nfs/dbraw/zinc/56/79/80/607567980.db2.gz QXAVBIQCYQQAQQ-GFCCVEGCSA-N 0 3 365.401 0.775 20 30 FCEDHN COc1ccc(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1C#N ZINC000826202850 607568060 /nfs/dbraw/zinc/56/80/60/607568060.db2.gz PXSCXBMADVYJDE-LBPRGKRZSA-N 0 3 365.401 0.775 20 30 FCEDHN COc1ccc(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1C#N ZINC000826202850 607568062 /nfs/dbraw/zinc/56/80/62/607568062.db2.gz PXSCXBMADVYJDE-LBPRGKRZSA-N 0 3 365.401 0.775 20 30 FCEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001020420377 663148334 /nfs/dbraw/zinc/14/83/34/663148334.db2.gz UGFYECSAEPTNER-FPCVCCKLSA-N 0 3 357.882 0.856 20 30 FCEDHN CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC000941901234 666683110 /nfs/dbraw/zinc/68/31/10/666683110.db2.gz LSDRMRHIQMLVBN-RRFJBIMHSA-N 0 3 350.463 0.753 20 30 FCEDHN C[NH+](C)CC1CCN(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000733882450 666940711 /nfs/dbraw/zinc/94/07/11/666940711.db2.gz NHHDMEUHCOSSLL-UHFFFAOYSA-N 0 3 364.471 0.525 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC(C3OCCO3)CC2)CC1 ZINC000804891364 668051326 /nfs/dbraw/zinc/05/13/26/668051326.db2.gz LQYOMNSSUZBVSB-UHFFFAOYSA-N 0 3 351.447 0.365 20 30 FCEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cn(CC(N)=O)nn1 ZINC000744033401 668054892 /nfs/dbraw/zinc/05/48/92/668054892.db2.gz SUEGDLPPCLJJKD-MRVPVSSYSA-N 0 3 364.724 0.517 20 30 FCEDHN C#C[C@H](NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)[C@@H]1CCCO1 ZINC000773371885 668089603 /nfs/dbraw/zinc/08/96/03/668089603.db2.gz LKTYETXYOZQRIK-JYJNAYRXSA-N 0 3 350.463 0.409 20 30 FCEDHN [NH3+]CC[C@@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)C(F)(F)F ZINC000818614199 668922083 /nfs/dbraw/zinc/92/20/83/668922083.db2.gz VLHCAEARAABSMQ-SNVBAGLBSA-N 0 3 364.349 0.121 20 30 FCEDHN C#CCNC(=O)CCNCc1ccccc1CS(=O)(=O)NC(C)C ZINC000818944852 668964697 /nfs/dbraw/zinc/96/46/97/668964697.db2.gz QPJZTBOCPDLCQK-UHFFFAOYSA-N 0 3 351.472 0.744 20 30 FCEDHN N#Cc1ccc([C@@H](O)CNCCNS(=O)(=O)Cc2ccon2)cc1 ZINC000819136572 668982820 /nfs/dbraw/zinc/98/28/20/668982820.db2.gz KZCCAOYQMPAXMM-HNNXBMFYSA-N 0 3 350.400 0.289 20 30 FCEDHN C=CCS(=O)(=O)CCNC[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000819221176 668989356 /nfs/dbraw/zinc/98/93/56/668989356.db2.gz CFGIBUQXBYTPMX-CQSZACIVSA-N 0 3 367.427 0.055 20 30 FCEDHN N#Cc1ccc(OC[C@@H](O)CNCCS(=O)(=O)C2CCOCC2)cc1 ZINC000819350677 668998498 /nfs/dbraw/zinc/99/84/98/668998498.db2.gz RSVFBPYYUSQTTR-HNNXBMFYSA-N 0 3 368.455 0.481 20 30 FCEDHN C#CCN1CCN(S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)CC1 ZINC000809397895 669622848 /nfs/dbraw/zinc/62/28/48/669622848.db2.gz IVVMNMVBIYYIIQ-NSHDSACASA-N 0 3 356.366 0.451 20 30 FCEDHN CC(C)[C@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCN1 ZINC000831594840 669857976 /nfs/dbraw/zinc/85/79/76/669857976.db2.gz YNUXIYDQVDIHLO-CYBMUJFWSA-N 0 3 350.444 0.182 20 30 FCEDHN C[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000832249725 669896803 /nfs/dbraw/zinc/89/68/03/669896803.db2.gz BITVOVAJCQJJJR-VXGBXAGGSA-N 0 3 350.444 0.324 20 30 FCEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc(OC)c(C(=O)OC)c1 ZINC000815082341 669898858 /nfs/dbraw/zinc/89/88/58/669898858.db2.gz LNGYJYGQZJVPHF-UHFFFAOYSA-N 0 3 354.428 0.715 20 30 FCEDHN C#CCN(C)CCCNC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000836223043 670039603 /nfs/dbraw/zinc/03/96/03/670039603.db2.gz NHTRWYJXXNHDHT-UHFFFAOYSA-N 0 3 366.487 0.691 20 30 FCEDHN C#CCN(C)CCCNS(=O)(=O)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000867310707 670755266 /nfs/dbraw/zinc/75/52/66/670755266.db2.gz ANVNNJBSBVWXGX-UHFFFAOYSA-N 0 3 359.492 0.728 20 30 FCEDHN C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)ccc1F ZINC000843358003 670806633 /nfs/dbraw/zinc/80/66/33/670806633.db2.gz ZQOKABRPCQHCQS-RISCZKNCSA-N 0 3 371.434 0.478 20 30 FCEDHN CCCN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCN(C)C1 ZINC000843987258 670874925 /nfs/dbraw/zinc/87/49/25/670874925.db2.gz CAVGXBQEJRZJTG-ZDUSSCGKSA-N 0 3 364.471 0.668 20 30 FCEDHN C[C@H](CC(=O)N1CC[C@H]([NH3+])C[C@@H]1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000846744075 671145961 /nfs/dbraw/zinc/14/59/61/671145961.db2.gz WJSGXFVYAYUBQT-AGIUHOORSA-N 0 3 364.471 0.842 20 30 FCEDHN C#C[C@@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000852099508 671487544 /nfs/dbraw/zinc/48/75/44/671487544.db2.gz ASHVHWYRKARPJH-SFHVURJKSA-N 0 3 363.483 0.911 20 30 FCEDHN C#CCCN(CCOC)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000853635415 671552380 /nfs/dbraw/zinc/55/23/80/671552380.db2.gz MOPBDYZFYHRLHC-MRXNPFEDSA-N 0 3 352.479 0.610 20 30 FCEDHN C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1F ZINC000877170936 673000840 /nfs/dbraw/zinc/00/08/40/673000840.db2.gz VZJWMJVKJUNOEA-BETUJISGSA-N 0 3 353.419 0.866 20 30 FCEDHN CN(C(=O)C1CC2(C1)CNC[C@@H]2C#N)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000884153023 673431013 /nfs/dbraw/zinc/43/10/13/673431013.db2.gz ACZDOCANWAAVJI-AUUXXJPVSA-N 0 3 353.488 0.940 20 30 FCEDHN C#CCN(C(=O)c1ccc(S(=O)(=O)N(C)C)nc1)C1CCN(C)CC1 ZINC000886578898 673591878 /nfs/dbraw/zinc/59/18/78/673591878.db2.gz QCKKBJVWYCWBST-UHFFFAOYSA-N 0 3 364.471 0.502 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](NCCN2CCCS2(=O)=O)C1 ZINC000968719180 675226043 /nfs/dbraw/zinc/22/60/43/675226043.db2.gz LBRQEUOVACKNDH-OAGGEKHMSA-N 0 3 371.503 0.194 20 30 FCEDHN Cc1[nH]cnc1CC(=O)N[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1O ZINC001041124089 675497516 /nfs/dbraw/zinc/49/75/16/675497516.db2.gz JKARVKYYPGGUNF-ZIAGYGMSSA-N 0 3 360.805 0.547 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(c3nc(CC)ns3)C[C@@H]2O)CC1 ZINC001043989535 675610414 /nfs/dbraw/zinc/61/04/14/675610414.db2.gz ZAKBAYPSXKOGHO-KGLIPLIRSA-N 0 3 363.487 0.111 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)CCn3ccnc3)[C@@H]2C)CC1 ZINC000988505714 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HNPZVIJKQKVQQO-ZWKOTPCHSA-N 0 3 357.454 0.833 20 30 FCEDHN C=CCCN1C[C@H]2OCCN(C(=O)CNC(=O)NCc3ccco3)[C@H]2C1 ZINC001219050676 1224319771 /nfs/dbraw/zinc/31/97/71/1224319771.db2.gz KSAVUFTZQFMKAN-JKSUJKDBSA-N 0 3 362.430 0.567 20 30 FCEDHN C=CCCCCCN1C[C@H]2OCCN(C(=O)c3cn(C)c(=O)n3C)[C@H]2C1 ZINC001219054104 1224324447 /nfs/dbraw/zinc/32/44/47/1224324447.db2.gz XLQJKQZILRWOSO-DOTOQJQBSA-N 0 3 362.474 0.995 20 30 FCEDHN CCCCCCCN1C[C@H]2OCCN(C(=O)C[C@H]3CC(=O)NC3=O)[C@H]2C1 ZINC001219074982 1224341569 /nfs/dbraw/zinc/34/15/69/1224341569.db2.gz DMLOOGKLRAUWFI-OWCLPIDISA-N 0 3 365.474 0.921 20 30 FCEDHN Cc1cc(C(=O)NCC#CCN(C)C)cc(C(=O)NCC#CCN(C)C)c1 ZINC000913522479 1196450238 /nfs/dbraw/zinc/45/02/38/1196450238.db2.gz LEWZUIYQDMYOBN-UHFFFAOYSA-N 0 3 368.481 0.585 20 30 FCEDHN CC1C[C@H](C(=O)NCC#CCN(C)C)[C@@H](C(=O)NCC#CCN(C)C)C1 ZINC000913520956 1196451229 /nfs/dbraw/zinc/45/12/29/1196451229.db2.gz GAWKORKYRQSAFD-ROUUACIJSA-N 0 3 360.502 0.011 20 30 FCEDHN C#CCNC(=O)CC(=O)N[C@@H]1CN([C@H]2CCc3ccccc32)C[C@H]1OC ZINC001212149822 1196478150 /nfs/dbraw/zinc/47/81/50/1196478150.db2.gz HVELHXKCNHRJBW-FGTMMUONSA-N 0 3 355.438 0.629 20 30 FCEDHN C[C@H]1CN(C(=O)C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CCN1 ZINC000593781105 1196819943 /nfs/dbraw/zinc/81/99/43/1196819943.db2.gz GYKRENGSAVXELM-HNNXBMFYSA-N 0 3 369.469 0.459 20 30 FCEDHN C[C@@H]1CN(C(=O)C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CCN1 ZINC000593781106 1196820404 /nfs/dbraw/zinc/82/04/04/1196820404.db2.gz GYKRENGSAVXELM-OAHLLOKOSA-N 0 3 369.469 0.459 20 30 FCEDHN CC(C)N(C)CC(=O)N1C[C@@H](Nc2ccc(C#N)nn2)[C@@H](n2ccnn2)C1 ZINC001089089163 1196893867 /nfs/dbraw/zinc/89/38/67/1196893867.db2.gz AMCQIZFMWDRGBV-CABCVRRESA-N 0 3 369.433 0.144 20 30 FCEDHN CCN(CC)CC(=O)N1C[C@@H](Nc2ccncc2C#N)[C@@H](n2ccnn2)C1 ZINC001089089756 1196894651 /nfs/dbraw/zinc/89/46/51/1196894651.db2.gz SMUPDCVFRYCPGZ-SJORKVTESA-N 0 3 368.445 0.172 20 30 FCEDHN C#CCC1(C(=O)N2C[C@@H](CNCc3cn(C)nn3)[C@H](C)C2)CCOCC1 ZINC001106235581 1197768211 /nfs/dbraw/zinc/76/82/11/1197768211.db2.gz VWRHITDAJGZFNV-HZPDHXFCSA-N 0 3 359.474 0.819 20 30 FCEDHN N#CCOc1cccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000735591136 1197866714 /nfs/dbraw/zinc/86/67/14/1197866714.db2.gz XAYHEGJPADQLLD-GDBMZVCRSA-N 0 3 358.398 0.507 20 30 FCEDHN C#CCOc1cccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000735592145 1197867649 /nfs/dbraw/zinc/86/76/49/1197867649.db2.gz CDJREIWBVXZVJO-NVXWUHKLSA-N 0 3 357.410 0.617 20 30 FCEDHN COCCCNC(=O)C(C#N)C(=O)[C@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000741429206 1198096501 /nfs/dbraw/zinc/09/65/01/1198096501.db2.gz DGTZZCMMDKPUFP-GJZGRUSLSA-N 0 3 366.462 0.926 20 30 FCEDHN CC(C)(C)OC(=O)N1CCN(CC(=O)C(C#N)C(=O)NC2CC2)C(=O)C1 ZINC000741429861 1198096971 /nfs/dbraw/zinc/09/69/71/1198096971.db2.gz HEOMKTOYDZIIPM-GFCCVEGCSA-N 0 3 364.402 0.053 20 30 FCEDHN COc1ccc(C#N)cc1CN[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001086199288 1198245218 /nfs/dbraw/zinc/24/52/18/1198245218.db2.gz WDDFPHSCVGFCET-BVUBDWEXSA-N 0 3 356.426 0.673 20 30 FCEDHN C#CCNC(=O)CC(=O)N[C@@H]1CN(CC[C@H]2CCc3ccccc32)C[C@@H]1O ZINC001219492472 1224486580 /nfs/dbraw/zinc/48/65/80/1224486580.db2.gz NAEQCDQYWHQKNU-QRQLOZEOSA-N 0 3 369.465 0.407 20 30 FCEDHN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CC(CC#N)C1 ZINC001169195831 1199052021 /nfs/dbraw/zinc/05/20/21/1199052021.db2.gz NLCBQTZBDGLODO-CYBMUJFWSA-N 0 3 358.446 0.838 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)CCCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001129369811 1199127011 /nfs/dbraw/zinc/12/70/11/1199127011.db2.gz HQGLJXNYWURGMQ-CVEARBPZSA-N 0 3 358.450 0.658 20 30 FCEDHN CCCCCCCN1C[C@@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)[C@@H](O)C1 ZINC001219636544 1224541494 /nfs/dbraw/zinc/54/14/94/1224541494.db2.gz IATLUMGEAAWTST-CABCVRRESA-N 0 3 367.490 0.903 20 30 FCEDHN C=CCCCCCN1C[C@@H](NC(=O)Cc2nnn(C(C)(C)C)n2)[C@@H](O)C1 ZINC001219680809 1224557274 /nfs/dbraw/zinc/55/72/74/1224557274.db2.gz ALIBTTKWURYTSB-CABCVRRESA-N 0 3 364.494 0.878 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)CCOC2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129381903 1200052793 /nfs/dbraw/zinc/05/27/93/1200052793.db2.gz SFDVGUCNPPDRFM-SJORKVTESA-N 0 3 363.462 0.781 20 30 FCEDHN C=CCN1CC[C@H](N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2nc[nH]n2)C3)C1=O ZINC001109137600 1200063309 /nfs/dbraw/zinc/06/33/09/1200063309.db2.gz OVKUOLUDXLZKRF-QPSCCSFWSA-N 0 3 358.446 0.246 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc3c1CCC3)C2 ZINC001109480796 1200318970 /nfs/dbraw/zinc/31/89/70/1200318970.db2.gz CAFGDXIARWTRAP-MPTQWLOMSA-N 0 3 357.458 0.924 20 30 FCEDHN C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)N1CCCC1)C2 ZINC001109555425 1200386909 /nfs/dbraw/zinc/38/69/09/1200386909.db2.gz PYTSKRJFPYAWTM-DFEOGRTESA-N 0 3 358.486 0.332 20 30 FCEDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCNc1ncccc1C#N ZINC000770581363 1200461973 /nfs/dbraw/zinc/46/19/73/1200461973.db2.gz IOMJRFSVHVMRCP-HNNXBMFYSA-N 0 3 359.478 0.690 20 30 FCEDHN C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3[nH]cnc31)C2 ZINC001109705156 1200468705 /nfs/dbraw/zinc/46/87/05/1200468705.db2.gz SETQDOFPQWOQJX-VRKREXBASA-N 0 3 357.458 0.853 20 30 FCEDHN CCN(CCC#N)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cnn[nH]1)C2 ZINC001109737010 1200500893 /nfs/dbraw/zinc/50/08/93/1200500893.db2.gz PZOSCFCMJGQHHG-PMPSAXMXSA-N 0 3 373.461 0.221 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cnc[nH]1)C2 ZINC001109762753 1200510278 /nfs/dbraw/zinc/51/02/78/1200510278.db2.gz DDVBNKXZOJXCFU-RZFFKMDDSA-N 0 3 374.445 0.074 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)c1cnc[nH]1)C2 ZINC001109977256 1200659554 /nfs/dbraw/zinc/65/95/54/1200659554.db2.gz AADVFHZDXMEHCH-KBXIAJHMSA-N 0 3 357.458 0.547 20 30 FCEDHN CN(CC(=O)N[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@@H]1O)C1CCC1 ZINC001219813735 1224629650 /nfs/dbraw/zinc/62/96/50/1224629650.db2.gz BNTCAVUGANRLES-MSOLQXFVSA-N 0 3 360.433 0.843 20 30 FCEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC(=O)N(C)C[C@@H]1C)C(C)C ZINC000788442031 1200959269 /nfs/dbraw/zinc/95/92/69/1200959269.db2.gz BZPCELIPDSWAAK-JKSUJKDBSA-N 0 3 364.490 0.490 20 30 FCEDHN CCCCCCN(C)CC(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1O ZINC001090462499 1201199305 /nfs/dbraw/zinc/19/93/05/1201199305.db2.gz XEMDJWYZQYIOOQ-HZPDHXFCSA-N 0 3 360.462 0.526 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)C2(C(=O)NC)CCC2)[C@@H](n2ccnn2)C1 ZINC001129404265 1201308087 /nfs/dbraw/zinc/30/80/87/1201308087.db2.gz OTYLMAAUTJLOBE-CABCVRRESA-N 0 3 360.462 0.502 20 30 FCEDHN N#Cc1c[nH]c(C(=O)N2C[C@@H](NCCOC3CCC3)[C@@H](n3ccnn3)C2)c1 ZINC001129737374 1201381683 /nfs/dbraw/zinc/38/16/83/1201381683.db2.gz MIDFEPUHEGWOAK-SJORKVTESA-N 0 3 369.429 0.702 20 30 FCEDHN C#CCCCCC(=O)N1C[C@@H](NCCOCCOC)[C@@H](n2ccnn2)C1 ZINC001129756589 1201384672 /nfs/dbraw/zinc/38/46/72/1201384672.db2.gz AWJZIIABIGLQIX-SJORKVTESA-N 0 3 363.462 0.476 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)C2CCC(O)CC2)C[C@@H]1n1ccnn1 ZINC001129791559 1201389699 /nfs/dbraw/zinc/38/96/99/1201389699.db2.gz JSWVIWUAGSFDDB-BACDZXNISA-N 0 3 363.462 0.373 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1C[C@@H](NCCOCCCC)[C@@H](n2ccnn2)C1 ZINC001129829363 1201402757 /nfs/dbraw/zinc/40/27/57/1201402757.db2.gz FWTUGPQCGJNZRB-BBWFWOEESA-N 0 3 363.462 0.475 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1C[C@@H](NCCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001129830233 1201403331 /nfs/dbraw/zinc/40/33/31/1201403331.db2.gz YLYPCGSQWAVJEP-OIISXLGYSA-N 0 3 361.446 0.227 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)[C@H](OCC)C(C)C)C[C@@H]1n1ccnn1 ZINC001129837707 1201410439 /nfs/dbraw/zinc/41/04/39/1201410439.db2.gz KELFAAHVKWZKRO-IXDOHACOSA-N 0 3 365.478 0.883 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)Cc2occc2C)C[C@@H]1n1ccnn1 ZINC001129998974 1201466381 /nfs/dbraw/zinc/46/63/81/1201466381.db2.gz CBBJMVPRGUEVHC-CVEARBPZSA-N 0 3 359.430 0.966 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)C(C)(C)CCOC)C[C@@H]1n1ccnn1 ZINC001130066802 1201490097 /nfs/dbraw/zinc/49/00/97/1201490097.db2.gz LOYJRWYNGGELCQ-CVEARBPZSA-N 0 3 365.478 0.885 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CNC(=O)c2ccccc2)C[C@@H]1n1ccnn1 ZINC001130110050 1201503777 /nfs/dbraw/zinc/50/37/77/1201503777.db2.gz RDZDOPWVOHLAFI-CVEARBPZSA-N 0 3 354.414 0.236 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2ccccc2)C[C@@H]1n1ccnn1 ZINC001130115121 1201505833 /nfs/dbraw/zinc/50/58/33/1201505833.db2.gz VHOCGQTYBUKVHJ-UAGQMJEPSA-N 0 3 368.441 0.624 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)n[nH]2)[n-]1 ZINC001130186801 1201527160 /nfs/dbraw/zinc/52/71/60/1201527160.db2.gz MFGJHGFKGPYPST-JSGCOSHPSA-N 0 3 357.418 0.252 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCc2ccoc2)[n-]1 ZINC001130198735 1201534636 /nfs/dbraw/zinc/53/46/36/1201534636.db2.gz YNBUYOZWMFFMBF-GJZGRUSLSA-N 0 3 357.414 0.742 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCOC(C)C)[n-]1 ZINC001130184868 1201538066 /nfs/dbraw/zinc/53/80/66/1201538066.db2.gz KXJOGZCJKWFNSV-GJZGRUSLSA-N 0 3 363.462 0.721 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnn(C)c2C)[n-]1 ZINC001130185045 1201539018 /nfs/dbraw/zinc/53/90/18/1201539018.db2.gz UJMFLPVQACZSGH-ZFWWWQNUSA-N 0 3 371.445 0.262 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccnn2CC)[n-]1 ZINC001130204692 1201539843 /nfs/dbraw/zinc/53/98/43/1201539843.db2.gz DZQQOVLNMPGUHC-ZFWWWQNUSA-N 0 3 371.445 0.437 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C=Cc2ccc[nH]2)[n-]1 ZINC001130204841 1201541158 /nfs/dbraw/zinc/54/11/58/1201541158.db2.gz MOXFCZXMCUCILM-KQLNYGGHSA-N 0 3 368.441 0.948 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)c2ccnn2C)[n-]1 ZINC001130212999 1201545360 /nfs/dbraw/zinc/54/53/60/1201545360.db2.gz OFURJKZXWGVGDB-YDHLFZDLSA-N 0 3 371.445 0.053 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC2CCOCC2)[n-]1 ZINC001130202893 1201549766 /nfs/dbraw/zinc/54/97/66/1201549766.db2.gz NPDQJFHOCYTPOM-GJZGRUSLSA-N 0 3 361.446 0.333 20 30 FCEDHN C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ncccc2[O-])n[nH]1 ZINC001130203034 1201549861 /nfs/dbraw/zinc/54/98/61/1201549861.db2.gz QFWSEBLTYTYIGP-JSGCOSHPSA-N 0 3 370.413 0.321 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccnnc2C)[n-]1 ZINC001130222705 1201551973 /nfs/dbraw/zinc/55/19/73/1201551973.db2.gz APVABIXQBWIQEI-GJZGRUSLSA-N 0 3 369.429 0.319 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCO[C@H]2C2CC2)[n-]1 ZINC001130227517 1201554789 /nfs/dbraw/zinc/55/47/89/1201554789.db2.gz BTOGPZHBXOXILV-IVSAIRAKSA-N 0 3 373.457 0.331 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c(C)cnn2C)[n-]1 ZINC001130227706 1201555274 /nfs/dbraw/zinc/55/52/74/1201555274.db2.gz KWSROMYZZCNYFS-KBPBESRZSA-N 0 3 371.445 0.262 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C(F)(F)F)CC2)[n-]1 ZINC001130240137 1201555733 /nfs/dbraw/zinc/55/57/33/1201555733.db2.gz KDDOIOQYRJGTIM-QWRGUYRKSA-N 0 3 371.363 0.859 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ncc(C)cc2C)[n-]1 ZINC001130229723 1201555789 /nfs/dbraw/zinc/55/57/89/1201555789.db2.gz BSYZMKVDMWUNMZ-GJZGRUSLSA-N 0 3 368.441 0.842 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@]2(F)CCOC2)[n-]1 ZINC001130234669 1201557825 /nfs/dbraw/zinc/55/78/25/1201557825.db2.gz HFHYBIUEJDHHGW-DCGLDWPTSA-N 0 3 365.409 0.035 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2nc(C)oc2C)[n-]1 ZINC001130244873 1201565091 /nfs/dbraw/zinc/56/50/91/1201565091.db2.gz OQPVGRSZDCSRRF-STQMWFEESA-N 0 3 358.402 0.435 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2c(C)n[nH]c2C)[n-]1 ZINC001130248938 1201567600 /nfs/dbraw/zinc/56/76/00/1201567600.db2.gz BDEDLNBDRAUDCH-ZFWWWQNUSA-N 0 3 371.445 0.099 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(CC)n(C)n2)[n-]1 ZINC001130253768 1201570868 /nfs/dbraw/zinc/57/08/68/1201570868.db2.gz OPJAIHTZOFUMJV-ZFWWWQNUSA-N 0 3 371.445 0.126 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](OC)C2CC2)CC1 ZINC001130288053 1201577467 /nfs/dbraw/zinc/57/74/67/1201577467.db2.gz IQJBMLBTMSCBRU-NZSAHSFTSA-N 0 3 361.486 0.910 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2ccoc2)C[C@H]1c1cn(C)cn1 ZINC001130598993 1202728411 /nfs/dbraw/zinc/72/84/11/1202728411.db2.gz CDSJCVRPMOTYLC-JLJPHGGASA-N 0 3 371.441 0.902 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@](C)(NC(C)=O)C2CC2)C[C@H]1c1cn(C)cn1 ZINC001130715420 1202761829 /nfs/dbraw/zinc/76/18/29/1202761829.db2.gz ZCOJENLFVZNZJL-KVSKMBFKSA-N 0 3 359.474 0.795 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@](C)(NC(C)=O)C2CC2)C[C@H]1c1cn(C)cn1 ZINC001130715421 1202761963 /nfs/dbraw/zinc/76/19/63/1202761963.db2.gz ZCOJENLFVZNZJL-WDYCEAGBSA-N 0 3 359.474 0.795 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@H]2CN(CC)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130731796 1202772353 /nfs/dbraw/zinc/77/23/53/1202772353.db2.gz PPWQDVBHCBOBQS-CGTJXYLNSA-N 0 3 359.474 0.048 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)OCCC=C)n[n-]2)O1 ZINC001130762206 1202778798 /nfs/dbraw/zinc/77/87/98/1202778798.db2.gz OYUSFVBMRBJJAM-QLFBSQMISA-N 0 3 361.446 0.845 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@@H](C)OCCC=C)n2)O1 ZINC001130762206 1202778801 /nfs/dbraw/zinc/77/88/01/1202778801.db2.gz OYUSFVBMRBJJAM-QLFBSQMISA-N 0 3 361.446 0.845 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnn(C)c3C)n[n-]2)O1 ZINC001130759665 1202781261 /nfs/dbraw/zinc/78/12/61/1202781261.db2.gz DVIAHEKYPUAPEK-GXTWGEPZSA-N 0 3 357.418 0.220 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cnn(C)c3C)n2)O1 ZINC001130759665 1202781264 /nfs/dbraw/zinc/78/12/64/1202781264.db2.gz DVIAHEKYPUAPEK-GXTWGEPZSA-N 0 3 357.418 0.220 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnn(CC)c3)n[n-]2)O1 ZINC001130772714 1202788193 /nfs/dbraw/zinc/78/81/93/1202788193.db2.gz YMHLKSUKRSVCBH-LSDHHAIUSA-N 0 3 371.445 0.784 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cnn(CC)c3)n2)O1 ZINC001130772714 1202788196 /nfs/dbraw/zinc/78/81/96/1202788196.db2.gz YMHLKSUKRSVCBH-LSDHHAIUSA-N 0 3 371.445 0.784 20 30 FCEDHN C=C[C@](C)(O)CC(=O)NCc1n[n-]c([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n1 ZINC001130778076 1202791809 /nfs/dbraw/zinc/79/18/09/1202791809.db2.gz DYCKNOGXTMJJNJ-IYOUNJFTSA-N 0 3 361.446 0.581 20 30 FCEDHN C=C[C@](C)(O)CC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n[n-]1 ZINC001130778076 1202791814 /nfs/dbraw/zinc/79/18/14/1202791814.db2.gz DYCKNOGXTMJJNJ-IYOUNJFTSA-N 0 3 361.446 0.581 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3CCC(O)CC3)n[n-]2)O1 ZINC001130780833 1202792219 /nfs/dbraw/zinc/79/22/19/1202792219.db2.gz FSCYNYFJKBUAHO-PFSRBDOWSA-N 0 3 361.446 0.415 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)C3CCC(O)CC3)n2)O1 ZINC001130780833 1202792222 /nfs/dbraw/zinc/79/22/22/1202792222.db2.gz FSCYNYFJKBUAHO-PFSRBDOWSA-N 0 3 361.446 0.415 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3nccc(C)n3)n[n-]2)O1 ZINC001130782979 1202794296 /nfs/dbraw/zinc/79/42/96/1202794296.db2.gz IGSAHPFUFKRGFD-UONOGXRCSA-N 0 3 369.429 0.666 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3nccc(C)n3)n2)O1 ZINC001130782979 1202794298 /nfs/dbraw/zinc/79/42/98/1202794298.db2.gz IGSAHPFUFKRGFD-UONOGXRCSA-N 0 3 369.429 0.666 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3c[nH]nc3C)n[n-]2)O1 ZINC001130794504 1202795450 /nfs/dbraw/zinc/79/54/50/1202795450.db2.gz WQSPUMHEDNPBGP-GXTWGEPZSA-N 0 3 357.418 0.599 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cncn3C)n[n-]2)O1 ZINC001130792770 1202800362 /nfs/dbraw/zinc/80/03/62/1202800362.db2.gz XPGIOHVGXMIDIB-GXTWGEPZSA-N 0 3 357.418 0.301 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](CC(C)C)OC)n[n-]2)O1 ZINC001130809397 1202802103 /nfs/dbraw/zinc/80/21/03/1202802103.db2.gz WKWSWCCVSJVJLK-RRFJBIMHSA-N 0 3 363.462 0.925 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@@H](CC(C)C)OC)n2)O1 ZINC001130809397 1202802105 /nfs/dbraw/zinc/80/21/05/1202802105.db2.gz WKWSWCCVSJVJLK-RRFJBIMHSA-N 0 3 363.462 0.925 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@]3(F)CCOC3)n[n-]2)O1 ZINC001130802285 1202803410 /nfs/dbraw/zinc/80/34/10/1202803410.db2.gz LXRGWUWCSWRJQQ-AHIWAGSCSA-N 0 3 365.409 0.383 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@]3(F)CCOC3)n2)O1 ZINC001130802285 1202803412 /nfs/dbraw/zinc/80/34/12/1202803412.db2.gz LXRGWUWCSWRJQQ-AHIWAGSCSA-N 0 3 365.409 0.383 20 30 FCEDHN CN(CCCN(C)C(=O)C(=O)Nc1cnn(CC#N)c1)Cc1ccco1 ZINC000807413176 1202827304 /nfs/dbraw/zinc/82/73/04/1202827304.db2.gz FBVSNVPQQWLPCP-UHFFFAOYSA-N 0 3 358.402 0.919 20 30 FCEDHN C#CCCCC(=O)N1C[C@@H](c2cncn2C)[C@H](NCc2n[nH]c(C)n2)C1 ZINC001130971458 1202831969 /nfs/dbraw/zinc/83/19/69/1202831969.db2.gz OZRUHIFDUYPTKT-HUUCEWRRSA-N 0 3 355.446 0.734 20 30 FCEDHN COCC#CCN[C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@H]1c1cncn1C ZINC001130973107 1202832549 /nfs/dbraw/zinc/83/25/49/1202832549.db2.gz PUHHHKZQVSDLCJ-HZPDHXFCSA-N 0 3 370.457 0.310 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C(C)C)C2)C[C@H]1c1cncn1C ZINC001131003826 1202841228 /nfs/dbraw/zinc/84/12/28/1202841228.db2.gz ROFBSSWDHKDURH-BRWVUGGUSA-N 0 3 371.485 0.584 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@H]2CCc3cncn3C2)C[C@H]1c1cncn1C ZINC001131017876 1202843631 /nfs/dbraw/zinc/84/36/31/1202843631.db2.gz PZLSEGCXRHPTSG-CGTJXYLNSA-N 0 3 366.469 0.787 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCn3ccnc3C2)C[C@H]1c1cncn1C ZINC001131017947 1202843646 /nfs/dbraw/zinc/84/36/46/1202843646.db2.gz UMIUNEZDGRDIBE-BRWVUGGUSA-N 0 3 366.469 0.787 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2cn3c(n2)COCC3)C[C@H]1c1cncn1C ZINC001131017896 1202843656 /nfs/dbraw/zinc/84/36/56/1202843656.db2.gz RDXNIJAVVGJZJO-HUUCEWRRSA-N 0 3 368.441 0.368 20 30 FCEDHN COCC#CCN[C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1c1cncn1C ZINC001131038581 1202849450 /nfs/dbraw/zinc/84/94/50/1202849450.db2.gz YOAGNDAMFUCXJI-IAGOWNOFSA-N 0 3 370.457 0.241 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)CCNC(=O)C(C)(C)C)C[C@H]1c1cncn1C ZINC001131039928 1202849998 /nfs/dbraw/zinc/84/99/98/1202849998.db2.gz 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CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]cc3C2)C[C@H]1c1cncn1C ZINC001131108383 1202864643 /nfs/dbraw/zinc/86/46/43/1202864643.db2.gz RSXJSZXKZWSEGM-QGPMSJSTSA-N 0 3 366.469 0.856 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@H](NC(C)=O)C(C)C)C[C@H]1c1cncn1C ZINC001131115767 1202864907 /nfs/dbraw/zinc/86/49/07/1202864907.db2.gz ZNHLEEPQNBHTQQ-JFIYKMOQSA-N 0 3 359.474 0.488 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)CCNC(=O)CC(C)C)C[C@H]1c1cncn1C ZINC001131138604 1202868000 /nfs/dbraw/zinc/86/80/00/1202868000.db2.gz KTLLHDNAQJLJMU-HZPDHXFCSA-N 0 3 359.474 0.490 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@](C)(NC(C)=O)C(C)C)C[C@H]1c1cncn1C ZINC001131130269 1202868692 /nfs/dbraw/zinc/86/86/92/1202868692.db2.gz DXZQPIMKDGYDBI-MDZRGWNJSA-N 0 3 359.474 0.488 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)CNC(=O)C(CC)CC)C[C@H]1c1cncn1C ZINC001131136664 1202871463 /nfs/dbraw/zinc/87/14/63/1202871463.db2.gz YBUUCEGVKMNQMM-HZPDHXFCSA-N 0 3 359.474 0.490 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccnc2)CC1 ZINC001131408412 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0.359 20 30 FCEDHN C#CCC1(O)CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000883282908 1210660329 /nfs/dbraw/zinc/66/03/29/1210660329.db2.gz KVQXJJKHQLHVNB-INIZCTEOSA-N 0 3 364.490 0.489 20 30 FCEDHN N#Cc1ccc(CN2CCC(NCc3nnc4n3CCNC4=O)CC2)cc1 ZINC000883294297 1210660985 /nfs/dbraw/zinc/66/09/85/1210660985.db2.gz VJKGIQBAEAAGOY-UHFFFAOYSA-N 0 3 365.441 0.647 20 30 FCEDHN C#CCN1CCC[C@H](NC(=O)NCc2ccc(N3CCN(C)CC3)nc2)C1 ZINC000884045528 1210711254 /nfs/dbraw/zinc/71/12/54/1210711254.db2.gz XFIMKVWSDJHVLG-SFHVURJKSA-N 0 3 370.501 0.730 20 30 FCEDHN N#C[C@H]1CNCC12CC(C(=O)NCC(=O)N1CCc3ccccc3C1)C2 ZINC000884119957 1210715616 /nfs/dbraw/zinc/71/56/16/1210715616.db2.gz AWCNLJICRQWZMU-GNZRSQJKSA-N 0 3 352.438 0.827 20 30 FCEDHN N#C[C@H]1CNCC12CC(C(=O)NCc1ccc(CN3CCNC3=O)cc1)C2 ZINC000884470875 1210736161 /nfs/dbraw/zinc/73/61/61/1210736161.db2.gz DPYVBHJSBAPRGN-GNZRSQJKSA-N 0 3 367.453 0.967 20 30 FCEDHN C#CCN(C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)C1CCN(C)CC1 ZINC000886583311 1210833187 /nfs/dbraw/zinc/83/31/87/1210833187.db2.gz LAVROYAROYBBKO-MRXNPFEDSA-N 0 3 354.454 0.986 20 30 FCEDHN CN1CCC(NC(=O)c2cn3c(n2)CN(C(=O)CCCC#N)CC3)CC1 ZINC001274147608 1210895191 /nfs/dbraw/zinc/89/51/91/1210895191.db2.gz WAZKXKGWYKVHOE-UHFFFAOYSA-N 0 3 358.446 0.743 20 30 FCEDHN C#CCN(CC(=O)N1CC[C@H]2[C@H]1CCCN2CCO)C(=O)OC(C)(C)C ZINC000889742728 1210946374 /nfs/dbraw/zinc/94/63/74/1210946374.db2.gz BCJDWOJIMHQAIJ-JKSUJKDBSA-N 0 3 365.474 0.914 20 30 FCEDHN CN(C)CCN1C(=O)COCC12CN(C(=O)c1ccc(C#N)cc1F)C2 ZINC001274592656 1211087207 /nfs/dbraw/zinc/08/72/07/1211087207.db2.gz UBJNYUKRDCZUFH-UHFFFAOYSA-N 0 3 360.389 0.312 20 30 FCEDHN Cn1cc(CN2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2C[C@H](O)CN2C)cc1C#N ZINC001274907165 1211141572 /nfs/dbraw/zinc/14/15/72/1211141572.db2.gz BDUQFUYGAAELRI-XSLAGTTESA-N 0 3 357.458 0.137 20 30 FCEDHN CC(C)[C@H](C(=O)N1CC2(C1)CN(C(=O)C1(C#N)CCOCC1)C2)N(C)C ZINC001275223127 1211198957 /nfs/dbraw/zinc/19/89/57/1211198957.db2.gz ZTQKMYMPWKXWBY-OAHLLOKOSA-N 0 3 362.474 0.564 20 30 FCEDHN CC(C)[C@H](C(=O)N1C[C@@H]2C(C(=O)N3CC(CC#N)C3)=NO[C@@H]2C1)N(C)C ZINC001276053098 1211341140 /nfs/dbraw/zinc/34/11/40/1211341140.db2.gz IRWSKZCJJJERPY-SQWLQELKSA-N 0 3 361.446 0.158 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)c3cnn(C)c3C)C[C@H]2C)CC1 ZINC000947545925 1212043347 /nfs/dbraw/zinc/04/33/47/1212043347.db2.gz VRJGBPKNHSJRNL-RDTXWAMCSA-N 0 3 371.485 0.650 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)Cc3ccc[nH]3)C[C@H]2C)CC1 ZINC000949583562 1212417365 /nfs/dbraw/zinc/41/73/65/1212417365.db2.gz VAYDGXKXRMHBRG-CRAIPNDOSA-N 0 3 356.470 0.866 20 30 FCEDHN COCC#CCN1CC[C@@H]2CN(C(=O)c3cc([C@H]4CCCN4C)n[nH]3)[C@@H]2C1 ZINC001221563557 1225370200 /nfs/dbraw/zinc/37/02/00/1225370200.db2.gz WRAIYEIEOULEEX-ATZDWAIDSA-N 0 3 371.485 0.973 20 30 FCEDHN C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)Cn3ccnc3)C2)CC1 ZINC000949862102 1212474214 /nfs/dbraw/zinc/47/42/14/1212474214.db2.gz JLGZBIGINUAUJZ-NVXWUHKLSA-N 0 3 357.458 0.191 20 30 FCEDHN C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)Cc3cc(C)[nH]n3)C2)CC1 ZINC000949864806 1212475266 /nfs/dbraw/zinc/47/52/66/1212475266.db2.gz KPYUSFTXAVXKLG-RDTXWAMCSA-N 0 3 371.485 0.569 20 30 FCEDHN C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)Cc3cc(C)n[nH]3)C2)CC1 ZINC000949864806 1212475270 /nfs/dbraw/zinc/47/52/70/1212475270.db2.gz KPYUSFTXAVXKLG-RDTXWAMCSA-N 0 3 371.485 0.569 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2CN(C(=O)[C@H](C)OC)C3)CC1 ZINC001007572656 1212527311 /nfs/dbraw/zinc/52/73/11/1212527311.db2.gz WSIHMQOCTNBVIS-KNBMTAEXSA-N 0 3 361.486 0.864 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@]2(C)CCN(C(=O)[C@]34C[C@H]3COC4)C2)CC1 ZINC000957069914 1213243573 /nfs/dbraw/zinc/24/35/73/1213243573.db2.gz JGGKVRRMKUJICG-VDGAXYAQSA-N 0 3 359.470 0.475 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)Cc3cnoc3)C[C@H]2C)CC1 ZINC000957968461 1213371550 /nfs/dbraw/zinc/37/15/50/1213371550.db2.gz JKPOUCLCDNSLHE-RHSMWYFYSA-N 0 3 358.442 0.525 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@]3(F)CCOC3)C[C@H]2C)CC1 ZINC000958012540 1213375191 /nfs/dbraw/zinc/37/51/91/1213375191.db2.gz UHCXDWUIDLJIHG-OGWOLHLISA-N 0 3 365.449 0.423 20 30 FCEDHN COCC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701542 1225448319 /nfs/dbraw/zinc/44/83/19/1225448319.db2.gz SYBMHJFQJPOTIL-SYJBPTKTSA-N 0 3 359.470 0.032 20 30 FCEDHN C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C)nn1 ZINC000959655183 1213486175 /nfs/dbraw/zinc/48/61/75/1213486175.db2.gz SDFFRDLQHZWIID-RBSFLKMASA-N 0 3 360.462 0.383 20 30 FCEDHN CN(CC(=O)N1C[C@H]2OCCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C1)C1CCC1 ZINC000960195613 1213659335 /nfs/dbraw/zinc/65/93/35/1213659335.db2.gz IVJQQFWWKQJEPD-DLBZAZTESA-N 0 3 371.441 0.422 20 30 FCEDHN C[C@@H]1CCN(CC(=O)N2C[C@H]3OCCN(C(=O)c4ccc(C#N)[nH]4)[C@H]3C2)C1 ZINC000960266347 1213686277 /nfs/dbraw/zinc/68/62/77/1213686277.db2.gz HSZUDFQYOIQMPK-XOKHGSTOSA-N 0 3 371.441 0.280 20 30 FCEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)[C@H]3CCc4nnn(C)c4C3)[C@@H]2C1 ZINC001221766985 1225473508 /nfs/dbraw/zinc/47/35/08/1225473508.db2.gz KCMNIVYQGJSYRV-HDMKZQKVSA-N 0 3 359.474 0.655 20 30 FCEDHN C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(Cc4cccc(C#N)c4)C[C@H]32)O1 ZINC000960528973 1213805170 /nfs/dbraw/zinc/80/51/70/1213805170.db2.gz SJGHRFUSKCUTCH-SFKBXODTSA-N 0 3 354.454 0.824 20 30 FCEDHN C[C@H](C#N)C(=O)N1CCO[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 ZINC000960874698 1213986069 /nfs/dbraw/zinc/98/60/69/1213986069.db2.gz MEPGUQUTSLYGEI-FHLIZLRMSA-N 0 3 370.453 0.960 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001019457183 1214252193 /nfs/dbraw/zinc/25/21/93/1214252193.db2.gz JJVBJLDWVDUSIE-IKGGRYGDSA-N 0 3 361.486 0.979 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)C(C)(C)N(C)CC)C1 ZINC001040183184 1214473325 /nfs/dbraw/zinc/47/33/25/1214473325.db2.gz XSEREJZRYVJXEU-ZRGWGRIASA-N 0 3 367.490 0.387 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@](O)(CNC(=O)CN(C)CCC)C1 ZINC001040450699 1214510836 /nfs/dbraw/zinc/51/08/36/1214510836.db2.gz RZICICTYFSOPEE-IEZWGBDMSA-N 0 3 367.490 0.389 20 30 FCEDHN CC(C)N1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](O)C1 ZINC000962393118 1214553369 /nfs/dbraw/zinc/55/33/69/1214553369.db2.gz POYAKCHUDJXRNO-PMPSAXMXSA-N 0 3 359.430 0.061 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(c3nc4ccccc4o3)C[C@H]2O)CC1 ZINC001041060378 1214682383 /nfs/dbraw/zinc/68/23/83/1214682383.db2.gz BIDBNDMCCUOBHB-IAGOWNOFSA-N 0 3 368.437 0.839 20 30 FCEDHN CN(C)Cc1ccccc1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@H]1O ZINC001041067147 1214686608 /nfs/dbraw/zinc/68/66/08/1214686608.db2.gz ZJUSTOHGSYCGGT-IAGOWNOFSA-N 0 3 366.425 0.389 20 30 FCEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)CN3C(=O)NC(C)(C)C3=O)[C@@H]2C1 ZINC001221993361 1225566570 /nfs/dbraw/zinc/56/65/70/1225566570.db2.gz CILHCXAOYZXIAL-ZIAGYGMSSA-N 0 3 364.446 0.052 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)C3(C4CC4)CC3)C[C@@H]2O)CC1 ZINC000966003967 1215159631 /nfs/dbraw/zinc/15/96/31/1215159631.db2.gz BSWQTSMXQFNITN-SJORKVTESA-N 0 3 359.470 0.210 20 30 FCEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nnc(C)n4C3)[C@@H]2C1 ZINC001222039953 1225586582 /nfs/dbraw/zinc/58/65/82/1225586582.db2.gz HAEOKXLPHAHUPD-BRWVUGGUSA-N 0 3 359.474 0.884 20 30 FCEDHN C=CCOCCN1CC[C@@H]2CN(C(=O)CCNC(=O)[C@@H]3CCCO3)[C@@H]2C1 ZINC001222124748 1225603162 /nfs/dbraw/zinc/60/31/62/1225603162.db2.gz RVGJLZNMLYAZDH-ZACQAIPSSA-N 0 3 365.474 0.407 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(CO)CCCN(C(=O)CN(CC)CC)C1 ZINC001056134660 1215954454 /nfs/dbraw/zinc/95/44/54/1215954454.db2.gz QIGNRVOWAHRUMF-GJYPPUQNSA-N 0 3 367.490 0.389 20 30 FCEDHN C#CCN1CCC(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3c3cncn3C)C2)CC1 ZINC001000004128 1215987894 /nfs/dbraw/zinc/98/78/94/1215987894.db2.gz FOKBZJRYVHFKGS-IAGOWNOFSA-N 0 3 369.469 0.196 20 30 FCEDHN C#CCOCCC(=O)N1CC[C@H]2CCN(CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001222661781 1225642226 /nfs/dbraw/zinc/64/22/26/1225642226.db2.gz QLTOBOUTVVMVLO-CVEARBPZSA-N 0 3 361.442 0.098 20 30 FCEDHN C=CCNC(=O)CN1CC[C@@H]2CCN(C(=O)c3cccc4n[nH]nc43)C[C@@H]21 ZINC001222736199 1225649575 /nfs/dbraw/zinc/64/95/75/1225649575.db2.gz NGGBTGABIWCDSA-CJNGLKHVSA-N 0 3 368.441 0.797 20 30 FCEDHN C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C[C@@H]21 ZINC001222920985 1225667449 /nfs/dbraw/zinc/66/74/49/1225667449.db2.gz AZNYYNVFUJZVMN-ANQUJSFKSA-N 0 3 355.442 0.185 20 30 FCEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H](CC)N(C)C ZINC001057975494 1216619653 /nfs/dbraw/zinc/61/96/53/1216619653.db2.gz UKJLDTVSDWXIRU-BBWFWOEESA-N 0 3 369.506 0.635 20 30 FCEDHN N#Cc1cc(C(=O)N[C@@H]2CN(CC[C@@H]3CCCO3)C[C@@H]2n2ccnn2)c[nH]1 ZINC001069911614 1216839171 /nfs/dbraw/zinc/83/91/71/1216839171.db2.gz ASVKBCHVPAMOKW-BBWFWOEESA-N 0 3 369.429 0.702 20 30 FCEDHN C#CCCN1C[C@@H](NC(=O)[C@H]2CCc3nc(C)[nH]c3C2)[C@@H](n2ccnn2)C1 ZINC001069964181 1216871337 /nfs/dbraw/zinc/87/13/37/1216871337.db2.gz ZFQYOWPTMSGEAZ-QGTPRVQTSA-N 0 3 367.457 0.480 20 30 FCEDHN C#CCCN1C[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)nc3C2)[C@@H](n2ccnn2)C1 ZINC001069964181 1216871339 /nfs/dbraw/zinc/87/13/39/1216871339.db2.gz ZFQYOWPTMSGEAZ-QGTPRVQTSA-N 0 3 367.457 0.480 20 30 FCEDHN CC#CCN1C[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069988231 1216885620 /nfs/dbraw/zinc/88/56/20/1216885620.db2.gz NPNZUHHCJYRLDI-SQNIBIBYSA-N 0 3 356.474 0.517 20 30 FCEDHN CC#CCN1C[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)[C@@H](n2ccnn2)C1 ZINC001070045821 1216920706 /nfs/dbraw/zinc/92/07/06/1216920706.db2.gz WHQBFVLHJVDAQX-KURKYZTESA-N 0 3 358.490 0.907 20 30 FCEDHN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H](C3CC3)N3CCCC3)C2)c(C#N)cn1 ZINC001041261955 1217260718 /nfs/dbraw/zinc/26/07/18/1217260718.db2.gz XVLRKPJPCQLNIY-QRQLOZEOSA-N 0 3 369.469 0.802 20 30 FCEDHN Cc1cc(C#N)nc(N2C[C@@H](O)[C@H](NC(=O)C(C)(C)N3CCCC3)C2)n1 ZINC001041287082 1217268037 /nfs/dbraw/zinc/26/80/37/1217268037.db2.gz OFFYRRCHBJDHME-HUUCEWRRSA-N 0 3 358.446 0.197 20 30 FCEDHN CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O ZINC001041429844 1217328303 /nfs/dbraw/zinc/32/83/03/1217328303.db2.gz NWADBFIOBDWMSK-IXDOHACOSA-N 0 3 357.458 0.739 20 30 FCEDHN CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O ZINC001041430724 1217329434 /nfs/dbraw/zinc/32/94/34/1217329434.db2.gz XLWGKFZRQKYMKZ-OWCLPIDISA-N 0 3 358.446 0.134 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CCN(CCN3CCNC3=O)C2)C1 ZINC001041695747 1217355042 /nfs/dbraw/zinc/35/50/42/1217355042.db2.gz GLWPOGXLOAWKHD-JTDSTZFVSA-N 0 3 362.474 0.527 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(c3ccc(C#N)cn3)C[C@H]2OC)CC1 ZINC001042838912 1217479103 /nfs/dbraw/zinc/47/91/03/1217479103.db2.gz AXGMHOYLPGTCQZ-QZTJIDSGSA-N 0 3 367.453 0.618 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@H]2OC)CC1 ZINC001042843265 1217480625 /nfs/dbraw/zinc/48/06/25/1217480625.db2.gz LNBPTYXSIMUFJG-IAGOWNOFSA-N 0 3 368.441 0.013 20 30 FCEDHN CO[C@@H]1CN(c2nc(C)ccc2C#N)C[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001042869647 1217490684 /nfs/dbraw/zinc/49/06/84/1217490684.db2.gz WZUBTNPJURJEOX-HZPDHXFCSA-N 0 3 354.414 0.856 20 30 FCEDHN CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001042932685 1217521499 /nfs/dbraw/zinc/52/14/99/1217521499.db2.gz VFDHXXVQTMBWKP-BRWVUGGUSA-N 0 3 370.457 0.542 20 30 FCEDHN CO[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001042943140 1217524478 /nfs/dbraw/zinc/52/44/78/1217524478.db2.gz JRLTUHNHOMTZTN-ZIAGYGMSSA-N 0 3 358.446 0.542 20 30 FCEDHN C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1Nc1nccnc1C#N ZINC001043639533 1217686894 /nfs/dbraw/zinc/68/68/94/1217686894.db2.gz HTWHFRGHDHVGIW-DBFSDKRGSA-N 0 3 368.441 0.470 20 30 FCEDHN C[C@@H]1CCCN1CC(=O)N1CCO[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 ZINC001043790724 1217744160 /nfs/dbraw/zinc/74/41/60/1217744160.db2.gz HTLDOGXALPJULO-VNQPRFMTSA-N 0 3 356.430 0.249 20 30 FCEDHN C#CCN1CCC(C(=O)N2CC[C@H]3CCN(CC(=O)NCC)[C@H]3C2)CC1 ZINC001224222759 1225765875 /nfs/dbraw/zinc/76/58/75/1225765875.db2.gz ZAYGBFFWYKVLKX-AEFFLSMTSA-N 0 3 360.502 0.391 20 30 FCEDHN Cc1ccc(C#N)c(N2C[C@@H](NC(=O)[C@@H]3CCCN3C(C)C)[C@@H](O)C2)n1 ZINC001044190479 1217814809 /nfs/dbraw/zinc/81/48/09/1217814809.db2.gz BBAZPBPFROEZMQ-IKGGRYGDSA-N 0 3 357.458 0.800 20 30 FCEDHN C[C@H](C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1O)N1CCCCCC1 ZINC001044198024 1217816608 /nfs/dbraw/zinc/81/66/08/1217816608.db2.gz GAESDCAXFVKYOH-BMFZPTHFSA-N 0 3 358.446 0.278 20 30 FCEDHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(c2nc(C)ccc2C#N)C[C@@H]1O ZINC001044703195 1217871969 /nfs/dbraw/zinc/87/19/69/1217871969.db2.gz GOKQECZKXWCQLX-ZACQAIPSSA-N 0 3 357.458 0.802 20 30 FCEDHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@@H]1O ZINC001044704548 1217872664 /nfs/dbraw/zinc/87/26/64/1217872664.db2.gz ZHGIFJHKVSLOJO-OAGGEKHMSA-N 0 3 358.446 0.197 20 30 FCEDHN CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1O ZINC001044779244 1217879892 /nfs/dbraw/zinc/87/98/92/1217879892.db2.gz XLWGKFZRQKYMKZ-PMPSAXMXSA-N 0 3 358.446 0.134 20 30 FCEDHN C#CCN1CCC2(CO[C@H](CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)CC1 ZINC001045673552 1217947068 /nfs/dbraw/zinc/94/70/68/1217947068.db2.gz DXRORRLKUOPHSN-XLAORIBOSA-N 0 3 362.470 0.658 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001046824510 1218080440 /nfs/dbraw/zinc/08/04/40/1218080440.db2.gz WBPUKRGHMGZMLB-OAGGEKHMSA-N 0 3 365.474 0.140 20 30 FCEDHN CCO[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1CNc1ccncc1C#N ZINC001047894943 1218196419 /nfs/dbraw/zinc/19/64/19/1218196419.db2.gz FSFVPGAXXYYNSW-BHIYHBOVSA-N 0 3 371.485 0.991 20 30 FCEDHN C=CCOCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NCCCC ZINC001225355971 1225808042 /nfs/dbraw/zinc/80/80/42/1225808042.db2.gz OBOHFUQWFQRXGM-HUUCEWRRSA-N 0 3 368.478 0.832 20 30 FCEDHN C#CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCc1cccnc1OC ZINC001225779255 1225823497 /nfs/dbraw/zinc/82/34/97/1225823497.db2.gz LVRTUVNMCLSJOZ-HZPDHXFCSA-N 0 3 358.442 0.747 20 30 FCEDHN C[C@H]1CCN(CC(=O)N2C[C@H]3CCN(c4cnc(C#N)cn4)C[C@H]3C2)C1 ZINC001049684213 1218519770 /nfs/dbraw/zinc/51/97/70/1218519770.db2.gz AAFUGBDPHARKCE-XHSDSOJGSA-N 0 3 354.458 0.975 20 30 FCEDHN C#CCOCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCc1ccco1 ZINC001226178006 1225834986 /nfs/dbraw/zinc/83/49/86/1225834986.db2.gz BQIIQYVIRWCLOP-IAGOWNOFSA-N 0 3 361.442 0.953 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnn(C2CCC2)c1 ZINC001226251281 1225837833 /nfs/dbraw/zinc/83/78/33/1225837833.db2.gz ORXXCIIGBGQJMI-HZPDHXFCSA-N 0 3 358.446 0.878 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccnn1CC(F)F ZINC001226267822 1225838272 /nfs/dbraw/zinc/83/82/72/1225838272.db2.gz QECISLGGLFGKGT-CHWSQXEVSA-N 0 3 367.400 0.528 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001226267882 1225838460 /nfs/dbraw/zinc/83/84/60/1225838460.db2.gz RYPTZIFMHCTQLX-DAXOMENPSA-N 0 3 358.446 0.486 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cncc2[nH]cnc21 ZINC001226341526 1225840763 /nfs/dbraw/zinc/84/07/63/1225840763.db2.gz MBDDHNWQCGYCEI-CHWSQXEVSA-N 0 3 355.402 0.228 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCCC)CC1 ZINC001111455239 1218847304 /nfs/dbraw/zinc/84/73/04/1218847304.db2.gz TZWCCVHHXLZZML-KURKYZTESA-N 0 3 360.502 0.579 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn(C(C)(C)C)nn1 ZINC001226666976 1225850946 /nfs/dbraw/zinc/85/09/46/1225850946.db2.gz ZKMORNBSIQIDLS-ZIAGYGMSSA-N 0 3 360.462 0.413 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(CCN2C(=O)CNC2=O)CC1 ZINC001052722260 1218860394 /nfs/dbraw/zinc/86/03/94/1218860394.db2.gz KKGDLDIFZMNFOV-KFWWJZLASA-N 0 3 364.446 0.100 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(CCN2C(=O)CNC2=O)CC1 ZINC001052722263 1218860504 /nfs/dbraw/zinc/86/05/04/1218860504.db2.gz KKGDLDIFZMNFOV-ZNMIVQPWSA-N 0 3 364.446 0.100 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc2cc[nH]c2n1 ZINC001226921517 1225858094 /nfs/dbraw/zinc/85/80/94/1225858094.db2.gz GPBAJOITHJPBJY-HUUCEWRRSA-N 0 3 353.426 0.943 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2ccnc2C1 ZINC001227174747 1225865189 /nfs/dbraw/zinc/86/51/89/1225865189.db2.gz ACSGLDGLAABSSV-BZUAXINKSA-N 0 3 359.474 0.765 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2ccnc2C1 ZINC001227165289 1225865244 /nfs/dbraw/zinc/86/52/44/1225865244.db2.gz LOYMXHHHAZIPLG-ARFHVFGLSA-N 0 3 357.458 0.212 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc2nnc(C)n2c1 ZINC001227212478 1225866267 /nfs/dbraw/zinc/86/62/67/1225866267.db2.gz QYLKOILDDMSDPZ-HZPDHXFCSA-N 0 3 368.441 0.418 20 30 FCEDHN CC(C)C#CC(=O)NCCN1CCC(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001055573055 1219083138 /nfs/dbraw/zinc/08/31/38/1219083138.db2.gz OPGSMYBWPQUGGS-IAGOWNOFSA-N 0 3 371.485 0.869 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2cncc2C1 ZINC001227127805 1225864295 /nfs/dbraw/zinc/86/42/95/1225864295.db2.gz MFUCAEVEMJZWNK-DJIMGWMZSA-N 0 3 357.458 0.212 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCOC[C@H]1CCCO1 ZINC001227249125 1225868321 /nfs/dbraw/zinc/86/83/21/1225868321.db2.gz JXSCPZKTOXYLSV-BRWVUGGUSA-N 0 3 367.490 0.891 20 30 FCEDHN C=CCN1C[C@@H](NC(=O)c2[nH]nc3c2C[C@H](C)CC3)[C@@H](n2ccnn2)C1 ZINC001070067839 1219130616 /nfs/dbraw/zinc/13/06/16/1219130616.db2.gz QUOMALULQWEASQ-WQVCFCJDSA-N 0 3 355.446 0.967 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn2cccnc2n1 ZINC001227276327 1225869788 /nfs/dbraw/zinc/86/97/88/1225869788.db2.gz UQZVWJRMVOFOAR-ZIAGYGMSSA-N 0 3 356.430 0.662 20 30 FCEDHN CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 ZINC001070073317 1219139872 /nfs/dbraw/zinc/13/98/72/1219139872.db2.gz FQIJSQZYSYFCIA-ZACQAIPSSA-N 0 3 359.478 0.798 20 30 FCEDHN C#CCCN1C[C@@H](NC(=O)c2cnccc2N(C)C)[C@@H](n2ccnn2)C1 ZINC001070077335 1219146012 /nfs/dbraw/zinc/14/60/12/1219146012.db2.gz AJZBVBINBBJCAS-WBVHZDCISA-N 0 3 353.430 0.418 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1Cc2ccccc2O1 ZINC001227363470 1225871294 /nfs/dbraw/zinc/87/12/94/1225871294.db2.gz ZEMCHIKKXMPICG-NUJGCVRESA-N 0 3 355.438 0.757 20 30 FCEDHN Cc1nc(C)c(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)nc1C ZINC001227397380 1225872892 /nfs/dbraw/zinc/87/28/92/1225872892.db2.gz LQUAYDUSIIXQKH-HUUCEWRRSA-N 0 3 358.446 0.672 20 30 FCEDHN N#Cc1ccc(CN[C@@H]2CN(C(=O)c3ccn[nH]3)C[C@@H]2n2ccnn2)cc1 ZINC001070146823 1219227370 /nfs/dbraw/zinc/22/73/70/1219227370.db2.gz HOHMCCYAECBHKB-SJORKVTESA-N 0 3 362.397 0.728 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnc2c(c1)nnn2C ZINC001227575624 1225879352 /nfs/dbraw/zinc/87/93/52/1225879352.db2.gz PBEPJLKMILXGCG-ZIAGYGMSSA-N 0 3 371.445 0.296 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cn([C@H]3CCOC3)nc2C)C[C@@H]1n1ccnn1 ZINC001070194947 1219287238 /nfs/dbraw/zinc/28/72/38/1219287238.db2.gz VZQAZVSDQPYTIM-UAGQMJEPSA-N 0 3 371.445 0.586 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)c2cn(C)c(C)cc2=O)C[C@@H]1n1ccnn1 ZINC001070213837 1219296850 /nfs/dbraw/zinc/29/68/50/1219296850.db2.gz YBMBBMIPDCKTDM-CVEARBPZSA-N 0 3 356.430 0.517 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCc1ccnc(C)n1 ZINC001227694487 1225882124 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C#CCNC(=O)CN[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccsc2)C[C@H]1C ZINC001216124728 1224035668 /nfs/dbraw/zinc/03/56/68/1224035668.db2.gz DFMDNSXHBZAARW-IUODEOHRSA-N 0 3 371.466 0.938 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2nc3ccccn3c2F)C[C@H]1C ZINC001216205184 1224038516 /nfs/dbraw/zinc/03/85/16/1224038516.db2.gz NPHVPZYFEBEELD-MGPQQGTHSA-N 0 3 371.416 0.661 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(-c3nc[nH]n3)cc2)C[C@H]1C ZINC001216190212 1224038650 /nfs/dbraw/zinc/03/86/50/1224038650.db2.gz PRDLMOUOQOGSLD-CZUORRHYSA-N 0 3 366.425 0.271 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc3ccn(C)c3c2)C[C@H]1C ZINC001216205206 1224038699 /nfs/dbraw/zinc/03/86/99/1224038699.db2.gz OEWCXBBORYXXRF-RHSMWYFYSA-N 0 3 352.438 0.978 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(-c3nc[nH]n3)cc2)C[C@H]1C ZINC001216190146 1224038778 /nfs/dbraw/zinc/03/87/78/1224038778.db2.gz MDYVUIFRUSCELD-CZUORRHYSA-N 0 3 368.441 0.824 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2nc3ccccn3c2F)C[C@H]1C ZINC001216205369 1224039303 /nfs/dbraw/zinc/03/93/03/1224039303.db2.gz PWXNEDWWVHHMQX-CHWSQXEVSA-N 0 3 357.389 0.273 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@H](C)CCCOC)C[C@H]1C ZINC001216266357 1224041261 /nfs/dbraw/zinc/04/12/61/1224041261.db2.gz RTLJTJKVYWEJKZ-RBSFLKMASA-N 0 3 368.478 0.497 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cnn(CC)c2C2CC2)C[C@H]1C ZINC001216310020 1224043391 /nfs/dbraw/zinc/04/33/91/1224043391.db2.gz KEFIIQGQQJSICD-CZUORRHYSA-N 0 3 357.458 0.580 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccc(N(C)C)nn2)C[C@H]1C ZINC001216421244 1224049443 /nfs/dbraw/zinc/04/94/43/1224049443.db2.gz BWPBNDBOYSILLD-VNHYZAJKSA-N 0 3 360.462 0.283 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)Cc2c(C)nn(CC)c2C)C[C@H]1C ZINC001216428984 1224050224 /nfs/dbraw/zinc/05/02/24/1224050224.db2.gz PPFDKFCTKBCDPF-CXAGYDPISA-N 0 3 359.474 0.248 20 30 FCEDHN C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C2CC2)C1 ZINC001216439156 1224051082 /nfs/dbraw/zinc/05/10/82/1224051082.db2.gz LOTAPNJDOLOHCN-RHSMWYFYSA-N 0 3 370.453 0.765 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2n[nH]c(=O)c3ccccc32)C[C@H]1C ZINC001216494146 1224053536 /nfs/dbraw/zinc/05/35/36/1224053536.db2.gz IXEXDMLADLWGPK-IUODEOHRSA-N 0 3 369.425 0.688 20 30 FCEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)Cc2[nH]cnc2C)C[C@H]1C ZINC001216569419 1224055578 /nfs/dbraw/zinc/05/55/78/1224055578.db2.gz ISDNVIYQABWRCI-RHSMWYFYSA-N 0 3 359.474 0.898 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2ccccc2C#C)C[C@H]1C ZINC001216561200 1224055761 /nfs/dbraw/zinc/05/57/61/1224055761.db2.gz RBUZWQHSCCGJQZ-GPMSIDNRSA-N 0 3 351.450 0.785 20 30 FCEDHN C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(=O)NC)C1 ZINC001216561195 1224055817 /nfs/dbraw/zinc/05/58/17/1224055817.db2.gz QSVYMQPKMOQXHW-CKEIUWERSA-N 0 3 370.453 0.491 20 30 FCEDHN C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001216560927 1224055904 /nfs/dbraw/zinc/05/59/04/1224055904.db2.gz OQDRJSLTBQSMRH-XJKCOSOUSA-N 0 3 356.426 0.230 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc3nnn(C)c3c2)C[C@H]1C ZINC001216581187 1224056906 /nfs/dbraw/zinc/05/69/06/1224056906.db2.gz XIXRRSMUAAKXTK-IUODEOHRSA-N 0 3 356.430 0.321 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cnn3c2C[C@@H](C)CC3)C[C@H]1C ZINC001216597487 1224057548 /nfs/dbraw/zinc/05/75/48/1224057548.db2.gz HEUBPZADXZJBBF-SQWLQELKSA-N 0 3 357.458 0.265 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2COc3ccccc3O2)C[C@H]1C ZINC001216659728 1224060261 /nfs/dbraw/zinc/06/02/61/1224060261.db2.gz MPRMKWNASCMBJV-CPUCHLNUSA-N 0 3 359.426 0.565 20 30 FCEDHN CCOc1ccc(CC(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)cc1 ZINC001216682710 1224061074 /nfs/dbraw/zinc/06/10/74/1224061074.db2.gz FMSUGBOSQJBFCH-RHSMWYFYSA-N 0 3 358.442 0.704 20 30 FCEDHN Cc1cccc(C)c1OCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1 ZINC001216704245 1224062752 /nfs/dbraw/zinc/06/27/52/1224062752.db2.gz JQZIFSMICSZIRX-HZPDHXFCSA-N 0 3 358.442 0.759 20 30 FCEDHN C[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCC3)C[C@H]1NCC(=O)NCC#N ZINC001216732996 1224065677 /nfs/dbraw/zinc/06/56/77/1224065677.db2.gz DOTYAQLNVCBNLX-RDTXWAMCSA-N 0 3 354.454 0.794 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc3c(c2)OCCO3)C[C@H]1C ZINC001216735622 1224066249 /nfs/dbraw/zinc/06/62/49/1224066249.db2.gz YQSOCBSIZDICRY-UKRRQHHQSA-N 0 3 357.410 0.257 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)COCc2ccccc2)C[C@H]1C ZINC001216738757 1224066916 /nfs/dbraw/zinc/06/69/16/1224066916.db2.gz XBCBCFWRBHHGEM-SOLBZPMBSA-N 0 3 357.454 0.778 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@H]1C ZINC001216804533 1224074330 /nfs/dbraw/zinc/07/43/30/1224074330.db2.gz HDSBNXHGNQVDBL-UMVBOHGHSA-N 0 3 361.446 0.394 20 30 FCEDHN C=CCCOCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NCC(C)C)C1 ZINC001216935690 1224081900 /nfs/dbraw/zinc/08/19/00/1224081900.db2.gz CRKBMJOIPFIJGL-HUUCEWRRSA-N 0 3 368.478 0.497 20 30 FCEDHN C[C@@H]1CN(C(=O)C[C@H]2c3ccccc3NC2=O)C[C@H]1NCC(=O)NCC#N ZINC001216964523 1224082329 /nfs/dbraw/zinc/08/23/29/1224082329.db2.gz CTLNOELRDLVOEF-IVMMDQJWSA-N 0 3 369.425 0.189 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cc(N(C)C)ccn2)C[C@H]1C ZINC001216959110 1224082360 /nfs/dbraw/zinc/08/23/60/1224082360.db2.gz FZTNXVHPSFMVMV-JKIFEVAISA-N 0 3 357.458 0.336 20 30 FCEDHN C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3c2CCCC3)C[C@H]1NCC(=O)NCC#N ZINC001217099406 1224088851 /nfs/dbraw/zinc/08/88/51/1224088851.db2.gz ITOIDEUUDSXBGG-MLGOLLRUSA-N 0 3 371.441 0.356 20 30 FCEDHN C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)CN3CC[C@H](C)C3)[C@@H]2C)nn1 ZINC000988063001 1249322032 /nfs/dbraw/zinc/32/20/32/1249322032.db2.gz DNLAKWYUGWZCHR-ZNMIVQPWSA-N 0 3 360.462 0.525 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(C)=O)C[C@H]2c2cncn2C)CC1 ZINC000993573323 1249716353 /nfs/dbraw/zinc/71/63/53/1249716353.db2.gz SZJXZZXMJZENTN-IAGOWNOFSA-N 0 3 357.458 0.196 20 30 FCEDHN C#CCN1CCC(C(=O)N2C[C@@H](c3cncn3C)[C@H](NC(=O)CC)C2)CC1 ZINC000993611541 1249810762 /nfs/dbraw/zinc/81/07/62/1249810762.db2.gz KFYNQPYYQRXHIV-IAGOWNOFSA-N 0 3 371.485 0.586 20 30 FCEDHN COCCCNC(=O)C(C#N)C(=O)COc1ccc2c(c1)CCC(=O)N2 ZINC000916870132 1245541593 /nfs/dbraw/zinc/54/15/93/1245541593.db2.gz GCGLGEKYIYXELK-CQSZACIVSA-N 0 3 359.382 0.812 20 30 FCEDHN C#CCN1CCC(C(=O)NC[C@@H]2CN(C(=O)c3cocn3)C[C@H]2C)CC1 ZINC000994136577 1250213792 /nfs/dbraw/zinc/21/37/92/1250213792.db2.gz MMSDJLJJRVGPON-GDBMZVCRSA-N 0 3 358.442 0.844 20 30 FCEDHN C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C)c1 ZINC000940010995 1246204221 /nfs/dbraw/zinc/20/42/21/1246204221.db2.gz MRZIZWWCTFYVLN-IIDMSEBBSA-N 0 3 354.454 0.981 20 30 FCEDHN CO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)Cc1nc[nH]c1C ZINC000944221999 1247502669 /nfs/dbraw/zinc/50/26/69/1247502669.db2.gz CGGQFOOMVDQYJX-HUUCEWRRSA-N 0 3 356.386 0.116 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)Cc3nc[nH]c3C)[C@H](OC)C2)cn1 ZINC000944222669 1247504759 /nfs/dbraw/zinc/50/47/59/1247504759.db2.gz NEWCZJLDFQWGQP-IAGOWNOFSA-N 0 3 367.409 0.293 20 30 FCEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2OC)cc1 ZINC000944337358 1247533907 /nfs/dbraw/zinc/53/39/07/1247533907.db2.gz PXUXRFWVCOXRPZ-FGTMMUONSA-N 0 3 357.454 0.964 20 30 FCEDHN C#CCN(CC)c1nnc(C2CCN(CCO)CC2)n1C[C@H]1CCOC1 ZINC001515972839 1265532065 /nfs/dbraw/zinc/53/20/65/1265532065.db2.gz WQNYJMKFEUJXOX-MRXNPFEDSA-N 0 3 361.490 0.946 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2nc(C)c[nH]2)CC1 ZINC000997357812 1251560056 /nfs/dbraw/zinc/56/00/56/1251560056.db2.gz PYTICZKQIKYZRS-IKGGRYGDSA-N 0 3 369.469 0.925 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(N(C)C)CCC1 ZINC000997769882 1251696989 /nfs/dbraw/zinc/69/69/89/1251696989.db2.gz QJXXLCWPHZQJHU-OWSLCNJRSA-N 0 3 372.513 0.816 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1c[nH]cn1 ZINC000997769913 1251697278 /nfs/dbraw/zinc/69/72/78/1251697278.db2.gz RFJXCAJNWPAWGO-QZWWFDLISA-N 0 3 355.442 0.298 20 30 FCEDHN CC#CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)nn2)C1 ZINC000999996502 1252267185 /nfs/dbraw/zinc/26/71/85/1252267185.db2.gz JRDFTVLQQDDYNZ-BZUAXINKSA-N 0 3 353.430 0.691 20 30 FCEDHN CC#CCN1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)nn2)C1 ZINC000999996502 1252267194 /nfs/dbraw/zinc/26/71/94/1252267194.db2.gz JRDFTVLQQDDYNZ-BZUAXINKSA-N 0 3 353.430 0.691 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2cnoc2)CC1 ZINC001003362582 1252874136 /nfs/dbraw/zinc/87/41/36/1252874136.db2.gz BMBRHCYGFGWJJQ-KURKYZTESA-N 0 3 370.453 0.810 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cn[nH]n2)CC1 ZINC001003363788 1252874581 /nfs/dbraw/zinc/87/45/81/1252874581.db2.gz UYSBUDKNDUMOJQ-FMKPAKJESA-N 0 3 356.430 0.012 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(CCCN2C(=O)CNC2=O)CC1 ZINC001003653305 1253034225 /nfs/dbraw/zinc/03/42/25/1253034225.db2.gz WLTFIFPHDKDGCH-CABCVRRESA-N 0 3 364.446 0.100 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(C[C@H](O)CN2CCCC2=O)CC1 ZINC001003653251 1253034695 /nfs/dbraw/zinc/03/46/95/1253034695.db2.gz 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374.489 0.530 20 30 FCEDHN C#CCN(C(=O)CCCc1c[nH]nn1)C1CCN([C@@H](C)C(=O)N(C)C)CC1 ZINC001574895446 1271655673 /nfs/dbraw/zinc/65/56/73/1271655673.db2.gz UZYQKKYQAWPGLP-HNNXBMFYSA-N 0 3 374.489 0.530 20 30 FCEDHN C#CCN(C(=O)c1ccc(C#C)cn1)C1CCN(CCc2cn[nH]n2)CC1 ZINC001574927817 1271680319 /nfs/dbraw/zinc/68/03/19/1271680319.db2.gz BJZVDHWLRXFLGC-UHFFFAOYSA-N 0 3 362.437 0.964 20 30 FCEDHN C=CCNC(=O)Cn1c([C@@H]2CCCN2)nnc1N(C)Cc1cc(C)on1 ZINC001574935698 1271681417 /nfs/dbraw/zinc/68/14/17/1271681417.db2.gz BVUZAUUHLRQFOL-AWEZNQCLSA-N 0 3 359.434 0.938 20 30 FCEDHN C=CCn1c(C2CCCC2)nnc1N1C[C@H]2[C@H](C1)S(=O)(=O)C[C@H]2N ZINC001574952675 1271685004 /nfs/dbraw/zinc/68/50/04/1271685004.db2.gz VOBVBRBDBQCADE-MCIONIFRSA-N 0 3 351.476 0.682 20 30 FCEDHN C#CCNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)c1ccc(-c2c[nH]nn2)cc1 ZINC001575004209 1271691642 /nfs/dbraw/zinc/69/16/42/1271691642.db2.gz BDPXSNDCZGMLDQ-KGLIPLIRSA-N 0 3 368.441 0.660 20 30 FCEDHN 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ZINC001575104295 1271722311 /nfs/dbraw/zinc/72/23/11/1271722311.db2.gz OYELEZRDZTXOOB-CABCVRRESA-N 0 3 362.478 0.646 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@H](CC)CNC(=O)c1cncc(-c2c[nH]nn2)c1 ZINC001575104995 1271722507 /nfs/dbraw/zinc/72/25/07/1271722507.db2.gz ZGAHAIPPJLHTNH-IUODEOHRSA-N 0 3 371.445 0.655 20 30 FCEDHN C=CCOCC(=O)N1CCc2sc(CNCCc3c[nH]nn3)nc2C1 ZINC001575110660 1271723854 /nfs/dbraw/zinc/72/38/54/1271723854.db2.gz XBJQRCHCQHQKLE-UHFFFAOYSA-N 0 3 362.459 0.681 20 30 FCEDHN CC#CCN1CC[C@H](N(CC)C(=O)C2CCN(Cc3cn[nH]n3)CC2)C1 ZINC001575122018 1271731648 /nfs/dbraw/zinc/73/16/48/1271731648.db2.gz BOWDETPJIFZLML-SFHVURJKSA-N 0 3 358.490 0.963 20 30 FCEDHN C[C@H](C#N)C(=O)N(Cc1cn[nH]n1)C1CCN([C@@H]2CCCN(C)C2=O)CC1 ZINC001575178607 1271766508 /nfs/dbraw/zinc/76/65/08/1271766508.db2.gz PJVBNHKRQLTMPK-CZUORRHYSA-N 0 3 373.461 0.378 20 30 FCEDHN C[C@H](C(=O)NCc1c[nH]nn1)N1CCC[C@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001575225265 1271824519 /nfs/dbraw/zinc/82/45/19/1271824519.db2.gz 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/nfs/dbraw/zinc/43/62/86/1282436286.db2.gz PETVVQVQKNGDMB-IBGZPJMESA-N 0 3 368.441 0.723 20 30 FCEDHN C#CCCCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001588340421 1282436289 /nfs/dbraw/zinc/43/62/89/1282436289.db2.gz PETVVQVQKNGDMB-IBGZPJMESA-N 0 3 368.441 0.723 20 30 FCEDHN C#CCC[NH2+]CCCOC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001588347830 1282441507 /nfs/dbraw/zinc/44/15/07/1282441507.db2.gz ZWEIOHPWHKPJEE-UHFFFAOYSA-N 0 3 371.445 0.819 20 30 FCEDHN C#CCC[NH2+]CCCOC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001588347830 1282441511 /nfs/dbraw/zinc/44/15/11/1282441511.db2.gz ZWEIOHPWHKPJEE-UHFFFAOYSA-N 0 3 371.445 0.819 20 30 FCEDHN C#CC[N@@H+](CCOC)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001588350857 1282443921 /nfs/dbraw/zinc/44/39/21/1282443921.db2.gz SWZZZQQBPMKHKU-UHFFFAOYSA-N 0 3 357.418 0.381 20 30 FCEDHN C#CC[N@H+](CCOC)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001588350857 1282443924 /nfs/dbraw/zinc/44/39/24/1282443924.db2.gz SWZZZQQBPMKHKU-UHFFFAOYSA-N 0 3 357.418 0.381 20 30 FCEDHN C#CC[N@H+](C)CCCNS(=O)(=O)c1c(C)cc(F)cc1-c1nnn[n-]1 ZINC001588349743 1282444206 /nfs/dbraw/zinc/44/42/06/1282444206.db2.gz XTLFIILCIHZQCY-UHFFFAOYSA-N 0 3 366.422 0.548 20 30 FCEDHN C#CC[N@@H+](C)CCCNS(=O)(=O)c1c(C)cc(F)cc1-c1nnn[n-]1 ZINC001588349743 1282444210 /nfs/dbraw/zinc/44/42/10/1282444210.db2.gz XTLFIILCIHZQCY-UHFFFAOYSA-N 0 3 366.422 0.548 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)NC[C@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001588351084 1282446074 /nfs/dbraw/zinc/44/60/74/1282446074.db2.gz DRBWHNTYKLBPLQ-BBRMVZONSA-N 0 3 368.445 0.006 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)CC2 ZINC001588353694 1282450151 /nfs/dbraw/zinc/45/01/51/1282450151.db2.gz BUNVUORWIPTGPT-ZDUSSCGKSA-N 0 3 369.429 0.429 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588355510 1282454983 /nfs/dbraw/zinc/45/49/83/1282454983.db2.gz JAMLSWCOVOTZPC-CZUORRHYSA-N 0 3 354.414 0.596 20 30 FCEDHN C#CCOCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001588362692 1282486389 /nfs/dbraw/zinc/48/63/89/1282486389.db2.gz QDXSSWZPWYTJOI-SHTZXODSSA-N 0 3 372.404 0.783 20 30 FCEDHN C#CCOCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001588362692 1282486394 /nfs/dbraw/zinc/48/63/94/1282486394.db2.gz QDXSSWZPWYTJOI-SHTZXODSSA-N 0 3 372.404 0.783 20 30 FCEDHN C#CCOCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1-c1nnn[n-]1 ZINC001588362154 1282487356 /nfs/dbraw/zinc/48/73/56/1282487356.db2.gz XEXUHVITOMGSPD-MRXNPFEDSA-N 0 3 368.441 0.987 20 30 FCEDHN C#CCOCCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1-c1nnn[n-]1 ZINC001588362154 1282487359 /nfs/dbraw/zinc/48/73/59/1282487359.db2.gz XEXUHVITOMGSPD-MRXNPFEDSA-N 0 3 368.441 0.987 20 30 FCEDHN C#CCn1cc(CNC[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC001588364175 1282490835 /nfs/dbraw/zinc/49/08/35/1282490835.db2.gz XUJKQIKATNNNFD-OAHLLOKOSA-N 0 3 353.386 0.226 20 30 FCEDHN C=C(CC[NH+](C)C)C(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC001588444341 1282507145 /nfs/dbraw/zinc/50/71/45/1282507145.db2.gz XZQLDTWMKRSIDF-UHFFFAOYSA-N 0 3 356.434 0.418 20 30 FCEDHN C=C(CC[NH+](C)C)C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001588444341 1282507157 /nfs/dbraw/zinc/50/71/57/1282507157.db2.gz XZQLDTWMKRSIDF-UHFFFAOYSA-N 0 3 356.434 0.418 20 30 FCEDHN C=C[C@](C)(O)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588505676 1282548242 /nfs/dbraw/zinc/54/82/42/1282548242.db2.gz URLITZFMRSFAEZ-GTNSWQLSSA-N 0 3 362.409 0.927 20 30 FCEDHN C=CCC[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001588577506 1282572727 /nfs/dbraw/zinc/57/27/27/1282572727.db2.gz JAHBEDVGOMMMME-CHWSQXEVSA-N 0 3 361.450 0.914 20 30 FCEDHN C=CCC[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001588577506 1282572733 /nfs/dbraw/zinc/57/27/33/1282572733.db2.gz JAHBEDVGOMMMME-CHWSQXEVSA-N 0 3 361.450 0.914 20 30 FCEDHN C=CCC[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001588577506 1282572741 /nfs/dbraw/zinc/57/27/41/1282572741.db2.gz JAHBEDVGOMMMME-CHWSQXEVSA-N 0 3 361.450 0.914 20 30 FCEDHN C=CCC[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001588577506 1282572749 /nfs/dbraw/zinc/57/27/49/1282572749.db2.gz JAHBEDVGOMMMME-CHWSQXEVSA-N 0 3 361.450 0.914 20 30 FCEDHN C=CCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001588600576 1282579909 /nfs/dbraw/zinc/57/99/09/1282579909.db2.gz HEBWRULPDFMSEE-WFASDCNBSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001588600576 1282579918 /nfs/dbraw/zinc/57/99/18/1282579918.db2.gz HEBWRULPDFMSEE-WFASDCNBSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001588659919 1282611695 /nfs/dbraw/zinc/61/16/95/1282611695.db2.gz SVODBVMQDIGUTC-UHFFFAOYSA-N 0 3 374.449 0.185 20 30 FCEDHN C=CCNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001588659919 1282611710 /nfs/dbraw/zinc/61/17/10/1282611710.db2.gz SVODBVMQDIGUTC-UHFFFAOYSA-N 0 3 374.449 0.185 20 30 FCEDHN C=CCNC(=O)C[NH2+]C1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001588660020 1282612491 /nfs/dbraw/zinc/61/24/91/1282612491.db2.gz VGQVRCSRKOIIQT-UHFFFAOYSA-N 0 3 372.433 0.128 20 30 FCEDHN C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001588659091 1282614622 /nfs/dbraw/zinc/61/46/22/1282614622.db2.gz ZPUIVKALKVOBDO-VXGBXAGGSA-N 0 3 372.433 0.128 20 30 FCEDHN C=CCOCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588682232 1282640039 /nfs/dbraw/zinc/64/00/39/1282640039.db2.gz FDXVTQSQZFQPSL-CYBMUJFWSA-N 0 3 359.434 0.791 20 30 FCEDHN C=CCOCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588682232 1282640055 /nfs/dbraw/zinc/64/00/55/1282640055.db2.gz FDXVTQSQZFQPSL-CYBMUJFWSA-N 0 3 359.434 0.791 20 30 FCEDHN C=CCOCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588682232 1282640067 /nfs/dbraw/zinc/64/00/67/1282640067.db2.gz FDXVTQSQZFQPSL-CYBMUJFWSA-N 0 3 359.434 0.791 20 30 FCEDHN C=CCOCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588682232 1282640081 /nfs/dbraw/zinc/64/00/81/1282640081.db2.gz FDXVTQSQZFQPSL-CYBMUJFWSA-N 0 3 359.434 0.791 20 30 FCEDHN C=CCOCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588683580 1282650461 /nfs/dbraw/zinc/65/04/61/1282650461.db2.gz ZFTPENYMXJSKIA-ZDUSSCGKSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588683580 1282650479 /nfs/dbraw/zinc/65/04/79/1282650479.db2.gz ZFTPENYMXJSKIA-ZDUSSCGKSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588683580 1282650490 /nfs/dbraw/zinc/65/04/90/1282650490.db2.gz ZFTPENYMXJSKIA-ZDUSSCGKSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588683580 1282650502 /nfs/dbraw/zinc/65/05/02/1282650502.db2.gz ZFTPENYMXJSKIA-ZDUSSCGKSA-N 0 3 359.434 0.839 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1OCC ZINC001588753046 1282690434 /nfs/dbraw/zinc/69/04/34/1282690434.db2.gz YOYRVRXIWQVUTA-UKRRQHHQSA-N 0 3 357.418 0.285 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1OCC ZINC001588753046 1282690444 /nfs/dbraw/zinc/69/04/44/1282690444.db2.gz YOYRVRXIWQVUTA-UKRRQHHQSA-N 0 3 357.418 0.285 20 30 FCEDHN CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001591104571 1284178205 /nfs/dbraw/zinc/17/82/05/1284178205.db2.gz PAEVZNIKHSRHBB-UHFFFAOYSA-N 0 3 350.386 0.928 20 30 FCEDHN COCC#CC[NH2+][C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1(C)C ZINC001591360735 1284495790 /nfs/dbraw/zinc/49/57/90/1284495790.db2.gz GKXINBXWZRTNSQ-CQSZACIVSA-N 0 3 357.418 0.285 20 30 FCEDHN COC(=O)[C@@H]1CCN(C(=O)C(C#N)Cc2ccc(-c3nn[nH]n3)cc2)[C@H]1C ZINC001609296654 1289065538 /nfs/dbraw/zinc/06/55/38/1289065538.db2.gz POQZHHIVIBREAO-TUKIKUTGSA-N 0 3 368.397 0.959 20 30 FCEDHN C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001602716758 1287073469 /nfs/dbraw/zinc/07/34/69/1287073469.db2.gz OUIZLMJVJPUOHJ-UHFFFAOYSA-N 0 3 359.365 0.016 20 30 FCEDHN C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001602716758 1287073483 /nfs/dbraw/zinc/07/34/83/1287073483.db2.gz OUIZLMJVJPUOHJ-UHFFFAOYSA-N 0 3 359.365 0.016 20 30 FCEDHN C#CCN1CCC([NH2+]CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001602721548 1287077393 /nfs/dbraw/zinc/07/73/93/1287077393.db2.gz NKOPMBPILZDMBG-UHFFFAOYSA-N 0 3 353.430 0.883 20 30 FCEDHN C#CCN1CCC([NH2+]CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001602721548 1287077407 /nfs/dbraw/zinc/07/74/07/1287077407.db2.gz NKOPMBPILZDMBG-UHFFFAOYSA-N 0 3 353.430 0.883 20 30 FCEDHN C=CC[NH+]1CCC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)(COC)CC1 ZINC001602862289 1287139032 /nfs/dbraw/zinc/13/90/32/1287139032.db2.gz HUNXLWQPVQPCCB-UHFFFAOYSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CC[NH+]1CCC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)(COC)CC1 ZINC001602862289 1287139037 /nfs/dbraw/zinc/13/90/37/1287139037.db2.gz HUNXLWQPVQPCCB-UHFFFAOYSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001602869141 1287143868 /nfs/dbraw/zinc/14/38/68/1287143868.db2.gz BCIJIDVUKXVCAA-GXTWGEPZSA-N 0 3 359.434 0.886 20 30 FCEDHN C=CCOCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001602869141 1287143871 /nfs/dbraw/zinc/14/38/71/1287143871.db2.gz BCIJIDVUKXVCAA-GXTWGEPZSA-N 0 3 359.434 0.886 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCN(C(=O)CC)C2)C[C@H]1c1cnn(C)c1 ZINC001691978660 1289354573 /nfs/dbraw/zinc/35/45/73/1289354573.db2.gz OYDVSNPWSPACSX-BPQIPLTHSA-N 0 3 371.485 0.586 20 30 FCEDHN C=CCn1cc(C(=O)N2CC[C@@H](C)C[C@H]2CNCC(=O)NCCC)nn1 ZINC001692087405 1289394237 /nfs/dbraw/zinc/39/42/37/1289394237.db2.gz ASUHFQFKSDGSKR-CABCVRRESA-N 0 3 362.478 0.821 20 30 FCEDHN N#Cc1ccc(CNC/C=C/CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)cc1F ZINC001699308034 1289548958 /nfs/dbraw/zinc/54/89/58/1289548958.db2.gz KKWHOPWQFKYIOB-WJGOZPTBSA-N 0 3 360.389 0.492 20 30 FCEDHN C#CCCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001757035284 1290705602 /nfs/dbraw/zinc/70/56/02/1290705602.db2.gz KERPVVQRFSOVHV-HZPDHXFCSA-N 0 3 351.491 0.846 20 30 FCEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CN(CC)CC)C[C@H]2OC)cc1 ZINC001757140615 1290723725 /nfs/dbraw/zinc/72/37/25/1290723725.db2.gz NJBLJPBJYMQIJB-QZTJIDSGSA-N 0 3 357.454 0.965 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@H]2CCn3cncc3C2)C[C@H]1c1cnn(C)c1 ZINC001689032104 1294577397 /nfs/dbraw/zinc/57/73/97/1294577397.db2.gz NBRQNOKCEAVIRQ-ZYSHUDEJSA-N 0 3 366.469 0.787 20 30 FCEDHN C=CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1cnn2c1CCC2 ZINC001689089965 1294608090 /nfs/dbraw/zinc/60/80/90/1294608090.db2.gz DDYURLYRSNUHJM-CABCVRRESA-N 0 3 359.474 0.962 20 30 FCEDHN C#CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)CCc1nc(C)no1 ZINC001689095538 1294614499 /nfs/dbraw/zinc/61/44/99/1294614499.db2.gz HGKWTJMLFWQEDQ-HIFRSBDPSA-N 0 3 361.446 0.277 20 30 FCEDHN 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FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn(C)nc1Cl ZINC001229640220 857280037 /nfs/dbraw/zinc/28/00/37/857280037.db2.gz TUQXEZFPDJEBMF-CHWSQXEVSA-N 0 3 351.838 0.454 20 30 FCEDHN COCCC1(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)CCC1 ZINC001229933697 857293348 /nfs/dbraw/zinc/29/33/48/857293348.db2.gz VNAIVIQISQMEET-HUUCEWRRSA-N 0 3 350.463 0.850 20 30 FCEDHN C#CCOC[C@H](O)CN[C@H](CO)[C@@H](O)c1ccc(Br)cc1 ZINC001251821862 857754199 /nfs/dbraw/zinc/75/41/99/857754199.db2.gz YRSJYXHFTOJHSB-KFWWJZLASA-N 0 3 358.232 0.444 20 30 FCEDHN C#CCOC[C@H](O)CN1CC[C@H]2O[C@H](C(=O)N3CCCCO3)CC[C@H]21 ZINC001251839741 857758678 /nfs/dbraw/zinc/75/86/78/857758678.db2.gz JRIHBBIEOSBFNU-VQHPVUNQSA-N 0 3 352.431 0.173 20 30 FCEDHN C#CCOC[C@H](O)CN1C[C@@H]2CN(Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001251842864 857759295 /nfs/dbraw/zinc/75/92/95/857759295.db2.gz GRXMKDQQLWEDHI-CGTJXYLNSA-N 0 3 365.499 0.595 20 30 FCEDHN C=CCC[C@@H](O)CNCC(=O)NC[C@H](O)c1cc(OC)ccc1OC ZINC001252617390 857824539 /nfs/dbraw/zinc/82/45/39/857824539.db2.gz DLBMETZEERAYJF-CJNGLKHVSA-N 0 3 352.431 0.770 20 30 FCEDHN C=CCN1CCC[C@@H](N[C@H](C)CCS(=O)(=O)CCC(=O)OC)C1=O ZINC001257922083 858165002 /nfs/dbraw/zinc/16/50/02/858165002.db2.gz BCMKOSSJGYYGNM-ZIAGYGMSSA-N 0 3 360.476 0.510 20 30 FCEDHN CN(C)CCN1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CCC1=O ZINC001260042307 858326735 /nfs/dbraw/zinc/32/67/35/858326735.db2.gz MEZKRVWANDNAQR-UHFFFAOYSA-N 0 3 364.471 0.484 20 30 FCEDHN C#CCN(C)CCCNC(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 ZINC001263728146 859197479 /nfs/dbraw/zinc/19/74/79/859197479.db2.gz JEWOQSIHZYUDJE-UHFFFAOYSA-N 0 3 354.451 0.223 20 30 FCEDHN CC(=O)N[C@@H](CS)C(=O)N1CCC2(CN(CCn3ccnc3)C2)CC1 ZINC001270180545 859681150 /nfs/dbraw/zinc/68/11/50/859681150.db2.gz YMMKKRJLQZLTAF-HNNXBMFYSA-N 0 3 365.503 0.242 20 30 FCEDHN CC(C)[C@H](C(=O)N1CC[C@]2(C1)CN(CCCC#N)C(=O)CO2)N(C)C ZINC001273183259 860402619 /nfs/dbraw/zinc/40/26/19/860402619.db2.gz RTWVEZBNMVMCMV-SJLPKXTDSA-N 0 3 350.463 0.706 20 30 FCEDHN CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)C2CC3(C2)CNC[C@H]3C#N)C1 ZINC001349815154 866451986 /nfs/dbraw/zinc/45/19/86/866451986.db2.gz GOWWEUXBMKMCEQ-OGECIDPKSA-N 0 3 358.364 0.653 20 30 FCEDHN C=CCC1(O)CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC001350388990 866582541 /nfs/dbraw/zinc/58/25/41/866582541.db2.gz UFHCGDHRVPOZGB-INIZCTEOSA-N 0 3 355.504 0.470 20 30 FCEDHN CCn1c(C2CCN(CCO)CC2)nnc1N(CCC#N)CCOC ZINC001356427594 868001773 /nfs/dbraw/zinc/00/17/73/868001773.db2.gz DNHJHMOPNUJSPH-UHFFFAOYSA-N 0 3 350.467 0.836 20 30 FCEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N(C)[C@H]1CCNC1=O)C(C)C ZINC001323201547 869096351 /nfs/dbraw/zinc/09/63/51/869096351.db2.gz DQUAREFHALFAAC-LSDHHAIUSA-N 0 3 350.463 0.148 20 30 FCEDHN C#CCN(C)CCCNC(=O)Cc1ccc(S(=O)(=O)CCO)cc1 ZINC001324372535 869562219 /nfs/dbraw/zinc/56/22/19/869562219.db2.gz AJFVHWPESHYJAI-UHFFFAOYSA-N 0 3 352.456 0.066 20 30 FCEDHN Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H](C)C#N)cc(C)n1 ZINC001327250772 870744173 /nfs/dbraw/zinc/74/41/73/870744173.db2.gz KHFYJSCPWHRXEJ-LLVKDONJSA-N 0 3 374.488 0.331 20 30 FCEDHN N#CCCC[C@@H](N)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001328298940 871345312 /nfs/dbraw/zinc/34/53/12/871345312.db2.gz ACZCTACEPGMQLE-MRXNPFEDSA-N 0 3 364.471 0.559 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NCCCOC2CCOCC2)CC1 ZINC001328669674 871570063 /nfs/dbraw/zinc/57/00/63/871570063.db2.gz MQNQRHPLBQYUHV-UHFFFAOYSA-N 0 3 353.463 0.455 20 30 FCEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@H](CC#N)C1 ZINC001329649710 872157389 /nfs/dbraw/zinc/15/73/89/872157389.db2.gz SXWGHSFKFIJKPY-CVEARBPZSA-N 0 3 350.463 0.708 20 30 FCEDHN C#CCC[N@@H+](CCOC)C1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573283383 946713356 /nfs/dbraw/zinc/71/33/56/946713356.db2.gz SHKXNHPFSSMITH-UHFFFAOYSA-N 0 3 371.445 0.771 20 30 FCEDHN C#CCC[N@H+](CCOC)C1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573283383 946713364 /nfs/dbraw/zinc/71/33/64/946713364.db2.gz SHKXNHPFSSMITH-UHFFFAOYSA-N 0 3 371.445 0.771 20 30 FCEDHN C#CCC[N@@H+](CCOC)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573283383 946713370 /nfs/dbraw/zinc/71/33/70/946713370.db2.gz SHKXNHPFSSMITH-UHFFFAOYSA-N 0 3 371.445 0.771 20 30 FCEDHN C#CCC[N@H+](CCOC)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573283383 946713377 /nfs/dbraw/zinc/71/33/77/946713377.db2.gz SHKXNHPFSSMITH-UHFFFAOYSA-N 0 3 371.445 0.771 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N(C)CCNCc1cc(-c2nn[nH]n2)ccc1OC ZINC001573285730 946787747 /nfs/dbraw/zinc/78/77/47/946787747.db2.gz MJPHYTSVCIBNAM-ZDUSSCGKSA-N 0 3 372.429 0.462 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573285758 946788181 /nfs/dbraw/zinc/78/81/81/946788181.db2.gz MYJHFFLGYIEZEE-STQMWFEESA-N 0 3 374.420 0.981 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573286184 946797289 /nfs/dbraw/zinc/79/72/89/946797289.db2.gz VZRWCFVKGFPIHR-JSGCOSHPSA-N 0 3 372.404 0.735 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573286184 946797294 /nfs/dbraw/zinc/79/72/94/946797294.db2.gz VZRWCFVKGFPIHR-JSGCOSHPSA-N 0 3 372.404 0.735 20 30 FCEDHN C[C@@H](C#N)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573560633 946956445 /nfs/dbraw/zinc/95/64/45/946956445.db2.gz DXDZGYALRKPSSX-JQWIXIFHSA-N 0 3 361.381 0.074 20 30 FCEDHN C[C@@H](C#N)C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573562722 946978568 /nfs/dbraw/zinc/97/85/68/946978568.db2.gz WTDHLVVWGRXYSM-JSGCOSHPSA-N 0 3 357.418 0.277 20 30 FCEDHN C[C@@H](C#N)C(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573562722 946978580 /nfs/dbraw/zinc/97/85/80/946978580.db2.gz WTDHLVVWGRXYSM-JSGCOSHPSA-N 0 3 357.418 0.277 20 30 FCEDHN C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574997856 950554365 /nfs/dbraw/zinc/55/43/65/950554365.db2.gz YSXZXFCXMUAYHQ-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574997856 950554384 /nfs/dbraw/zinc/55/43/84/950554384.db2.gz YSXZXFCXMUAYHQ-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@H](CNC(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574997855 950555910 /nfs/dbraw/zinc/55/59/10/950555910.db2.gz YSXZXFCXMUAYHQ-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@H](CNC(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574997855 950555930 /nfs/dbraw/zinc/55/59/30/950555930.db2.gz YSXZXFCXMUAYHQ-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN COC(=O)Cn1cc(CCN2CC[C@H](Oc3ccc(C#N)cn3)C2)nn1 ZINC000292131634 214080316 /nfs/dbraw/zinc/08/03/16/214080316.db2.gz IRWREGYILNSRHS-HNNXBMFYSA-N 0 3 356.386 0.414 20 30 FCEDHN N#Cc1cc(F)ccc1CS(=O)(=O)NC[C@@H](O)CN1CCCCC1 ZINC000295473964 214299495 /nfs/dbraw/zinc/29/94/95/214299495.db2.gz GFVVNOZQRCCQNT-MRXNPFEDSA-N 0 3 355.435 0.964 20 30 FCEDHN Cn1c(=O)c(C#N)c(N2CC[C@H](OCCN3CCCCC3)C2)n(C)c1=O ZINC000301749031 214759289 /nfs/dbraw/zinc/75/92/89/214759289.db2.gz SRWOLISNBGMEPH-AWEZNQCLSA-N 0 3 361.446 0.037 20 30 FCEDHN N#Cc1cncc(S(=O)(=O)NCC2(N3CCCC3)CCOCC2)c1 ZINC000289915761 213915381 /nfs/dbraw/zinc/91/53/81/213915381.db2.gz TZYLLFNWCZGKPK-UHFFFAOYSA-N 0 3 350.444 0.877 20 30 FCEDHN CN1CCN(CCNC(=O)C(=O)NCc2cccc(C#N)c2)CC1(C)C ZINC000284138195 213082630 /nfs/dbraw/zinc/08/26/30/213082630.db2.gz WHDUUNGJKXJTRO-UHFFFAOYSA-N 0 3 357.458 0.317 20 30 FCEDHN CCN1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)c1cccnc1C#N ZINC000277121675 212331559 /nfs/dbraw/zinc/33/15/59/212331559.db2.gz ZEGWCWLREARDPS-HNNXBMFYSA-N 0 3 365.503 0.990 20 30 FCEDHN CCN1CCN(C[C@H](C)CNS(=O)(=O)c2cccnc2C#N)CC1 ZINC000276942444 212310228 /nfs/dbraw/zinc/31/02/28/212310228.db2.gz AWTWGVDWEGVOPR-CQSZACIVSA-N 0 3 351.476 0.505 20 30 FCEDHN COc1ccc(C#N)cc1NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000275970537 212130042 /nfs/dbraw/zinc/13/00/42/212130042.db2.gz LVJTWNOEJOTVSM-UHFFFAOYSA-N 0 3 373.457 0.601 20 30 FCEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000185420637 209175917 /nfs/dbraw/zinc/17/59/17/209175917.db2.gz YAMDUUFXNXCPEC-CJNGLKHVSA-N 0 3 353.426 0.888 20 30 FCEDHN CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000419957719 246387145 /nfs/dbraw/zinc/38/71/45/246387145.db2.gz PCNVKNAWPNGFSO-ZWKOTPCHSA-N 0 3 371.485 0.713 20 30 FCEDHN N#C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CN)CCN1Cc1ccccc1 ZINC000423628807 247083191 /nfs/dbraw/zinc/08/31/91/247083191.db2.gz WSWHSKOAKPNMTH-QZTJIDSGSA-N 0 3 369.469 0.563 20 30 FCEDHN N#CCCC[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000424071322 247165264 /nfs/dbraw/zinc/16/52/64/247165264.db2.gz BCJLVCNUMFQTQH-HNNXBMFYSA-N 0 3 350.444 0.541 20 30 FCEDHN N#CCCC[C@H](N)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000424131833 247171077 /nfs/dbraw/zinc/17/10/77/247171077.db2.gz GVRJJNYZZRQVQW-INIZCTEOSA-N 0 3 361.421 0.930 20 30 FCEDHN N#CCCC[C@H](N)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000424136487 247171862 /nfs/dbraw/zinc/17/18/62/247171862.db2.gz KRTWPQMQPBIWHO-ZWKOTPCHSA-N 0 3 369.469 0.957 20 30 FCEDHN CCOC(=O)c1ccc(N2CCN(C(=O)[C@@H](N)CCCC#N)CC2)nc1 ZINC000424169583 247173717 /nfs/dbraw/zinc/17/37/17/247173717.db2.gz AFCPDNQOAWQMEB-HNNXBMFYSA-N 0 3 359.430 0.928 20 30 FCEDHN Cc1nc2c(cnn2C)c(N2CCN(C(=O)[C@H](N)CCCC#N)CC2)n1 ZINC000424148052 247174382 /nfs/dbraw/zinc/17/43/82/247174382.db2.gz SXXLSNGXXSZAJY-CQSZACIVSA-N 0 3 356.434 0.342 20 30 FCEDHN N#CCCC[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000424165821 247174772 /nfs/dbraw/zinc/17/47/72/247174772.db2.gz FJPNKVONJVMKQX-DLBZAZTESA-N 0 3 358.442 0.594 20 30 FCEDHN N#Cc1cnn(-c2ccc(C(=O)N[C@H]3CCCN(CCCO)C3)cc2)c1N ZINC000452373847 249312107 /nfs/dbraw/zinc/31/21/07/249312107.db2.gz IGTGXRWYBMFYOC-INIZCTEOSA-N 0 3 368.441 0.903 20 30 FCEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCCN1CCCO ZINC000453802086 249370082 /nfs/dbraw/zinc/37/00/82/249370082.db2.gz BOOPONODZRHOLY-HNNXBMFYSA-N 0 3 374.441 0.858 20 30 FCEDHN CCS(=O)(=O)N1CC(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000471149693 250091397 /nfs/dbraw/zinc/09/13/97/250091397.db2.gz XUIFWNPRMGSGBL-INIZCTEOSA-N 0 3 360.439 0.638 20 30 FCEDHN CCNC(=O)CN1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000471705592 250114964 /nfs/dbraw/zinc/11/49/64/250114964.db2.gz KRCJJPFLWURHSC-QGZVFWFLSA-N 0 3 353.426 0.521 20 30 FCEDHN Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCCN(C)[C@H]3C)CC2)c1C#N ZINC000472060739 250130001 /nfs/dbraw/zinc/13/00/01/250130001.db2.gz XZFFADWBJWAMAU-HOCLYGCPSA-N 0 3 359.478 0.915 20 30 FCEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCN(CCn3cncn3)CC2)cc1 ZINC000472203075 250139918 /nfs/dbraw/zinc/13/99/18/250139918.db2.gz APLCRHBWTSESPI-SFHVURJKSA-N 0 3 363.425 0.676 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2COCCO2)cc1 ZINC000480962387 250303296 /nfs/dbraw/zinc/30/32/96/250303296.db2.gz MOSVJCHZIDOIFW-WCQYABFASA-N 0 3 353.400 0.909 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](CO)OC[C@H]2C)cc1 ZINC000481016181 250308683 /nfs/dbraw/zinc/30/86/83/250308683.db2.gz PCIZGPRRHYNSGM-DYEKYZERSA-N 0 3 367.427 0.986 20 30 FCEDHN N#Cc1ccc(CS(=O)(=O)NCC2CCN(CCO)CC2)c(F)c1 ZINC000481016409 250309605 /nfs/dbraw/zinc/30/96/05/250309605.db2.gz UDLNGSQZYHOIGW-UHFFFAOYSA-N 0 3 355.435 0.821 20 30 FCEDHN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000481154470 250319061 /nfs/dbraw/zinc/31/90/61/250319061.db2.gz GWJZBANIOUYPGB-TZMCWYRMSA-N 0 3 362.455 0.578 20 30 FCEDHN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C)CC[C@@H]1C ZINC000482178350 250379882 /nfs/dbraw/zinc/37/98/82/250379882.db2.gz MLPSEWCYSFNDOA-KBPBESRZSA-N 0 3 364.471 0.778 20 30 FCEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000072882837 208041809 /nfs/dbraw/zinc/04/18/09/208041809.db2.gz ZCFMJQQCMKOTQZ-GOSISDBHSA-N 0 3 372.469 0.943 20 30 FCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](N(C)C)C3)CC2)o1 ZINC000109810724 208263271 /nfs/dbraw/zinc/26/32/71/208263271.db2.gz IZWUZDGUPMFHSQ-OAHLLOKOSA-N 0 3 360.462 0.529 20 30 FCEDHN COC[C@@H](C)NC(=[NH2+])NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000130677912 229179090 /nfs/dbraw/zinc/17/90/90/229179090.db2.gz CDXYSKYGKMKUTE-MRVPVSSYSA-N 0 3 354.885 0.619 20 30 FCEDHN [NH2+]=C(NCc1nnc(C(F)(F)F)[n-]1)N1CCN(c2ncccn2)CC1 ZINC000262497240 229309114 /nfs/dbraw/zinc/30/91/14/229309114.db2.gz KDXSGUIRELIILO-UHFFFAOYSA-N 0 3 355.328 0.250 20 30 FCEDHN [NH2+]=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCN(c2ncccn2)CC1 ZINC000262497240 229309116 /nfs/dbraw/zinc/30/91/16/229309116.db2.gz KDXSGUIRELIILO-UHFFFAOYSA-N 0 3 355.328 0.250 20 30 FCEDHN [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C/N=C3/[N-]S(=O)(=O)c4ccccc43)C[C@H]21 ZINC000363678473 229905324 /nfs/dbraw/zinc/90/53/24/229905324.db2.gz QRVLUNXKKVXBLL-MRVWCRGKSA-N 0 3 362.455 0.311 20 30 FCEDHN N#C[C@H]1CN(C(=O)[C@H]2CN3CCN2CCC3)CCN1Cc1ccccc1 ZINC000408030641 230007543 /nfs/dbraw/zinc/00/75/43/230007543.db2.gz MKIUYXKWOUPENF-RBUKOAKNSA-N 0 3 353.470 0.613 20 30 FCEDHN N#C[C@H]1CN(S(=O)(=O)NC[C@H]2CCCN2Cc2ccccc2)CCO1 ZINC000410154357 230063537 /nfs/dbraw/zinc/06/35/37/230063537.db2.gz MYNRNVBDLBKIBQ-SJORKVTESA-N 0 3 364.471 0.710 20 30 FCEDHN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1C#N ZINC000535506833 484193768 /nfs/dbraw/zinc/19/37/68/484193768.db2.gz HKHXVEAYARXIFH-UHFFFAOYSA-N 0 3 352.354 0.569 20 30 FCEDHN Cn1c(=O)c(C#N)c(N2CC[C@@H](OCCN3CCCCC3)C2)n(C)c1=O ZINC000301749033 488883613 /nfs/dbraw/zinc/88/36/13/488883613.db2.gz SRWOLISNBGMEPH-CQSZACIVSA-N 0 3 361.446 0.037 20 30 FCEDHN C#CCNC(=O)c1ccc(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)nc1 ZINC000301911583 488885476 /nfs/dbraw/zinc/88/54/76/488885476.db2.gz BPFBTQQQJPFCKP-MRXNPFEDSA-N 0 3 355.442 0.363 20 30 FCEDHN C[C@@H](CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)N(C)C1CC1 ZINC000287952075 488925420 /nfs/dbraw/zinc/92/54/20/488925420.db2.gz QMRBOJZTLDPJSV-AWEZNQCLSA-N 0 3 370.457 0.201 20 30 FCEDHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cc(C#N)ccc2OC)CC1 ZINC000050165193 488106982 /nfs/dbraw/zinc/10/69/82/488106982.db2.gz WXFSFDSRYBRKEC-CQSZACIVSA-N 0 3 373.457 0.648 20 30 FCEDHN CN(C)CCN1CCC(NC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000329097443 488969140 /nfs/dbraw/zinc/96/91/40/488969140.db2.gz CGEBFDYVYXEOLK-SJLPKXTDSA-N 0 3 354.495 0.854 20 30 FCEDHN C#CCN1CCC(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000057154792 488267276 /nfs/dbraw/zinc/26/72/76/488267276.db2.gz DEMSSMNUXPJBAB-UHFFFAOYSA-N 0 3 363.483 0.735 20 30 FCEDHN C[C@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)N1CCCC1 ZINC000075847876 488399401 /nfs/dbraw/zinc/39/94/01/488399401.db2.gz VPTFYHFGYZQBBE-CQSZACIVSA-N 0 3 364.471 0.779 20 30 FCEDHN CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000076237797 488402290 /nfs/dbraw/zinc/40/22/90/488402290.db2.gz WMUSMEPCRZNGNU-NSHDSACASA-N 0 3 358.320 0.554 20 30 FCEDHN CN(C)CCN(Cc1ccccc1F)c1c(C#N)c(=O)n(C)c(=O)n1C ZINC000268281337 488403986 /nfs/dbraw/zinc/40/39/86/488403986.db2.gz BGFCBOQXKJDPIV-UHFFFAOYSA-N 0 3 359.405 0.663 20 30 FCEDHN C=CCN1CCC(NC(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000076984305 488408170 /nfs/dbraw/zinc/40/81/70/488408170.db2.gz GFXRSDMCZUUAJY-OAHLLOKOSA-N 0 3 363.506 0.631 20 30 FCEDHN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN(C)C1CC1 ZINC000268766005 488448261 /nfs/dbraw/zinc/44/82/61/488448261.db2.gz JMJNZVFCERJLDQ-LBPRGKRZSA-N 0 3 350.444 0.435 20 30 FCEDHN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CCCN(C)C1 ZINC000246983769 488479362 /nfs/dbraw/zinc/47/93/62/488479362.db2.gz GJDWMZOAVVMEJD-LSDHHAIUSA-N 0 3 357.462 0.910 20 30 FCEDHN C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@](C)(O)CN(C)C ZINC000269915724 488513723 /nfs/dbraw/zinc/51/37/23/488513723.db2.gz OSPUVGKGLQEPKR-KRWDZBQOSA-N 0 3 351.378 0.205 20 30 FCEDHN COC(=O)CCN1CCN(C[C@@H](O)COc2ccc(C#N)cc2)[C@H](C)C1 ZINC000271726108 488542114 /nfs/dbraw/zinc/54/21/14/488542114.db2.gz MCWIMQTXIXFYMQ-NVXWUHKLSA-N 0 3 361.442 0.867 20 30 FCEDHN C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(CN(C)C)cc2)CC1 ZINC000114916194 488542758 /nfs/dbraw/zinc/54/27/58/488542758.db2.gz XHFBVUXGWYGEGY-UHFFFAOYSA-N 0 3 373.501 0.878 20 30 FCEDHN C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)CN(C)Cc2ccccc2)C1=O ZINC000271997109 488557732 /nfs/dbraw/zinc/55/77/32/488557732.db2.gz QWRFJEUXVMEDRU-CQSZACIVSA-N 0 3 372.425 0.600 20 30 FCEDHN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000120368089 488561435 /nfs/dbraw/zinc/56/14/35/488561435.db2.gz VILJFOKDSDCRQQ-ZFWWWQNUSA-N 0 3 364.471 0.683 20 30 FCEDHN CCN1CCN(CCC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC000263674913 488617582 /nfs/dbraw/zinc/61/75/82/488617582.db2.gz MAFIYYCYTXRCEO-UHFFFAOYSA-N 0 3 356.474 0.629 20 30 FCEDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)COc1ccccc1C#N ZINC000263682903 488618204 /nfs/dbraw/zinc/61/82/04/488618204.db2.gz LGGUIEGQWZKGNK-INIZCTEOSA-N 0 3 358.442 0.996 20 30 FCEDHN N#Cc1cccc(NC(=O)C2CCN(CCCS(N)(=O)=O)CC2)c1 ZINC000264195114 488653892 /nfs/dbraw/zinc/65/38/92/488653892.db2.gz NUMWCVPSZUJILY-UHFFFAOYSA-N 0 3 350.444 0.887 20 30 FCEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)N(CCOC)CCN(C)C ZINC000264281058 488659939 /nfs/dbraw/zinc/65/99/39/488659939.db2.gz QSLGNUNKBAJXLL-UHFFFAOYSA-N 0 3 362.430 0.932 20 30 FCEDHN COCCN1CC[C@@H](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C1 ZINC000264578536 488686968 /nfs/dbraw/zinc/68/69/68/488686968.db2.gz TZBABZQQJBHZRS-MRXNPFEDSA-N 0 3 370.457 0.987 20 30 FCEDHN Cc1oc(NC(=O)CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(C#N)c1C ZINC000141563358 488688119 /nfs/dbraw/zinc/68/81/19/488688119.db2.gz OFGJIBXHQRBZCV-INIZCTEOSA-N 0 3 373.457 0.945 20 30 FCEDHN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1CCCCC1 ZINC000151286678 488703409 /nfs/dbraw/zinc/70/34/09/488703409.db2.gz RJBMZTSVMOCBKQ-AWEZNQCLSA-N 0 3 364.471 0.827 20 30 FCEDHN CCN(CCO)CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000274470676 488711480 /nfs/dbraw/zinc/71/14/80/488711480.db2.gz PMOXTMFCJMUOGU-UHFFFAOYSA-N 0 3 370.356 0.529 20 30 FCEDHN CN(C)CCn1ccc(NC(=O)C(=O)NCc2cc(C#N)ccc2F)n1 ZINC000153939580 488736371 /nfs/dbraw/zinc/73/63/71/488736371.db2.gz RDSSFKYGNRFXQQ-UHFFFAOYSA-N 0 3 358.377 0.710 20 30 FCEDHN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000159906124 488788071 /nfs/dbraw/zinc/78/80/71/488788071.db2.gz JWURHPWZCMHNNC-HIFRSBDPSA-N 0 3 364.471 0.778 20 30 FCEDHN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000159915744 488788476 /nfs/dbraw/zinc/78/84/76/488788476.db2.gz MEJJHQHQJVSMHD-HIFRSBDPSA-N 0 3 364.471 0.778 20 30 FCEDHN CCOC(=O)CON=C(C(=O)N(C)C[C@H]1CCCN(C)C1)c1ccn[nH]1 ZINC000278102410 488800657 /nfs/dbraw/zinc/80/06/57/488800657.db2.gz ZNMAEFZZIISIRT-GJEKEPIOSA-N 0 3 365.434 0.494 20 30 FCEDHN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000162169616 488800842 /nfs/dbraw/zinc/80/08/42/488800842.db2.gz JHKMPIUOKYQFPH-STQMWFEESA-N 0 3 364.471 0.824 20 30 FCEDHN CCN1CCN(C[C@@H](C)CNC(=O)CNC(=O)c2ccc(C#N)cc2)CC1 ZINC000163100188 488806791 /nfs/dbraw/zinc/80/67/91/488806791.db2.gz MKVKMGVONZQTCJ-INIZCTEOSA-N 0 3 371.485 0.678 20 30 FCEDHN CCN1CCN(CCCNC(=O)CNC(=O)c2ccc(C#N)cc2)CC1 ZINC000171111749 488819996 /nfs/dbraw/zinc/81/99/96/488819996.db2.gz UIPZFYLPSRUWPJ-UHFFFAOYSA-N 0 3 357.458 0.432 20 30 FCEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CCC(C(=O)NCCN(C)C)CC1 ZINC000171658411 488825460 /nfs/dbraw/zinc/82/54/60/488825460.db2.gz YRHLJRRJAYYTJB-SFHVURJKSA-N 0 3 351.495 0.431 20 30 FCEDHN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1CCCC1 ZINC000178295176 488860225 /nfs/dbraw/zinc/86/02/25/488860225.db2.gz KJBJSWBBAKDDCD-ZDUSSCGKSA-N 0 3 350.444 0.437 20 30 FCEDHN CC[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)C(=O)N1CCOCC1 ZINC000279912784 488974900 /nfs/dbraw/zinc/97/49/00/488974900.db2.gz FAABVQIGLARVRZ-SJORKVTESA-N 0 3 354.410 0.994 20 30 FCEDHN CN1CC=C(CNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000329214251 488981666 /nfs/dbraw/zinc/98/16/66/488981666.db2.gz KWLGBNFTQSRNMC-KRWDZBQOSA-N 0 3 364.490 0.918 20 30 FCEDHN Cc1nnc([C@H]2CCCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)C2)[nH]1 ZINC000329270466 488987395 /nfs/dbraw/zinc/98/73/95/488987395.db2.gz HCVIOIMONUBIHR-DLBZAZTESA-N 0 3 373.505 0.985 20 30 FCEDHN C[C@H](CNC(=O)N1CC[C@@]2(C1)NC(=O)N(C)C2=O)N1CCC(C)CC1 ZINC000329469664 489007463 /nfs/dbraw/zinc/00/74/63/489007463.db2.gz YFEWLDBONDRRDI-DYVFJYSZSA-N 0 3 351.451 0.851 20 30 FCEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000329526594 489012744 /nfs/dbraw/zinc/01/27/44/489012744.db2.gz HPVJYXMDDFMQLW-SYAUCNOPSA-N 0 3 351.447 0.832 20 30 FCEDHN C[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1)C1=CCN(C)CC1 ZINC000329705267 489029159 /nfs/dbraw/zinc/02/91/59/489029159.db2.gz KCSBJJGWMFCNLR-VNQPRFMTSA-N 0 3 351.447 1.000 20 30 FCEDHN CC(=O)N1CC[C@@H](NC(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)C1 ZINC000329775243 489034775 /nfs/dbraw/zinc/03/47/75/489034775.db2.gz JDGPYNQEKAPIQC-QGZVFWFLSA-N 0 3 365.522 0.871 20 30 FCEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000329803134 489037865 /nfs/dbraw/zinc/03/78/65/489037865.db2.gz ZLPKVQLSAPXAEB-DZGCQCFKSA-N 0 3 360.524 0.987 20 30 FCEDHN N#Cc1cncc(S(=O)(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000329828060 489040146 /nfs/dbraw/zinc/04/01/46/489040146.db2.gz JBLUYQCUCWLOOO-DLBZAZTESA-N 0 3 364.471 0.999 20 30 FCEDHN CN1CCN(CC2(C)CCN(C(=O)NC[C@@H]3CN(C)CCO3)CC2)CC1 ZINC000329832581 489040777 /nfs/dbraw/zinc/04/07/77/489040777.db2.gz KKSCFSWJMZFEIZ-QGZVFWFLSA-N 0 3 367.538 0.581 20 30 FCEDHN COCCN1CCC[C@@H]1CNC(=O)N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000329895868 489046509 /nfs/dbraw/zinc/04/65/09/489046509.db2.gz CBRUYNUXAGWTDH-AEFFLSMTSA-N 0 3 365.478 0.992 20 30 FCEDHN CN(C)C(=O)CN1CCC(NC(=O)NC[C@@H]2CCc3nccn3C2)CC1 ZINC000329902424 489047734 /nfs/dbraw/zinc/04/77/34/489047734.db2.gz HQHNGZIYENSNHE-AWEZNQCLSA-N 0 3 362.478 0.502 20 30 FCEDHN CN(C)C(=O)CN1CCC(NC([O-])=[NH+]C[C@@H]2CCc3nccn3C2)CC1 ZINC000329902424 489047737 /nfs/dbraw/zinc/04/77/37/489047737.db2.gz HQHNGZIYENSNHE-AWEZNQCLSA-N 0 3 362.478 0.502 20 30 FCEDHN CCNC(=O)N1CCN(C(=O)C(C)S(=O)(=O)C2CCOCC2)CC1 ZINC000330055432 489064642 /nfs/dbraw/zinc/06/46/42/489064642.db2.gz UKDHKHWGDRKLCN-LBPRGKRZSA-N 0 3 361.464 0.047 20 30 FCEDHN C[C@@H](CNC(=O)N1CCC(Cn2cncn2)CC1)CN1CCN(C)CC1 ZINC000330183405 489077549 /nfs/dbraw/zinc/07/75/49/489077549.db2.gz HWSDNWPVHWVMBI-INIZCTEOSA-N 0 3 363.510 0.788 20 30 FCEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000330253446 489084754 /nfs/dbraw/zinc/08/47/54/489084754.db2.gz IWMWDWCYXCUCBC-ZIAGYGMSSA-N 0 3 350.463 0.849 20 30 FCEDHN CC1CCN(CCNC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC000330453182 489104316 /nfs/dbraw/zinc/10/43/16/489104316.db2.gz BFPVZMSOHJJYFL-HNNXBMFYSA-N 0 3 360.524 0.894 20 30 FCEDHN CCN1CCCC[C@@H]1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000290819943 489167743 /nfs/dbraw/zinc/16/77/43/489167743.db2.gz OPIAUTFHTOVHQS-OAHLLOKOSA-N 0 3 364.471 0.827 20 30 FCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(C#N)ccc1OCCOC ZINC000293203358 489182050 /nfs/dbraw/zinc/18/20/50/489182050.db2.gz APIJUBPHEIUDQR-UHFFFAOYSA-N 0 3 372.425 0.593 20 30 FCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(-c2nncn2C)c1 ZINC000293235238 489182058 /nfs/dbraw/zinc/18/20/58/489182058.db2.gz CPBOYWMMNLERHZ-UHFFFAOYSA-N 0 3 354.414 0.492 20 30 FCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 ZINC000293195480 489182086 /nfs/dbraw/zinc/18/20/86/489182086.db2.gz ABECNDMNOOZUQB-UHFFFAOYSA-N 0 3 358.398 0.052 20 30 FCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(OC(C)C)c(C(N)=O)c1 ZINC000293255807 489182382 /nfs/dbraw/zinc/18/23/82/489182382.db2.gz DSXVVOIXCHSDNF-UHFFFAOYSA-N 0 3 374.441 0.583 20 30 FCEDHN C=CCN1C(=O)N=NC1S(=O)(=O)C(C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000331186098 489183164 /nfs/dbraw/zinc/18/31/64/489183164.db2.gz NJRNOZHIGDNNRJ-SDDRHHMPSA-N 0 3 356.448 0.836 20 30 FCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(N2CCOC2=O)ccc1C ZINC000293362556 489183453 /nfs/dbraw/zinc/18/34/53/489183453.db2.gz LOSGYBNPURVYQV-UHFFFAOYSA-N 0 3 372.425 0.961 20 30 FCEDHN Cc1cc(NC(=O)C(=O)N2CC[C@]3(C2)CCCN(C)C3)nn1CCC#N ZINC000293499307 489184306 /nfs/dbraw/zinc/18/43/06/489184306.db2.gz XCCUJTDTMNQTKA-GOSISDBHSA-N 0 3 358.446 0.988 20 30 FCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cccnc1OCC(F)F ZINC000293499010 489184802 /nfs/dbraw/zinc/18/48/02/489184802.db2.gz 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C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCn2nc(C)nc2C1)C(C)C ZINC000283660094 489288189 /nfs/dbraw/zinc/28/81/89/489288189.db2.gz BJPTUWYZJRYILG-INIZCTEOSA-N 0 3 374.489 0.744 20 30 FCEDHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000570515967 491246456 /nfs/dbraw/zinc/24/64/56/491246456.db2.gz CEJBPUAJUMNJJW-MRXNPFEDSA-N 0 3 353.430 0.339 20 30 FCEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N(C[C@@H](C)O)[C@@H](C)CO)C(C)C ZINC000283847832 489298177 /nfs/dbraw/zinc/29/81/77/489298177.db2.gz CPIIAONILIEWDU-GVDBMIGSSA-N 0 3 369.506 0.391 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NCCNC(=O)OC(C)(C)C)CC1 ZINC000283909416 489299517 /nfs/dbraw/zinc/29/95/17/489299517.db2.gz JEJZXHQCAQWZNW-UHFFFAOYSA-N 0 3 354.451 0.394 20 30 FCEDHN C[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(C#N)cc1)CN1CCN(C)CC1 ZINC000284235386 489303026 /nfs/dbraw/zinc/30/30/26/489303026.db2.gz JMLJAIVOBDVOQX-INIZCTEOSA-N 0 3 371.485 0.516 20 30 FCEDHN C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)C1=O ZINC000285114630 489316750 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N#Cc1cnn(-c2ccc(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)cc2)c1N ZINC000371515535 489486728 /nfs/dbraw/zinc/48/67/28/489486728.db2.gz AWJORHJQPCNOHO-IAGOWNOFSA-N 0 3 366.425 0.919 20 30 FCEDHN CC(C)(CC#N)CS(=O)(=O)NCC(=O)NCCN1CCCCCC1 ZINC000451582911 489510570 /nfs/dbraw/zinc/51/05/70/489510570.db2.gz WJJOOBKAYWIVOG-UHFFFAOYSA-N 0 3 358.508 0.838 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000451673851 489517573 /nfs/dbraw/zinc/51/75/73/489517573.db2.gz LSAFQNNPSWJAIO-CABCVRRESA-N 0 3 361.508 0.486 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000454638854 489573994 /nfs/dbraw/zinc/57/39/94/489573994.db2.gz BSIGKAMUABZJPN-OAGGEKHMSA-N 0 3 352.479 0.962 20 30 FCEDHN CN1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)[C@H](CN)C1 ZINC000570805422 491265817 /nfs/dbraw/zinc/26/58/17/491265817.db2.gz RRMDBZJLFANEHS-LLVKDONJSA-N 0 3 373.276 0.584 20 30 FCEDHN N#Cc1ccc(NCC(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)nc1 ZINC000428542225 489653166 /nfs/dbraw/zinc/65/31/66/489653166.db2.gz 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CN1CCC(CNC(=O)Nc2cccc(C#N)n2)(N2CCOCC2)CC1 ZINC000563956097 491279255 /nfs/dbraw/zinc/27/92/55/491279255.db2.gz BTUCMXRRCUIYBH-UHFFFAOYSA-N 0 3 358.446 0.871 20 30 FCEDHN CC(C)Nc1nc(NCCO)nc(N[C@H]2CCCc3cc(C#N)ccc32)n1 ZINC000419020215 489820722 /nfs/dbraw/zinc/82/07/22/489820722.db2.gz WIBBCQUQOSHOPZ-INIZCTEOSA-N 0 3 367.457 0.723 20 30 FCEDHN C[C@@H]1CN(CC2CCN(C(=O)NCC(=O)NCC#N)CC2)C[C@@H](C)O1 ZINC000377079792 489849629 /nfs/dbraw/zinc/84/96/29/489849629.db2.gz DHCZBLRHBDPSNM-ZIAGYGMSSA-N 0 3 351.451 0.157 20 30 FCEDHN N#C[C@H]1CN(C(=O)C(=O)N[C@H](CN)C2CC2)CCN1Cc1ccccc1 ZINC000420041379 489890729 /nfs/dbraw/zinc/89/07/29/489890729.db2.gz PYDRWCDICSLBCV-DLBZAZTESA-N 0 3 355.442 0.076 20 30 FCEDHN N#C[C@H]1CN(C(=O)C(=O)N[C@H](CN)c2ccc3ccccc3c2)CCO1 ZINC000420065502 489899963 /nfs/dbraw/zinc/89/99/63/489899963.db2.gz VRDGMWDAKHYPHX-DLBZAZTESA-N 0 3 352.394 0.707 20 30 FCEDHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000420144271 489929553 /nfs/dbraw/zinc/92/95/53/489929553.db2.gz LCANIRYUGBYSGL-INIZCTEOSA-N 0 3 357.458 0.841 20 30 FCEDHN Cc1cc(C)n2nc(NC(=O)C(C#N)c3ccc([N+](=O)[O-])cn3)nc2n1 ZINC000461797761 489939929 /nfs/dbraw/zinc/93/99/29/489939929.db2.gz TYWDMQVZVGSKRD-LLVKDONJSA-N 0 3 352.314 1.290 20 30 FCEDHN C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CNCCC2(F)F)c1 ZINC000420435927 489975898 /nfs/dbraw/zinc/97/58/98/489975898.db2.gz AAFMXHKXPRWSRX-ZDUSSCGKSA-N 0 3 359.398 0.878 20 30 FCEDHN CCN1CCC(NC(=O)CN2CCN(c3nccnc3C#N)C[C@H]2C)CC1 ZINC000464862900 490072006 /nfs/dbraw/zinc/07/20/06/490072006.db2.gz MRAIMMHBIWJMOR-OAHLLOKOSA-N 0 3 371.489 0.459 20 30 FCEDHN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)C[C@H]1CCCN1C ZINC000422046522 490132667 /nfs/dbraw/zinc/13/26/67/490132667.db2.gz ZYEQXFALDDOPBS-DZGCQCFKSA-N 0 3 364.471 0.778 20 30 FCEDHN CS(=O)(=O)N1CCC[C@H](NC[C@@H](O)COc2ccccc2C#N)C1 ZINC000400234766 490172974 /nfs/dbraw/zinc/17/29/74/490172974.db2.gz GHBWQYIKJKZEGH-LSDHHAIUSA-N 0 3 353.444 0.312 20 30 FCEDHN 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COc1ccc(C#N)cc1NC(=O)C(=O)N(CCN(C)C)CCN(C)C ZINC000526131977 490678523 /nfs/dbraw/zinc/67/85/23/490678523.db2.gz LNZURMUJLDSNED-UHFFFAOYSA-N 0 3 361.446 0.457 20 30 FCEDHN CC(C)[C@H](NC[C@H](O)COc1ccc(C#N)cc1)C(=O)N1CCOCC1 ZINC000539358698 490779813 /nfs/dbraw/zinc/77/98/13/490779813.db2.gz QUXBGFTYFBQQTF-WMZOPIPTSA-N 0 3 361.442 0.771 20 30 FCEDHN CC(C)(O)CN1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000528370840 490791535 /nfs/dbraw/zinc/79/15/35/490791535.db2.gz FALDZEORNHKGRL-UHFFFAOYSA-N 0 3 355.438 0.675 20 30 FCEDHN O=C1c2ccccc2C(=O)N1CC#CCN1CC[C@H](CN2CCOCC2)C1 ZINC000528394064 490794256 /nfs/dbraw/zinc/79/42/56/490794256.db2.gz WOLMVGIRZFQSTH-KRWDZBQOSA-N 0 3 367.449 0.940 20 30 FCEDHN N#C[C@@H]1CC[C@H](NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000515033771 490804343 /nfs/dbraw/zinc/80/43/43/490804343.db2.gz IESYQMWNSFCVBC-CVEARBPZSA-N 0 3 363.487 0.815 20 30 FCEDHN C[C@@H]1CN(CC#CCN2C(=O)c3ccccc3C2=O)C[C@H](C)N1CCO ZINC000528522065 490805910 /nfs/dbraw/zinc/80/59/10/490805910.db2.gz 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PYCHPLJDIBPRRV-ZCNNSNEGSA-N 0 3 371.481 0.551 20 30 FCEDHN C#Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2nc(=O)n(C)[n-]2)cn1 ZINC001087237882 1179085276 /nfs/dbraw/zinc/08/52/76/1179085276.db2.gz XICHBGULNWTLGZ-CJNGLKHVSA-N 0 3 368.441 0.515 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1c1ccccc1 ZINC001211592828 1179273074 /nfs/dbraw/zinc/27/30/74/1179273074.db2.gz CLKTUDCNWYGBRR-BHYGNILZSA-N 0 3 365.437 0.745 20 30 FCEDHN CC(C)N1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001023466073 1179771646 /nfs/dbraw/zinc/77/16/46/1179771646.db2.gz POYAKCHUDJXRNO-OWCLPIDISA-N 0 3 359.430 0.061 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCNCC(=O)NC(=O)NCC(C)C ZINC001691481705 1180537125 /nfs/dbraw/zinc/53/71/25/1180537125.db2.gz MBUKLDIEXIREDF-KGLIPLIRSA-N 0 3 354.451 0.107 20 30 FCEDHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1O ZINC001024120676 1180855376 /nfs/dbraw/zinc/85/53/76/1180855376.db2.gz MROKBOOILDOIAM-OWCLPIDISA-N 0 3 359.430 0.062 20 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C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cnn[nH]1)C2 ZINC001109741863 1200499942 /nfs/dbraw/zinc/49/99/42/1200499942.db2.gz WWHOETXYPGOVCH-IKGGRYGDSA-N 0 3 372.473 0.659 20 30 FCEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(=O)NCCCOC)C2 ZINC001109959499 1200636488 /nfs/dbraw/zinc/63/64/88/1200636488.db2.gz NHBGEHCTYHHOIO-IKGGRYGDSA-N 0 3 367.490 0.843 20 30 FCEDHN C=C(C)CN(CC)C(=O)CN1C[C@@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1 ZINC001219802650 1224623039 /nfs/dbraw/zinc/62/30/39/1224623039.db2.gz YOWNDZYIHYUSNW-CVEARBPZSA-N 0 3 366.506 0.057 20 30 FCEDHN CC(C)[C@H](C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@H]1O)N1CCCC1 ZINC001090433342 1200707958 /nfs/dbraw/zinc/70/79/58/1200707958.db2.gz PKQGCIIHBOCPTR-BRWVUGGUSA-N 0 3 357.458 0.739 20 30 FCEDHN C[C@@H](CNC(=O)C(=O)NCCNc1ncccc1C#N)N1CCC[C@@H](C)C1 ZINC000787775835 1200909519 /nfs/dbraw/zinc/90/95/19/1200909519.db2.gz BNMUDQLXALBQOR-CABCVRRESA-N 0 3 372.473 0.718 20 30 FCEDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCNc1ncccc1C#N ZINC000787788466 1200911642 /nfs/dbraw/zinc/91/16/42/1200911642.db2.gz YXJYRJSGDBYNGA-HUUCEWRRSA-N 0 3 372.473 0.718 20 30 FCEDHN C=CC[C@H](NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1)c1ccncc1 ZINC000790186997 1201058127 /nfs/dbraw/zinc/05/81/27/1201058127.db2.gz VOWNFUYWPVEVKQ-AEFFLSMTSA-N 0 3 373.501 0.815 20 30 FCEDHN C=CCCCCCN1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](n2ccnn2)C1 ZINC001129427784 1201304292 /nfs/dbraw/zinc/30/42/92/1201304292.db2.gz KMNNQBNBLUCFBU-CABCVRRESA-N 0 3 363.466 0.424 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)CNC(=O)c2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129400295 1201306512 /nfs/dbraw/zinc/30/65/12/1201306512.db2.gz DPLBFYUKPUPMRJ-SJORKVTESA-N 0 3 368.441 0.626 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)CNC(=O)[C@H](C)CC)[C@@H](n2ccnn2)C1 ZINC001129438062 1201316708 /nfs/dbraw/zinc/31/67/08/1201316708.db2.gz MUVCEQHDCNBPRK-OAGGEKHMSA-N 0 3 362.478 0.748 20 30 FCEDHN C=CCCOCC(=O)N[C@@H]1CN(C[C@@H]2CCCOC2)C[C@@H]1n1ccnn1 ZINC001129476711 1201323292 /nfs/dbraw/zinc/32/32/92/1201323292.db2.gz OQUOQBRJYFSLHA-BBWFWOEESA-N 0 3 363.462 0.639 20 30 FCEDHN C#CCN1C[C@@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129460231 1201325484 /nfs/dbraw/zinc/32/54/84/1201325484.db2.gz HJPYFRHZKVBZQS-FGTMMUONSA-N 0 3 358.490 0.763 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)CCOCC(C)C)C[C@@H]1n1ccnn1 ZINC001129623942 1201357532 /nfs/dbraw/zinc/35/75/32/1201357532.db2.gz CESIFOGGZWQREA-SJORKVTESA-N 0 3 365.478 0.885 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2cc(C)nn2C)C[C@@H]1n1ccnn1 ZINC001129632978 1201358894 /nfs/dbraw/zinc/35/88/94/1201358894.db2.gz AHORBFNVOQUJFL-ZBFHGGJFSA-N 0 3 359.434 0.178 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2cc[nH]c(=O)c2)C[C@@H]1n1ccnn1 ZINC001129737629 1201381797 /nfs/dbraw/zinc/38/17/97/1201381797.db2.gz RQSMQCXGZOUBMY-CABCVRRESA-N 0 3 358.402 0.237 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)C[C@@](C)(O)C2CC2)C[C@@H]1n1ccnn1 ZINC001129754239 1201384402 /nfs/dbraw/zinc/38/44/02/1201384402.db2.gz ZZZXKNJSHFZMBP-SOLBZPMBSA-N 0 3 363.462 0.373 20 30 FCEDHN C=C[C@](C)(O)CC(=O)N1C[C@@H](NCCOCC2CC2)[C@@H](n2ccnn2)C1 ZINC001129795442 1201390613 /nfs/dbraw/zinc/39/06/13/1201390613.db2.gz JGNDXFZJHCCIMA-RYRKJORJSA-N 0 3 363.462 0.373 20 30 FCEDHN C#CCCCC(=O)N1C[C@@H](NCCn2nc(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001129829735 1201403067 /nfs/dbraw/zinc/40/30/67/1201403067.db2.gz NRSAYBCNURYFJH-SJORKVTESA-N 0 3 370.461 0.332 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1C[C@@H](NCc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129829968 1201403659 /nfs/dbraw/zinc/40/36/59/1201403659.db2.gz RCZRFFPUMOYXMV-NXHRZFHOSA-N 0 3 353.426 0.858 20 30 FCEDHN C=C(C)CCC(=O)N1C[C@@H](NCCN2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129879011 1201411683 /nfs/dbraw/zinc/41/16/83/1201411683.db2.gz NUMKKQWIWWVCBM-CABCVRRESA-N 0 3 361.450 0.001 20 30 FCEDHN C=CC(C)(C)CC(=O)N1C[C@@H](NCCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001129876673 1201420382 /nfs/dbraw/zinc/42/03/82/1201420382.db2.gz VSXCUANYNJRTAJ-CABCVRRESA-N 0 3 358.450 0.514 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)COCc2cc[nH]c(=O)c2)C[C@@H]1n1ccnn1 ZINC001129910155 1201422525 /nfs/dbraw/zinc/42/25/25/1201422525.db2.gz GJNSGOLBGVGGOB-CABCVRRESA-N 0 3 358.402 0.123 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@@H]1n1ccnn1 ZINC001129938121 1201437620 /nfs/dbraw/zinc/43/76/20/1201437620.db2.gz NBLJQJPRLTVPBS-AXSMETJDSA-N 0 3 373.457 0.246 20 30 FCEDHN C=C(C)C[C@@H](C)C(=O)N1C[C@@H](NCCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001129976259 1201463842 /nfs/dbraw/zinc/46/38/42/1201463842.db2.gz KFDUDWIEIBYURN-OAGGEKHMSA-N 0 3 358.450 0.514 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2ccnc(C)c2)C[C@@H]1n1ccnn1 ZINC001130047878 1201487514 /nfs/dbraw/zinc/48/75/14/1201487514.db2.gz XUIFRSPTOASIAT-SJORKVTESA-N 0 3 356.430 0.839 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)[C@@]2(C)CCCOC2)C[C@@H]1n1ccnn1 ZINC001130062439 1201488035 /nfs/dbraw/zinc/48/80/35/1201488035.db2.gz FVRAMZCBHAVCEW-RYRKJORJSA-N 0 3 363.462 0.639 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2cc(CC)on2)C[C@@H]1n1ccnn1 ZINC001130096271 1201499192 /nfs/dbraw/zinc/49/91/92/1201499192.db2.gz CIZMXQIAWUFWAL-CVEARBPZSA-N 0 3 360.418 0.686 20 30 FCEDHN C=CCCOCC(=O)N1C[C@@H](NCCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001130151288 1201517503 /nfs/dbraw/zinc/51/75/03/1201517503.db2.gz MJYXBCQTWCJWIS-SJORKVTESA-N 0 3 363.462 0.781 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccnn2CC)[n-]1 ZINC001130204923 1201540565 /nfs/dbraw/zinc/54/05/65/1201540565.db2.gz MWWMVTPFKODHJX-JSGCOSHPSA-N 0 3 357.418 0.046 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2nccc(C)n2)[n-]1 ZINC001130209491 1201543214 /nfs/dbraw/zinc/54/32/14/1201543214.db2.gz COXRNZYBGCQLHY-KBPBESRZSA-N 0 3 369.429 0.319 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(COCC)CC2)[n-]1 ZINC001130220524 1201544101 /nfs/dbraw/zinc/54/41/01/1201544101.db2.gz BKDMNQLALBJDQA-KBPBESRZSA-N 0 3 361.446 0.333 20 30 FCEDHN COCC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C)CC2)[n-]1 ZINC001130216367 1201546890 /nfs/dbraw/zinc/54/68/90/1201546890.db2.gz UXDRMIOSTPIZAT-KBPBESRZSA-N 0 3 361.446 0.333 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CO[C@@H](C)CC)[n-]1 ZINC001130200362 1201547795 /nfs/dbraw/zinc/54/77/95/1201547795.db2.gz JRWMSTVQHLCDHF-KKUMJFAQSA-N 0 3 363.462 0.721 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnc(C)n2C)[n-]1 ZINC001130232721 1201558185 /nfs/dbraw/zinc/55/81/85/1201558185.db2.gz PAKZJXULKCNHLY-ZFWWWQNUSA-N 0 3 371.445 0.262 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccn(C)c2C)[n-]1 ZINC001130232516 1201558450 /nfs/dbraw/zinc/55/84/50/1201558450.db2.gz JORSUKOAENVSRQ-GJZGRUSLSA-N 0 3 356.430 0.477 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cccnc2OC)[n-]1 ZINC001130234788 1201558950 /nfs/dbraw/zinc/55/89/50/1201558950.db2.gz LXRCIGMDNWWTHA-JSGCOSHPSA-N 0 3 370.413 0.234 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccn(C)c2CC)[n-]1 ZINC001130237928 1201560216 /nfs/dbraw/zinc/56/02/16/1201560216.db2.gz KEAPIFNEWDLJBQ-HOCLYGCPSA-N 0 3 370.457 0.731 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)c2ccco2)[n-]1 ZINC001130238006 1201560330 /nfs/dbraw/zinc/56/03/30/1201560330.db2.gz NZHRGSORXLWCSN-IPYPFGDCSA-N 0 3 357.414 0.913 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H]2CCCOC2)[n-]1 ZINC001130249114 1201569279 /nfs/dbraw/zinc/56/92/79/1201569279.db2.gz KEUJLHGLKMSVFL-KKUMJFAQSA-N 0 3 361.446 0.333 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2(C(=O)NC)CC2)CC1 ZINC001130302126 1201580514 /nfs/dbraw/zinc/58/05/14/1201580514.db2.gz PKTSLNSQEKWTBX-ZBFHGGJFSA-N 0 3 362.474 0.174 20 30 FCEDHN C#C[C@H](NC(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1)[C@@H]1CCCO1 ZINC000805943361 1201591222 /nfs/dbraw/zinc/59/12/22/1201591222.db2.gz VBYMSVMLZJFMSC-SZMVWBNQSA-N 0 3 357.454 0.920 20 30 FCEDHN C#C[C@H](NC(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1)[C@@H]1CCCO1 ZINC000805943359 1201591234 /nfs/dbraw/zinc/59/12/34/1201591234.db2.gz VBYMSVMLZJFMSC-NJAFHUGGSA-N 0 3 357.454 0.920 20 30 FCEDHN CC(C)C#CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCc2ccnn2C)C1 ZINC001130583885 1202722830 /nfs/dbraw/zinc/72/28/30/1202722830.db2.gz WQZJCAXXTRQQQE-FUHWJXTLSA-N 0 3 354.458 0.897 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]cn2)C[C@H]1c1cn(C)cn1 ZINC001130689994 1202754690 /nfs/dbraw/zinc/75/46/90/1202754690.db2.gz RCGZGLXXRIANEC-QILLFSRXSA-N 0 3 354.458 0.929 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CNC(=O)c2ccccn2)C[C@H]1c1cn(C)cn1 ZINC001130734250 1202768702 /nfs/dbraw/zinc/76/87/02/1202768702.db2.gz KHHKMSXHLSAFFY-WMLDXEAASA-N 0 3 368.441 0.315 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnn(C)c3C)n[n-]2)O1 ZINC001130759966 1202782299 /nfs/dbraw/zinc/78/22/99/1202782299.db2.gz SWTFXRHDLRDTTP-DZGCQCFKSA-N 0 3 371.445 0.610 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cnn(C)c3C)n2)O1 ZINC001130759966 1202782301 /nfs/dbraw/zinc/78/23/01/1202782301.db2.gz SWTFXRHDLRDTTP-DZGCQCFKSA-N 0 3 371.445 0.610 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cn(C)nc3C)n[n-]2)O1 ZINC001130775222 1202783105 /nfs/dbraw/zinc/78/31/05/1202783105.db2.gz PPPZDQRBXRFZGU-GXTWGEPZSA-N 0 3 357.418 0.220 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cn(C)nc3C)n2)O1 ZINC001130775222 1202783109 /nfs/dbraw/zinc/78/31/09/1202783109.db2.gz PPPZDQRBXRFZGU-GXTWGEPZSA-N 0 3 357.418 0.220 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cn(C)cn3)n[n-]2)O1 ZINC001130772388 1202787259 /nfs/dbraw/zinc/78/72/59/1202787259.db2.gz KPFVLJKYJHZAJY-GXTWGEPZSA-N 0 3 357.418 0.301 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cn(C)cn3)n2)O1 ZINC001130772388 1202787260 /nfs/dbraw/zinc/78/72/60/1202787260.db2.gz KPFVLJKYJHZAJY-GXTWGEPZSA-N 0 3 357.418 0.301 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cccc(=O)[nH]3)n[n-]2)O1 ZINC001130772188 1202787446 /nfs/dbraw/zinc/78/74/46/1202787446.db2.gz CEOVOPOHCXRKFC-WCQYABFASA-N 0 3 356.386 0.278 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](OCC)C3CC3)n[n-]2)O1 ZINC001130785016 1202788943 /nfs/dbraw/zinc/78/89/43/1202788943.db2.gz AUTSHPRLQQVZTN-LZWOXQAQSA-N 0 3 361.446 0.679 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@@H](OCC)C3CC3)n2)O1 ZINC001130785016 1202788947 /nfs/dbraw/zinc/78/89/47/1202788947.db2.gz AUTSHPRLQQVZTN-LZWOXQAQSA-N 0 3 361.446 0.679 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](OCC)C(C)C)n[n-]2)O1 ZINC001130785425 1202789715 /nfs/dbraw/zinc/78/97/15/1202789715.db2.gz LXXCLTAPUVYTAK-SQWLQELKSA-N 0 3 363.462 0.925 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@H](OCC)C(C)C)n2)O1 ZINC001130785425 1202789719 /nfs/dbraw/zinc/78/97/19/1202789719.db2.gz LXXCLTAPUVYTAK-SQWLQELKSA-N 0 3 363.462 0.925 20 30 FCEDHN C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ncccc3[O-])n[nH]2)O1 ZINC001130778219 1202791559 /nfs/dbraw/zinc/79/15/59/1202791559.db2.gz LNHMQVHTYCOTOR-WCQYABFASA-N 0 3 358.402 0.831 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(C)nn3)n[n-]2)O1 ZINC001130781123 1202793076 /nfs/dbraw/zinc/79/30/76/1202793076.db2.gz PGWOGKSRLLSALD-GXTWGEPZSA-N 0 3 355.402 0.276 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3ccc(C)nn3)n2)O1 ZINC001130781123 1202793078 /nfs/dbraw/zinc/79/30/78/1202793078.db2.gz PGWOGKSRLLSALD-GXTWGEPZSA-N 0 3 355.402 0.276 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C)c3cnn(C)c3)n[n-]2)O1 ZINC001130823859 1202804538 /nfs/dbraw/zinc/80/45/38/1202804538.db2.gz YYGXFDMRLSKWIW-AEGPPILISA-N 0 3 371.445 0.401 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@@H](C)c3cnn(C)c3)n2)O1 ZINC001130823859 1202804540 /nfs/dbraw/zinc/80/45/40/1202804540.db2.gz YYGXFDMRLSKWIW-AEGPPILISA-N 0 3 371.445 0.401 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CCO[C@H]3C(=C)C)n[n-]2)O1 ZINC001130812919 1202805425 /nfs/dbraw/zinc/80/54/25/1202805425.db2.gz FUFFSBXDBOELHC-MPTYRVRUSA-N 0 3 373.457 0.845 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@H]3CCO[C@H]3C(=C)C)n2)O1 ZINC001130812919 1202805426 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363.425 0.684 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2cc(OC)n(C)n2)C[C@H]1c1cncn1C ZINC001131028749 1202848836 /nfs/dbraw/zinc/84/88/36/1202848836.db2.gz HHJDRNQHZLZMCH-UKRRQHHQSA-N 0 3 356.430 0.383 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)C[C@H]1c1cncn1C ZINC001131029006 1202849025 /nfs/dbraw/zinc/84/90/25/1202849025.db2.gz VYBIIQQKWTZCQF-ARFHVFGLSA-N 0 3 357.458 0.386 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)CC(=O)NCC(F)(F)F)C[C@H]1c1cncn1C ZINC001131096756 1202862398 /nfs/dbraw/zinc/86/23/98/1202862398.db2.gz NMMWZUKIILELRM-VXGBXAGGSA-N 0 3 371.363 0.006 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2cnc(OC)nc2)C[C@H]1c1cncn1C ZINC001131101395 1202863238 /nfs/dbraw/zinc/86/32/38/1202863238.db2.gz YUBKJXIHJPMOKA-HUUCEWRRSA-N 0 3 354.414 0.440 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCCCN(C)C2=O)C[C@H]1c1cncn1C ZINC001131105889 1202863736 /nfs/dbraw/zinc/86/37/36/1202863736.db2.gz JEZUQMWULVIPJW-BRWVUGGUSA-N 0 3 371.485 0.586 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)CCCN(C)C(C)=O)C[C@H]1c1cncn1C ZINC001131115667 1202864653 /nfs/dbraw/zinc/86/46/53/1202864653.db2.gz STYAADPAJSLPLV-IAGOWNOFSA-N 0 3 359.474 0.586 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@H]1c1cncn1C ZINC001131125589 1202866423 /nfs/dbraw/zinc/86/64/23/1202866423.db2.gz IBZKRCDBSMZTFN-IAGOWNOFSA-N 0 3 354.458 0.694 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@H]2CN(CC)CCO2)C[C@H]1c1cncn1C ZINC001131125772 1202866881 /nfs/dbraw/zinc/86/68/81/1202866881.db2.gz LLGRLFMAXAJKLO-JFIYKMOQSA-N 0 3 359.474 0.048 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)C2(C(=O)NC)CCC2)C[C@H]1c1cncn1C ZINC001131115278 1202867148 /nfs/dbraw/zinc/86/71/48/1202867148.db2.gz IFZZWDUANHMLKO-HUUCEWRRSA-N 0 3 357.458 0.244 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H](C)c2cnn(C)c2)C[C@H]1c1cncn1C ZINC001131138482 1202867565 /nfs/dbraw/zinc/86/75/65/1202867565.db2.gz DOXXXZDUUDDAEP-USXIJHARSA-N 0 3 354.458 0.865 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@H]2CCCN2C(C)=O)C[C@H]1c1cncn1C ZINC001131127801 1202867936 /nfs/dbraw/zinc/86/79/36/1202867936.db2.gz 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C=C[C@](C)(O)CC(=O)N1CCC([C@@H]2OCC[C@H]2NCC(=O)NCC)CC1 ZINC001131483097 1202902012 /nfs/dbraw/zinc/90/20/12/1202902012.db2.gz NUWHPBFIYRAWEL-MNEFBYGVSA-N 0 3 367.490 0.435 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC2(F)F)CC1 ZINC001131490983 1202902558 /nfs/dbraw/zinc/90/25/58/1202902558.db2.gz KPXHLLHUWGNDBT-LZWOXQAQSA-N 0 3 371.428 0.930 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)C#CC(C)C)CC1 ZINC001131496096 1202903631 /nfs/dbraw/zinc/90/36/31/1202903631.db2.gz OYBPYTCMGRWKFB-XLIONFOSSA-N 0 3 359.470 0.381 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC23CC3)CC1 ZINC001131570433 1202915445 /nfs/dbraw/zinc/91/54/45/1202915445.db2.gz GGWQPMPQTGXHGU-UXLLHSPISA-N 0 3 360.458 0.412 20 30 FCEDHN COc1ccc(CNC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)cc1C#N ZINC000809504042 1202931453 /nfs/dbraw/zinc/93/14/53/1202931453.db2.gz FDXIEQBNVYGTIE-CYBMUJFWSA-N 0 3 356.426 0.950 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NCc2cncc(OC)n2)C1 ZINC001086721217 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C=CCN(CCc1ccco1)C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804057539 1219111501 /nfs/dbraw/zinc/11/15/01/1219111501.db2.gz ANPWEAQRPUGMBW-RDJZCZTQSA-N 0 3 361.442 0.816 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)C[C@H]2CCCCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001070083465 1219152706 /nfs/dbraw/zinc/15/27/06/1219152706.db2.gz GJARVFKXKFJOKY-OAGGEKHMSA-N 0 3 360.462 0.645 20 30 FCEDHN CN(C)Cc1cccc(C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)c1 ZINC001070102335 1219178006 /nfs/dbraw/zinc/17/80/06/1219178006.db2.gz DGTQFCNQNQEYMH-SJORKVTESA-N 0 3 353.430 0.519 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccn2ccnc2c1 ZINC001227459288 1225875507 /nfs/dbraw/zinc/87/55/07/1225875507.db2.gz NVZMTPFHGUBHCT-HZPDHXFCSA-N 0 3 353.426 0.714 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cc2[nH]nc3c2CCCC3)C[C@@H]1n1ccnn1 ZINC001070194874 1219287038 /nfs/dbraw/zinc/28/70/38/1219287038.db2.gz QWQFZKAPTNZXLH-SJORKVTESA-N 0 3 355.446 0.650 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc3oc(=O)[nH]c3c2)C[C@@H]1n1ccnn1 ZINC001070213299 1219297252 /nfs/dbraw/zinc/29/72/52/1219297252.db2.gz JSJCSUOLOIPLGQ-KGLIPLIRSA-N 0 3 354.370 0.966 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc3c(c2)N(C)CCO3)C[C@@H]1n1ccnn1 ZINC001070217835 1219300441 /nfs/dbraw/zinc/30/04/41/1219300441.db2.gz VBZSZNALQKYDOI-WBVHZDCISA-N 0 3 368.441 0.948 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cnc3ccc(OC)nn32)C[C@@H]1n1ccnn1 ZINC001070220218 1219302814 /nfs/dbraw/zinc/30/28/14/1219302814.db2.gz DGVKMKTXQCLCOJ-OCCSQVGLSA-N 0 3 368.401 0.171 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2c[nH]nc2[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001070242564 1219313643 /nfs/dbraw/zinc/31/36/43/1219313643.db2.gz IDPSWNSDHFYEKO-CFVMTHIKSA-N 0 3 357.418 0.346 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccnc3[nH]c(CC)nc32)C[C@@H]1n1ccnn1 ZINC001070243947 1219315014 /nfs/dbraw/zinc/31/50/14/1219315014.db2.gz UZTGBCUYZZAWJV-KGLIPLIRSA-N 0 3 366.429 0.953 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cc(-n3cccn3)ccn2)C[C@@H]1n1ccnn1 ZINC001070271296 1219339561 /nfs/dbraw/zinc/33/95/61/1219339561.db2.gz KDRKOIUFNUYGCE-SJORKVTESA-N 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C=CCN[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3CO2)C[C@@H]1n1ccnn1 ZINC001070319994 1219373243 /nfs/dbraw/zinc/37/32/43/1219373243.db2.gz SBDDLDYMXFHFSP-SQNIBIBYSA-N 0 3 353.426 0.947 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1c(C)c(C)n[nH]c1=O ZINC001227879082 1225889177 /nfs/dbraw/zinc/88/91/77/1225889177.db2.gz WZEWCRNREAIORO-ZIAGYGMSSA-N 0 3 359.430 0.179 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cnn(C)c2N)CC1 ZINC001070370982 1219401624 /nfs/dbraw/zinc/40/16/24/1219401624.db2.gz WHTICLSNWFXHMZ-ZBFHGGJFSA-N 0 3 360.462 0.277 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@]2(F)CCOC2)CC1 ZINC001070377386 1219404924 /nfs/dbraw/zinc/40/49/24/1219404924.db2.gz UZNAALFSVAIXJK-AYBZRNKSSA-N 0 3 365.449 0.614 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2ccncn2)CC1 ZINC001070381490 1219406503 /nfs/dbraw/zinc/40/65/03/1219406503.db2.gz DDVLZCUNHGUECX-QAPCUYQASA-N 0 3 355.442 0.589 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](CCC)OC ZINC001227926130 1225890673 /nfs/dbraw/zinc/89/06/73/1225890673.db2.gz XUPHIMQKUZQSOW-RBSFLKMASA-N 0 3 368.478 0.830 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2nnn(C(C)(C)C)n2)C[C@H]1c1cn(C)cn1 ZINC001070495067 1219438924 /nfs/dbraw/zinc/43/89/24/1219438924.db2.gz ZQOPOPLJVFLHFG-GXTWGEPZSA-N 0 3 358.450 0.545 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2CCCc3nn[nH]c32)C[C@H]1c1cn(C)cn1 ZINC001070525979 1219453430 /nfs/dbraw/zinc/45/34/30/1219453430.db2.gz KNZIBOMNELXJIO-DVOMOZLQSA-N 0 3 355.446 0.728 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)[nH]c3n2)C[C@H]1c1cn(C)cn1 ZINC001070526330 1219454411 /nfs/dbraw/zinc/45/44/11/1219454411.db2.gz DPBULFZBEMNHIW-XHDPSFHLSA-N 0 3 367.413 0.781 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2CCN(C(=O)CC)C2)C[C@H]1c1cn(C)cn1 ZINC001070552921 1219466562 /nfs/dbraw/zinc/46/65/62/1219466562.db2.gz QQYBSUJOPMLFGR-YQQAZPJKSA-N 0 3 359.474 0.749 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)Cc2c(C)nc(C)[nH]c2=O)C[C@H]1c1cn(C)cn1 ZINC001070562461 1219470870 /nfs/dbraw/zinc/47/08/70/1219470870.db2.gz 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362.474 0.320 20 30 FCEDHN C=C(C)Cn1c(Cn2cnc(C#N)n2)nnc1N1CCN(CC2CC2)CC1 ZINC001514880561 1265380861 /nfs/dbraw/zinc/38/08/61/1265380861.db2.gz AYNTYFZIPBHIPS-UHFFFAOYSA-N 0 3 367.461 0.898 20 30 FCEDHN C#CCOCCNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001332835421 1266489665 /nfs/dbraw/zinc/48/96/65/1266489665.db2.gz MFMFORROJDAIFI-KRWDZBQOSA-N 0 3 360.458 0.238 20 30 FCEDHN CC(C)(C)OC(=O)CCCC(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC001523914365 1266668570 /nfs/dbraw/zinc/66/85/70/1266668570.db2.gz ZCOPGNKWKZNLCF-GFCCVEGCSA-N 0 3 372.443 0.464 20 30 FCEDHN C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N(C)CCNS(C)(=O)=O ZINC001524380974 1266702842 /nfs/dbraw/zinc/70/28/42/1266702842.db2.gz ZTYKUWKMBXQRQP-AWEZNQCLSA-N 0 3 370.523 0.649 20 30 FCEDHN C[C@H](C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1)n1cnc(C#N)n1 ZINC001533695230 1267234713 /nfs/dbraw/zinc/23/47/13/1267234713.db2.gz MTTIIENGZBTEIP-CYBMUJFWSA-N 0 3 359.434 0.043 20 30 FCEDHN C=CCn1c(CCc2nnn[n-]2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001338722352 1268061821 /nfs/dbraw/zinc/06/18/21/1268061821.db2.gz JHGUHSIKMGRLCX-AWEZNQCLSA-N 0 3 359.482 0.931 20 30 FCEDHN C=CCn1c(CCc2nnn[n-]2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC001338722352 1268061830 /nfs/dbraw/zinc/06/18/30/1268061830.db2.gz JHGUHSIKMGRLCX-AWEZNQCLSA-N 0 3 359.482 0.931 20 30 FCEDHN C=CCn1c(CCc2nn[n-]n2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001338722352 1268061842 /nfs/dbraw/zinc/06/18/42/1268061842.db2.gz JHGUHSIKMGRLCX-AWEZNQCLSA-N 0 3 359.482 0.931 20 30 FCEDHN C=CCn1c(CCc2nn[n-]n2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC001338722352 1268061852 /nfs/dbraw/zinc/06/18/52/1268061852.db2.gz JHGUHSIKMGRLCX-AWEZNQCLSA-N 0 3 359.482 0.931 20 30 FCEDHN C=CCn1c(-c2cnc[nH]c2=O)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001338963484 1268131159 /nfs/dbraw/zinc/13/11/59/1268131159.db2.gz MZFIJSAXDDBFCN-AWEZNQCLSA-N 0 3 371.445 0.785 20 30 FCEDHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)CC#N)n2C)CC1 ZINC001339037725 1268154917 /nfs/dbraw/zinc/15/49/17/1268154917.db2.gz YLXJBAWBWAFEAK-CQSZACIVSA-N 0 3 359.478 0.749 20 30 FCEDHN C[C@H](CCC#N)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C ZINC001340072803 1268426303 /nfs/dbraw/zinc/42/63/03/1268426303.db2.gz KSDDNTVUTZHAKQ-OAHLLOKOSA-N 0 3 359.478 0.967 20 30 FCEDHN C=CCn1c([C@H](O)COC)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001340659098 1268617000 /nfs/dbraw/zinc/61/70/00/1268617000.db2.gz LLIUDEHXODXSOI-MRXNPFEDSA-N 0 3 365.478 0.693 20 30 FCEDHN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC001341181699 1268839083 /nfs/dbraw/zinc/83/90/83/1268839083.db2.gz KHCFRLJCQLPYQF-NUJGCVRESA-N 0 3 368.437 0.641 20 30 FCEDHN C=CC1CCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001341442885 1268998561 /nfs/dbraw/zinc/99/85/61/1268998561.db2.gz NACOWDMLUXMIQF-MRXNPFEDSA-N 0 3 364.490 0.470 20 30 FCEDHN C=C[C@@H](COC)NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001341461779 1269013614 /nfs/dbraw/zinc/01/36/14/1269013614.db2.gz YUNHMKMNZTWIMH-RDJZCZTQSA-N 0 3 362.474 0.789 20 30 FCEDHN Cn1c(C#N)ccc1-c1nnc(N2CCC(N3CCN(C)CC3)CC2)n1C ZINC001341524022 1269053149 /nfs/dbraw/zinc/05/31/49/1269053149.db2.gz ACEZQGLUPIJOER-UHFFFAOYSA-N 0 3 368.489 0.908 20 30 FCEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC001341718834 1269168523 /nfs/dbraw/zinc/16/85/23/1269168523.db2.gz NUHKNJJWUJKPOT-HUUCEWRRSA-N 0 3 359.492 0.323 20 30 FCEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2cn(CC(=O)N(C)C)nn2)cc1 ZINC001342537853 1269505034 /nfs/dbraw/zinc/50/50/34/1269505034.db2.gz JMIAKIUZRBGEHS-ZDUSSCGKSA-N 0 3 370.369 0.336 20 30 FCEDHN C=C(C)Cn1c([C@@H](C)O)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001343554268 1269944411 /nfs/dbraw/zinc/94/44/11/1269944411.db2.gz CZGHCWWWGMSADH-OAHLLOKOSA-N 0 3 362.478 0.652 20 30 FCEDHN C=C(C)Cn1c(N2C[C@@H]3[C@@H](N)CS(=O)(=O)[C@H]3C2)nnc1C(C)(C)C ZINC001574845042 1271593100 /nfs/dbraw/zinc/59/31/00/1271593100.db2.gz VDTZDNMBQLHMOS-AGIUHOORSA-N 0 3 353.492 0.712 20 30 FCEDHN C#CCN(C(=O)c1cnn(CCF)c1)C1CCN(CCc2cn[nH]n2)CC1 ZINC001574928523 1271679745 /nfs/dbraw/zinc/67/97/45/1271679745.db2.gz OQBONWZXNDMKCQ-UHFFFAOYSA-N 0 3 373.436 0.753 20 30 FCEDHN C=CCNC(=O)Cn1c([C@@H]2CCCN2)nnc1N(C)CCc1cnccn1 ZINC001574935972 1271682010 /nfs/dbraw/zinc/68/20/10/1271682010.db2.gz FCOCUPSZLRGFCS-HNNXBMFYSA-N 0 3 370.461 0.474 20 30 FCEDHN C=CCn1c([C@H]2COCCN2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001574955295 1271686224 /nfs/dbraw/zinc/68/62/24/1271686224.db2.gz XJOZMACEVKELQR-MRXNPFEDSA-N 0 3 362.478 0.426 20 30 FCEDHN CC#CC[C@@H](N)C(=O)N1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC001574961943 1271687051 /nfs/dbraw/zinc/68/70/51/1271687051.db2.gz BQLMUKDNKIHASH-HZPDHXFCSA-N 0 3 350.440 0.731 20 30 FCEDHN C=C(Cl)CN[C@@]1(CO)CCCN(C(=O)[C@@H](C)OCc2c[nH]nn2)C1 ZINC001575058390 1271703393 /nfs/dbraw/zinc/70/33/93/1271703393.db2.gz ABALOAPIQAXFPG-DOMZBBRYSA-N 0 3 357.842 0.405 20 30 FCEDHN C=CCCC(=O)NC[C@@]1(C)CCCN([C@H](C)C(=O)NCc2c[nH]nn2)C1 ZINC001575084904 1271713773 /nfs/dbraw/zinc/71/37/73/1271713773.db2.gz BYAKFQZHAICHPB-RDTXWAMCSA-N 0 3 362.478 0.994 20 30 FCEDHN C=CCCN1CCC(N(Cc2cn[nH]n2)C(=O)[C@@H](C)S(C)(=O)=O)CC1 ZINC001575097781 1271717120 /nfs/dbraw/zinc/71/71/20/1271717120.db2.gz QPZDKZJUGSDRLW-CYBMUJFWSA-N 0 3 369.491 0.607 20 30 FCEDHN C=CCN1CC[C@H](N[C@@H](C)CNC(=O)c2ccc(-c3c[nH]nn3)cn2)C1=O ZINC001575103403 1271719944 /nfs/dbraw/zinc/71/99/44/1271719944.db2.gz BJQFKDCEUUFGED-WFASDCNBSA-N 0 3 369.429 0.362 20 30 FCEDHN C=CCN1CC[C@H](NC[C@H](C)NC(=O)c2ccc(-c3c[nH]nn3)cc2)C1=O ZINC001575104404 1271721513 /nfs/dbraw/zinc/72/15/13/1271721513.db2.gz QPMAEMQDOISTHD-BBRMVZONSA-N 0 3 368.441 0.967 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)c1ccc(-c2c[nH]nn2)cn1 ZINC001575104426 1271721726 /nfs/dbraw/zinc/72/17/26/1271721726.db2.gz QXNKLPDMFFQHJZ-OLZOCXBDSA-N 0 3 371.445 0.608 20 30 FCEDHN C[C@H](C(=O)NCc1cn[nH]n1)N1CCC(C)(CNC(=O)C#CC2CC2)CC1 ZINC001575221652 1271808905 /nfs/dbraw/zinc/80/89/05/1271808905.db2.gz UNOZIKNPJKKUOU-CQSZACIVSA-N 0 3 372.473 0.441 20 30 FCEDHN C[C@H](C(=O)NCc1c[nH]nn1)N1CCC(C)(CNC(=O)C#CC2CC2)CC1 ZINC001575221652 1271808921 /nfs/dbraw/zinc/80/89/21/1271808921.db2.gz UNOZIKNPJKKUOU-CQSZACIVSA-N 0 3 372.473 0.441 20 30 FCEDHN C[C@]1(CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CNCCO1 ZINC001576511653 1273388307 /nfs/dbraw/zinc/38/83/07/1273388307.db2.gz ZBPBAVRTVFXHFJ-PKOBYXMFSA-N 0 3 357.458 0.784 20 30 FCEDHN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ncccc1CN ZINC001576816846 1273735416 /nfs/dbraw/zinc/73/54/16/1273735416.db2.gz XAMOQEJMFAGBNR-LBPRGKRZSA-N 0 3 352.402 0.945 20 30 FCEDHN CN(CCNCc1cc(F)ccc1C#N)C(=O)CCOCc1c[nH]nn1 ZINC001576834482 1273761500 /nfs/dbraw/zinc/76/15/00/1273761500.db2.gz RMFJEGGLASHLOV-UHFFFAOYSA-N 0 3 360.393 0.970 20 30 FCEDHN CCS(=O)(=O)CCn1c([C@@H]2CCCN2)nnc1N(C)C[C@@H](C)C#N ZINC001578207618 1275499099 /nfs/dbraw/zinc/49/90/99/1275499099.db2.gz HMJIJAXUEOVIQD-STQMWFEESA-N 0 3 354.480 0.733 20 30 FCEDHN N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCCCC2)CCO1 ZINC001712884220 1287252398 /nfs/dbraw/zinc/25/23/98/1287252398.db2.gz IMHMBELRJAVRSJ-LSDHHAIUSA-N 0 3 373.461 0.444 20 30 FCEDHN CN(c1cnc(-c2nnn[n-]2)c(C#N)n1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001579349826 1277205901 /nfs/dbraw/zinc/20/59/01/1277205901.db2.gz TZYWGEOWKYDSJN-ZDUSSCGKSA-N 0 3 368.449 0.133 20 30 FCEDHN CN(c1cnc(-c2nnn[n-]2)c(C#N)n1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001579349826 1277205902 /nfs/dbraw/zinc/20/59/02/1277205902.db2.gz TZYWGEOWKYDSJN-ZDUSSCGKSA-N 0 3 368.449 0.133 20 30 FCEDHN COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001579617449 1277662733 /nfs/dbraw/zinc/66/27/33/1277662733.db2.gz DCELQFUCJYEMKJ-ZIAGYGMSSA-N 0 3 357.418 0.475 20 30 FCEDHN C[C@@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)c1cc(C#N)c[nH]1 ZINC001580280136 1278079555 /nfs/dbraw/zinc/07/95/55/1278079555.db2.gz XLNUGZIOLIHEAW-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)c1cc(C#N)c[nH]1 ZINC001580280136 1278079562 /nfs/dbraw/zinc/07/95/62/1278079562.db2.gz XLNUGZIOLIHEAW-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN C#CCCCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588336152 1282429588 /nfs/dbraw/zinc/42/95/88/1282429588.db2.gz IWABCQBGRCNFJB-AWEZNQCLSA-N 0 3 374.420 0.718 20 30 FCEDHN C#CCCCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588336152 1282429594 /nfs/dbraw/zinc/42/95/94/1282429594.db2.gz IWABCQBGRCNFJB-AWEZNQCLSA-N 0 3 374.420 0.718 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001588354816 1282448607 /nfs/dbraw/zinc/44/86/07/1282448607.db2.gz ABHHOIDCKWGFOQ-WFASDCNBSA-N 0 3 372.404 0.735 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001588354816 1282448610 /nfs/dbraw/zinc/44/86/10/1282448610.db2.gz ABHHOIDCKWGFOQ-WFASDCNBSA-N 0 3 372.404 0.735 20 30 FCEDHN C#CCNC(=O)CC[N@@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC001588354646 1282449864 /nfs/dbraw/zinc/44/98/64/1282449864.db2.gz UBFGOMQPOIZCSE-UHFFFAOYSA-N 0 3 353.430 0.518 20 30 FCEDHN C#CCNC(=O)CC[N@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC001588354646 1282449871 /nfs/dbraw/zinc/44/98/71/1282449871.db2.gz UBFGOMQPOIZCSE-UHFFFAOYSA-N 0 3 353.430 0.518 20 30 FCEDHN C#CCNC(=O)CC[N@@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC001588354646 1282449874 /nfs/dbraw/zinc/44/98/74/1282449874.db2.gz UBFGOMQPOIZCSE-UHFFFAOYSA-N 0 3 353.430 0.518 20 30 FCEDHN C#CCNC(=O)CC[N@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC001588354646 1282449879 /nfs/dbraw/zinc/44/98/79/1282449879.db2.gz UBFGOMQPOIZCSE-UHFFFAOYSA-N 0 3 353.430 0.518 20 30 FCEDHN C#CC[NH2+]CCCOC1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001588353780 1282449980 /nfs/dbraw/zinc/44/99/80/1282449980.db2.gz GDZYKPDNEQWOSP-UHFFFAOYSA-N 0 3 357.418 0.429 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588357150 1282463394 /nfs/dbraw/zinc/46/33/94/1282463394.db2.gz JIAHTOWKRJPJGM-DZKIICNBSA-N 0 3 368.441 0.889 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001588357150 1282463397 /nfs/dbraw/zinc/46/33/97/1282463397.db2.gz JIAHTOWKRJPJGM-DZKIICNBSA-N 0 3 368.441 0.889 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001588358391 1282468292 /nfs/dbraw/zinc/46/82/92/1282468292.db2.gz WPLIMEAWQZFPGJ-OLZOCXBDSA-N 0 3 372.429 0.508 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001588358391 1282468298 /nfs/dbraw/zinc/46/82/98/1282468298.db2.gz WPLIMEAWQZFPGJ-OLZOCXBDSA-N 0 3 372.429 0.508 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588358484 1282471356 /nfs/dbraw/zinc/47/13/56/1282471356.db2.gz XTOCDRQINDXLOP-QRTARXTBSA-N 0 3 368.441 0.889 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588358484 1282471362 /nfs/dbraw/zinc/47/13/62/1282471362.db2.gz XTOCDRQINDXLOP-QRTARXTBSA-N 0 3 368.441 0.889 20 30 FCEDHN C#CCOCCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588359780 1282477095 /nfs/dbraw/zinc/47/70/95/1282477095.db2.gz YIOMZGUZBAQPPM-QGZVFWFLSA-N 0 3 368.441 0.987 20 30 FCEDHN C#CCOCCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588359780 1282477098 /nfs/dbraw/zinc/47/70/98/1282477098.db2.gz YIOMZGUZBAQPPM-QGZVFWFLSA-N 0 3 368.441 0.987 20 30 FCEDHN C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCO1 ZINC001588424493 1282504042 /nfs/dbraw/zinc/50/40/42/1282504042.db2.gz KTXUAOZGVCLWFC-AWEZNQCLSA-N 0 3 359.434 0.982 20 30 FCEDHN C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCO1 ZINC001588424493 1282504050 /nfs/dbraw/zinc/50/40/50/1282504050.db2.gz KTXUAOZGVCLWFC-AWEZNQCLSA-N 0 3 359.434 0.982 20 30 FCEDHN C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCO1 ZINC001588424494 1282504775 /nfs/dbraw/zinc/50/47/75/1282504775.db2.gz KTXUAOZGVCLWFC-CQSZACIVSA-N 0 3 359.434 0.982 20 30 FCEDHN C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCO1 ZINC001588424494 1282504782 /nfs/dbraw/zinc/50/47/82/1282504782.db2.gz KTXUAOZGVCLWFC-CQSZACIVSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CC(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001588475723 1282517617 /nfs/dbraw/zinc/51/76/17/1282517617.db2.gz RDLJABQXDSDORQ-ZDUSSCGKSA-N 0 3 362.409 0.785 20 30 FCEDHN C=CC(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001588475723 1282517629 /nfs/dbraw/zinc/51/76/29/1282517629.db2.gz RDLJABQXDSDORQ-ZDUSSCGKSA-N 0 3 362.409 0.785 20 30 FCEDHN C=C[C@](C)(O)CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588500244 1282531366 /nfs/dbraw/zinc/53/13/66/1282531366.db2.gz TXNPKNKYKSDEKV-YJBOKZPZSA-N 0 3 374.445 0.103 20 30 FCEDHN C=C[C@](C)(O)CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588500244 1282531376 /nfs/dbraw/zinc/53/13/76/1282531376.db2.gz TXNPKNKYKSDEKV-YJBOKZPZSA-N 0 3 374.445 0.103 20 30 FCEDHN C=CCCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588561847 1282567494 /nfs/dbraw/zinc/56/74/94/1282567494.db2.gz DIGSVZJLXCVCTI-ZDUSSCGKSA-N 0 3 362.409 0.881 20 30 FCEDHN C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](OC)C1 ZINC001588577050 1282571342 /nfs/dbraw/zinc/57/13/42/1282571342.db2.gz BCFMJTORSZTVML-KCPJHIHWSA-N 0 3 359.434 0.979 20 30 FCEDHN C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](OC)C1 ZINC001588577050 1282571349 /nfs/dbraw/zinc/57/13/49/1282571349.db2.gz BCFMJTORSZTVML-KCPJHIHWSA-N 0 3 359.434 0.979 20 30 FCEDHN C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](OC)C1 ZINC001588577050 1282571360 /nfs/dbraw/zinc/57/13/60/1282571360.db2.gz BCFMJTORSZTVML-KCPJHIHWSA-N 0 3 359.434 0.979 20 30 FCEDHN C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](OC)C1 ZINC001588577050 1282571365 /nfs/dbraw/zinc/57/13/65/1282571365.db2.gz BCFMJTORSZTVML-KCPJHIHWSA-N 0 3 359.434 0.979 20 30 FCEDHN C=CCC[C@H](C)[NH2+]C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001588577012 1282572509 /nfs/dbraw/zinc/57/25/09/1282572509.db2.gz AEQCHODGKZCSNG-STQMWFEESA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCC[C@H](C)[NH2+]C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001588577012 1282572520 /nfs/dbraw/zinc/57/25/20/1282572520.db2.gz AEQCHODGKZCSNG-STQMWFEESA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](OC)C1 ZINC001588578194 1282574051 /nfs/dbraw/zinc/57/40/51/1282574051.db2.gz YLNYVOKBOQVAMU-KCPJHIHWSA-N 0 3 359.434 0.979 20 30 FCEDHN C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](OC)C1 ZINC001588578194 1282574060 /nfs/dbraw/zinc/57/40/60/1282574060.db2.gz YLNYVOKBOQVAMU-KCPJHIHWSA-N 0 3 359.434 0.979 20 30 FCEDHN C=CCCC[NH2+][C@H](C)[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001588601223 1282582567 /nfs/dbraw/zinc/58/25/67/1282582567.db2.gz ZPGLWZKKJLPOPF-IUODEOHRSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCCC[NH2+][C@H](C)[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001588601223 1282582579 /nfs/dbraw/zinc/58/25/79/1282582579.db2.gz ZPGLWZKKJLPOPF-IUODEOHRSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC001588634989 1282601732 /nfs/dbraw/zinc/60/17/32/1282601732.db2.gz AZNMEHDVBQYHKN-UHFFFAOYSA-N 0 3 371.445 0.577 20 30 FCEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC001588634989 1282601741 /nfs/dbraw/zinc/60/17/41/1282601741.db2.gz AZNMEHDVBQYHKN-UHFFFAOYSA-N 0 3 371.445 0.577 20 30 FCEDHN C=CCN1CC[C@H]([NH2+][C@H](C)CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1=O ZINC001588657804 1282607388 /nfs/dbraw/zinc/60/73/88/1282607388.db2.gz XIYIWLFYPZSUHU-YPMHNXCESA-N 0 3 372.433 0.080 20 30 FCEDHN C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001588657801 1282608021 /nfs/dbraw/zinc/60/80/21/1282608021.db2.gz XHYXFAKZWRMZNB-LLVKDONJSA-N 0 3 372.433 0.080 20 30 FCEDHN C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001588657801 1282608034 /nfs/dbraw/zinc/60/80/34/1282608034.db2.gz XHYXFAKZWRMZNB-LLVKDONJSA-N 0 3 372.433 0.080 20 30 FCEDHN C=CCN1CCC([NH2+]C[C@H](O)COc2ccccc2-c2nnn[n-]2)CC1 ZINC001588657732 1282609838 /nfs/dbraw/zinc/60/98/38/1282609838.db2.gz VHMCYYQAUCCEPS-HNNXBMFYSA-N 0 3 358.446 0.846 20 30 FCEDHN C=CCN1CCC([NH2+]C[C@H](O)COc2ccccc2-c2nn[n-]n2)CC1 ZINC001588657732 1282609847 /nfs/dbraw/zinc/60/98/47/1282609847.db2.gz VHMCYYQAUCCEPS-HNNXBMFYSA-N 0 3 358.446 0.846 20 30 FCEDHN C=CCOCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588682122 1282641974 /nfs/dbraw/zinc/64/19/74/1282641974.db2.gz BSPNOSQWDDWQFP-CHWSQXEVSA-N 0 3 359.434 0.838 20 30 FCEDHN C=CCOCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588682122 1282641988 /nfs/dbraw/zinc/64/19/88/1282641988.db2.gz BSPNOSQWDDWQFP-CHWSQXEVSA-N 0 3 359.434 0.838 20 30 FCEDHN C=CCOCC[N@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C ZINC001588682994 1282647075 /nfs/dbraw/zinc/64/70/75/1282647075.db2.gz MPANJNKVOOUFDV-QWHCGFSZSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C ZINC001588682994 1282647087 /nfs/dbraw/zinc/64/70/87/1282647087.db2.gz MPANJNKVOOUFDV-QWHCGFSZSA-N 0 3 359.434 0.980 20 30 FCEDHN C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@@H]2C1 ZINC001588928549 1282729389 /nfs/dbraw/zinc/72/93/89/1282729389.db2.gz HMVSQDDFQIVZSB-AEGPPILISA-N 0 3 351.414 0.917 20 30 FCEDHN C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@@H]2C1 ZINC001588928549 1282729397 /nfs/dbraw/zinc/72/93/97/1282729397.db2.gz HMVSQDDFQIVZSB-AEGPPILISA-N 0 3 351.414 0.917 20 30 FCEDHN C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[n-]n3)C[C@@H]2C1 ZINC001588928549 1282729409 /nfs/dbraw/zinc/72/94/09/1282729409.db2.gz HMVSQDDFQIVZSB-AEGPPILISA-N 0 3 351.414 0.917 20 30 FCEDHN C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3-c3nn[n-]n3)C[C@@H]2C1 ZINC001588928549 1282729419 /nfs/dbraw/zinc/72/94/19/1282729419.db2.gz HMVSQDDFQIVZSB-AEGPPILISA-N 0 3 351.414 0.917 20 30 FCEDHN CC(C)(C)C#CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001589068228 1282792606 /nfs/dbraw/zinc/79/26/06/1282792606.db2.gz MXFJTESARHIYCL-ZDUSSCGKSA-N 0 3 374.420 0.622 20 30 FCEDHN CC(C)(C)C#CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001589068228 1282792615 /nfs/dbraw/zinc/79/26/15/1282792615.db2.gz MXFJTESARHIYCL-ZDUSSCGKSA-N 0 3 374.420 0.622 20 30 FCEDHN CN(CC[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c[nH]c(C#N)c1 ZINC001591105234 1284177174 /nfs/dbraw/zinc/17/71/74/1284177174.db2.gz ZDBWTAWBMOLIEX-UHFFFAOYSA-N 0 3 350.386 0.928 20 30 FCEDHN CN(CC[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1c[nH]c(C#N)c1 ZINC001591105234 1284177182 /nfs/dbraw/zinc/17/71/82/1284177182.db2.gz ZDBWTAWBMOLIEX-UHFFFAOYSA-N 0 3 350.386 0.928 20 30 FCEDHN COCC#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001591363070 1284499872 /nfs/dbraw/zinc/49/98/72/1284499872.db2.gz YXOWIGCMRRQEKE-CJNGLKHVSA-N 0 3 371.445 0.675 20 30 FCEDHN COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)cc1-c1nnn[n-]1 ZINC001605284338 1287922796 /nfs/dbraw/zinc/92/27/96/1287922796.db2.gz SIVHTBLXIATLAF-JSGCOSHPSA-N 0 3 369.429 0.973 20 30 FCEDHN COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)cc1-c1nn[n-]n1 ZINC001605284338 1287922801 /nfs/dbraw/zinc/92/28/01/1287922801.db2.gz SIVHTBLXIATLAF-JSGCOSHPSA-N 0 3 369.429 0.973 20 30 FCEDHN CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCCC1 ZINC001723591586 1288425988 /nfs/dbraw/zinc/42/59/88/1288425988.db2.gz XPOVFQJIISPLFW-KRWDZBQOSA-N 0 3 363.441 0.954 20 30 FCEDHN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CCN(CCn2cncn2)[C@@H]1CC ZINC001692016056 1289365234 /nfs/dbraw/zinc/36/52/34/1289365234.db2.gz SUMOACKKLVDORS-GVDBMIGSSA-N 0 3 362.478 0.718 20 30 FCEDHN C#CCNC(=O)[C@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)CCn1ccnc1 ZINC001692079115 1289384616 /nfs/dbraw/zinc/38/46/16/1289384616.db2.gz BNOMJVAGIAIPKU-IKGGRYGDSA-N 0 3 359.474 0.628 20 30 FCEDHN C=CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1coc(OC)n1 ZINC001692079241 1289385487 /nfs/dbraw/zinc/38/54/87/1289385487.db2.gz GZJNWSLVZHZKBO-OLZOCXBDSA-N 0 3 350.419 0.816 20 30 FCEDHN C=CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1cncc(OC)n1 ZINC001692087414 1289394532 /nfs/dbraw/zinc/39/45/32/1289394532.db2.gz BAQVJICGQXMCKH-KGLIPLIRSA-N 0 3 361.446 0.618 20 30 FCEDHN N#Cc1cc(C(=O)N2C[C@H]3CCN(CCNC(=O)C4CC4)C[C@H]3C2)c[nH]1 ZINC001692260107 1289437676 /nfs/dbraw/zinc/43/76/76/1289437676.db2.gz WOCUSSDIVXFSNW-ZBFHGGJFSA-N 0 3 355.442 0.806 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(CC(=O)NCCC)C[C@H]2C1 ZINC001692267118 1289439579 /nfs/dbraw/zinc/43/95/79/1289439579.db2.gz DZJLCYLLLSCUHX-SQNIBIBYSA-N 0 3 360.502 0.391 20 30 FCEDHN C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)CCCn3ccnc3C)C[C@@H]2C1 ZINC001692284326 1289443345 /nfs/dbraw/zinc/44/33/45/1289443345.db2.gz NSNIYASBVVZVNK-MSOLQXFVSA-N 0 3 371.485 0.501 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](O)CNCc1cc(=O)c(OC)co1 ZINC001699064852 1289544914 /nfs/dbraw/zinc/54/49/14/1289544914.db2.gz ZVUAIEUTGWZRKP-JDFRZJQESA-N 0 3 366.414 0.196 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](O)CNCc1c(C)nnn1CC ZINC001699064266 1289545027 /nfs/dbraw/zinc/54/50/27/1289545027.db2.gz XZWWFMSQRJNSJV-YCPHGPKFSA-N 0 3 351.451 0.154 20 30 FCEDHN CCN(CCNCc1ccc(F)c(C#N)c1)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001699204187 1289548429 /nfs/dbraw/zinc/54/84/29/1289548429.db2.gz BBGRBWKWJVVILQ-JKSUJKDBSA-N 0 3 362.405 0.668 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)NCC(=O)NC(=O)NC(C)(C)C ZINC001752902088 1290615689 /nfs/dbraw/zinc/61/56/89/1290615689.db2.gz WWNWWSNWDGURFN-XQQFMLRXSA-N 0 3 354.451 0.296 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)NC1CCOCC1 ZINC001752905402 1290616510 /nfs/dbraw/zinc/61/65/10/1290616510.db2.gz PYSKUTDBJYFMQJ-KMFMINBZSA-N 0 3 353.463 0.357 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)NC1CCOCC1 ZINC001752905403 1290616540 /nfs/dbraw/zinc/61/65/40/1290616540.db2.gz PYSKUTDBJYFMQJ-QRTARXTBSA-N 0 3 353.463 0.357 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@@H](C)NCC(=O)Nc1nncs1 ZINC001753015605 1290619478 /nfs/dbraw/zinc/61/94/78/1290619478.db2.gz QGXFNZCCNZNFGH-DYEKYZERSA-N 0 3 367.475 0.942 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2cc3ncccn3n2)C[C@H]1c1cnn(C)c1 ZINC001689036249 1294581549 /nfs/dbraw/zinc/58/15/49/1294581549.db2.gz QZQGCXZFUZNAFV-DOTOQJQBSA-N 0 3 363.425 0.684 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)C[C@H]1c1cnn(C)c1 ZINC001689038865 1294581775 /nfs/dbraw/zinc/58/17/75/1294581775.db2.gz PAFBFGAXWZSYMS-GVDBMIGSSA-N 0 3 359.474 0.488 20 30 FCEDHN C=CCOCC(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)N1CCO[C@H](C)C1 ZINC001689083688 1294602240 /nfs/dbraw/zinc/60/22/40/1294602240.db2.gz OISZEYFQZBKKCJ-ZACQAIPSSA-N 0 3 367.490 0.653 20 30 FCEDHN C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cnc[n-]c1=O ZINC001689091768 1294609423 /nfs/dbraw/zinc/60/94/23/1294609423.db2.gz QHPJKCRUJXDSKB-MCIONIFRSA-N 0 3 359.430 0.150 20 30 FCEDHN C=CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1conc1COC ZINC001689106485 1294619949 /nfs/dbraw/zinc/61/99/49/1294619949.db2.gz IGMTWRJYEUTBTE-KGLIPLIRSA-N 0 3 364.446 0.954 20 30 FCEDHN COCC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nnn(C)c4C3)C[C@@H]2C1 ZINC001689229756 1294686307 /nfs/dbraw/zinc/68/63/07/1294686307.db2.gz ACVIHJSUILZHAJ-ZACQAIPSSA-N 0 3 371.485 0.350 20 30 FCEDHN C=CCOCCN1CC[C@H](NC(=O)CCC(=O)N2CCOCC2)[C@H]1C ZINC001689333942 1294756530 /nfs/dbraw/zinc/75/65/30/1294756530.db2.gz WQEMBERSGRJEKV-CVEARBPZSA-N 0 3 353.463 0.407 20 30 FCEDHN C#CCNC(=O)CN1CCC[C@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001690899856 1294889996 /nfs/dbraw/zinc/88/99/96/1294889996.db2.gz YWBJDLPTGPFENQ-BZUAXINKSA-N 0 3 357.458 0.623 20 30 FCEDHN C=CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCCNC1=O ZINC001691820134 1294928973 /nfs/dbraw/zinc/92/89/73/1294928973.db2.gz YLMGMGHETGVCFK-QLFBSQMISA-N 0 3 350.463 0.032 20 30 FCEDHN C#CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCc2nccn2C1 ZINC001691823708 1294929176 /nfs/dbraw/zinc/92/91/76/1294929176.db2.gz 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C=CCOCCN1C[C@H]2OCCN(C(=O)c3cccc4n[nH]nc43)[C@H]2C1 ZINC001217959780 1224133666 /nfs/dbraw/zinc/13/36/66/1224133666.db2.gz QJXAGYNGIGCMTQ-JKSUJKDBSA-N 0 3 357.414 0.686 20 30 FCEDHN C=CCCCN1C[C@H]2OCCN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)[C@H]2C1 ZINC001218037546 1224136174 /nfs/dbraw/zinc/13/61/74/1224136174.db2.gz NRBLYBIIQNNKRU-IXDOHACOSA-N 0 3 365.474 0.359 20 30 FCEDHN C#CC(C#C)Oc1ccc(C[C@H](NC(=O)[C@@H](N)CC(C)C)C(N)=O)cc1 ZINC001218442696 1224161490 /nfs/dbraw/zinc/16/14/90/1224161490.db2.gz URKUPHUKCWHWDQ-ROUUACIJSA-N 0 3 355.438 0.586 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1C[C@@]2(CN(C(=O)C#CC3CC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105626514 1193842207 /nfs/dbraw/zinc/84/22/07/1193842207.db2.gz CHARLERXWQGUAT-DGQTTZFYSA-N 0 3 371.481 0.115 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1C[C@]2(CN(C(=O)C#CC3CC3)[C@H]2C(C)C)C[C@H]1O ZINC001105626516 1193842295 /nfs/dbraw/zinc/84/22/95/1193842295.db2.gz CHARLERXWQGUAT-SGLNWRHMSA-N 0 3 371.481 0.115 20 30 FCEDHN C#CCC1(C(=O)N2C[C@]3(C[C@@H](O)[C@H](NCC(N)=O)C3)[C@@H]2C(C)C)CCC1 ZINC001105637188 1193843323 /nfs/dbraw/zinc/84/33/23/1193843323.db2.gz LDSFYCKLJBZWAO-UOSKARGWSA-N 0 3 361.486 0.631 20 30 FCEDHN CC(C)[C@@H]1N(C(=O)CCCF)C[C@@]12C[C@@H](O)[C@H](NCC(=O)NCC#N)C2 ZINC001105651872 1193855969 /nfs/dbraw/zinc/85/59/69/1193855969.db2.gz JKDHLXLFDLVZHJ-KJWYOANISA-N 0 3 368.453 0.342 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1C[C@]2(CN(C(=O)C(C)(C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105668124 1193947227 /nfs/dbraw/zinc/94/72/27/1193947227.db2.gz HVSPOLOJECRUHE-MXHNKVEKSA-N 0 3 363.502 0.748 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCN(CC)[C@H](c3ncc[nH]3)C2)CC1 ZINC000553671157 1194013007 /nfs/dbraw/zinc/01/30/07/1194013007.db2.gz POKRGGJRRFFPCG-INIZCTEOSA-N 0 3 374.489 0.382 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CCCc2ccccc2)C[C@@H]1O ZINC001083537079 1194228763 /nfs/dbraw/zinc/22/87/63/1194228763.db2.gz AIVBDLGWVJYVTA-AABGKKOBSA-N 0 3 355.482 0.878 20 30 FCEDHN C=CCN1CC[C@@H](N2C[C@@H]3CCN(C(=O)c4cccc(=O)n4C)[C@@H]3C2)C1=O ZINC001076226590 1194359702 /nfs/dbraw/zinc/35/97/02/1194359702.db2.gz MJXNOXLFRVOLAJ-USXIJHARSA-N 0 3 370.453 0.319 20 30 FCEDHN C=CCN1CC[C@H](N2C[C@@H]3CCN(C(=O)c4[nH]c(C)nc4C)[C@@H]3C2)C1=O ZINC001076257070 1194372419 /nfs/dbraw/zinc/37/24/19/1194372419.db2.gz DHYFVFMMODHVLY-HRCADAONSA-N 0 3 357.458 0.960 20 30 FCEDHN C=CCN1CC[C@@H](N2C[C@@H]3CCN(C(=O)c4cnc(OC)nc4)[C@@H]3C2)C1=O ZINC001076424874 1194470340 /nfs/dbraw/zinc/47/03/40/1194470340.db2.gz RBHPSAHUTSOADJ-NUEKZKHPSA-N 0 3 371.441 0.418 20 30 FCEDHN C#CCN1CCC(C(=O)N2CC[C@H]3CN(Cc4nnc(C)[nH]4)C[C@H]32)CC1 ZINC001076604861 1194593746 /nfs/dbraw/zinc/59/37/46/1194593746.db2.gz UVUMUDLKIUVXQT-DLBZAZTESA-N 0 3 356.474 0.491 20 30 FCEDHN C=CCOCCN1C[C@H]2OCCN(C(=O)[C@@H](C)CN3CCOCC3)[C@H]2C1 ZINC001219033478 1224305948 /nfs/dbraw/zinc/30/59/48/1224305948.db2.gz NTUMGXKPEKZTCM-OKZBNKHCSA-N 0 3 367.490 0.069 20 30 FCEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)CCNC(=O)[C@H]3CCCO3)[C@H]2C1 ZINC001219073429 1224339237 /nfs/dbraw/zinc/33/92/37/1224339237.db2.gz KWULFFHFPHJXDL-GVDBMIGSSA-N 0 3 365.474 0.550 20 30 FCEDHN C=CCCCCCN1C[C@H]2OCCN(C(=O)C[C@@H]3CC(=O)NC3=O)[C@H]2C1 ZINC001219076912 1224342539 /nfs/dbraw/zinc/34/25/39/1224342539.db2.gz AIPAFUVXLRICBF-HRCADAONSA-N 0 3 363.458 0.697 20 30 FCEDHN C#Cc1ccc(C(=O)N[C@H]2CCN(CCCN3C(=O)CNC3=O)[C@@H]2C)cn1 ZINC001088991328 1196858945 /nfs/dbraw/zinc/85/89/45/1196858945.db2.gz USKXCYVSJQSOHE-CJNGLKHVSA-N 0 3 369.425 0.197 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(Cc3cnnn3CC)[C@@H]2C)CC1 ZINC001089060045 1196879647 /nfs/dbraw/zinc/87/96/47/1196879647.db2.gz PNVUCNLATZLDEJ-QAPCUYQASA-N 0 3 358.490 0.722 20 30 FCEDHN CC(C)N(C)CC(=O)N1C[C@@H](Nc2nccnc2C#N)[C@@H](n2ccnn2)C1 ZINC001089089585 1196893851 /nfs/dbraw/zinc/89/38/51/1196893851.db2.gz LKVQHOVTRIVKDZ-CABCVRRESA-N 0 3 369.433 0.144 20 30 FCEDHN C#CCN1CCC(C(=O)NCC2CC(NC(=O)[C@H]3OCC[C@H]3C)C2)CC1 ZINC000992185215 1197006413 /nfs/dbraw/zinc/00/64/13/1197006413.db2.gz UXTNRCGPGHZAJW-RYKRPPSOSA-N 0 3 361.486 0.768 20 30 FCEDHN COCCCNC(=O)C(C#N)C(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000744024489 1198303244 /nfs/dbraw/zinc/30/32/44/1198303244.db2.gz YNMKUWUDHLKQHN-HOTGVXAUSA-N 0 3 372.425 0.795 20 30 FCEDHN C#CCNC(=O)CC(=O)N[C@@H]1CN(CCc2ccc(CC)cc2)C[C@@H]1O ZINC001219492399 1224485973 /nfs/dbraw/zinc/48/59/73/1224485973.db2.gz KKXLQIHSBYLTST-MSOLQXFVSA-N 0 3 357.454 0.092 20 30 FCEDHN C=CCCCCCN1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](n2ccnn2)C1 ZINC001129375722 1200007503 /nfs/dbraw/zinc/00/75/03/1200007503.db2.gz HPGSPLWVZVIULB-CABCVRRESA-N 0 3 358.450 0.727 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)CCCC(=O)NCC)[C@@H](n2ccnn2)C1 ZINC001129390391 1200194353 /nfs/dbraw/zinc/19/43/53/1200194353.db2.gz MOAFKMRLJDZPRL-CVEARBPZSA-N 0 3 362.478 0.892 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)CCC(=O)NCCC)[C@@H](n2ccnn2)C1 ZINC001129390561 1200195132 /nfs/dbraw/zinc/19/51/32/1200195132.db2.gz QWKDYHIFGVBIPY-CVEARBPZSA-N 0 3 362.478 0.892 20 30 FCEDHN CCN(CCO)CCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000769518539 1200320041 /nfs/dbraw/zinc/32/00/41/1200320041.db2.gz ANLOBZLIOGOPCJ-ZIAGYGMSSA-N 0 3 369.466 0.359 20 30 FCEDHN CC(C)[C@@H](C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@H]1O)N1CCCC1 ZINC001090432494 1200696658 /nfs/dbraw/zinc/69/66/58/1200696658.db2.gz FDRUWJQJNMQGER-NXHRZFHOSA-N 0 3 357.458 0.739 20 30 FCEDHN CCCN(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N(CC)CCC#N ZINC001110016657 1200704915 /nfs/dbraw/zinc/70/49/15/1200704915.db2.gz YNWIQFQJRHZFBI-IKGGRYGDSA-N 0 3 363.506 0.812 20 30 FCEDHN CC(C)[C@@H](C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1O)N1CCCC1 ZINC001090432962 1200705652 /nfs/dbraw/zinc/70/56/52/1200705652.db2.gz KPUIQUDFLHFLJX-INMHGKMJSA-N 0 3 358.446 0.134 20 30 FCEDHN N#CC(C(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)NCc1ccc(F)cc1F ZINC000786558466 1200843062 /nfs/dbraw/zinc/84/30/62/1200843062.db2.gz CSMQHLGXVXUNIK-JTQLQIEISA-N 0 3 364.268 0.490 20 30 FCEDHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCNc1ncccc1C#N ZINC000787780454 1200909965 /nfs/dbraw/zinc/90/99/65/1200909965.db2.gz YYXFQNCKCUPVIZ-OAHLLOKOSA-N 0 3 372.473 0.718 20 30 FCEDHN CC(C)[C@@H](C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@@H]1O)N(C)C ZINC001219845405 1224651543 /nfs/dbraw/zinc/65/15/43/1224651543.db2.gz KEQBCLZBACKAMU-SQNIBIBYSA-N 0 3 362.449 0.945 20 30 FCEDHN C=C(C)CN(CC)C(=O)CN1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)[C@@H](O)C1 ZINC001219845739 1224651628 /nfs/dbraw/zinc/65/16/28/1224651628.db2.gz QIRLIDGEUQNJII-RYRKJORJSA-N 0 3 368.522 0.159 20 30 FCEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)Cn2ccccc2=O)[C@@H](n2ccnn2)C1 ZINC001129428241 1201304384 /nfs/dbraw/zinc/30/43/84/1201304384.db2.gz VOXQBXIEENCLJK-ZACQAIPSSA-N 0 3 370.457 0.836 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)COC[C@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001129496787 1201335609 /nfs/dbraw/zinc/33/56/09/1201335609.db2.gz TWCUEULPJQNFPU-ZACQAIPSSA-N 0 3 363.462 0.781 20 30 FCEDHN CC(C)(C)C#CC(=O)N1C[C@@H](NCCn2cccn2)[C@@H](n2ccnn2)C1 ZINC001129822228 1201401561 /nfs/dbraw/zinc/40/15/61/1201401561.db2.gz LKSFDTFPKNGNCP-CVEARBPZSA-N 0 3 355.446 0.566 20 30 FCEDHN COCCOCCN[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001129824847 1201402359 /nfs/dbraw/zinc/40/23/59/1201402359.db2.gz DPHMMFNKRGDQNI-CVEARBPZSA-N 0 3 363.462 0.332 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)CC2(COC)CC2)C[C@@H]1n1ccnn1 ZINC001129829634 1201402803 /nfs/dbraw/zinc/40/28/03/1201402803.db2.gz LEWXVHLNFSTKBI-CVEARBPZSA-N 0 3 363.462 0.639 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CCNC(=O)c2ccncc2)C[C@@H]1n1ccnn1 ZINC001129879204 1201411252 /nfs/dbraw/zinc/41/12/52/1201411252.db2.gz XAOHXRKGRQNBPI-CVEARBPZSA-N 0 3 369.429 0.021 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C2(NC(C)=O)CCCCC2)C[C@@H]1n1ccnn1 ZINC001129914786 1201425804 /nfs/dbraw/zinc/42/58/04/1201425804.db2.gz HMACLJZIAQTJOX-CVEARBPZSA-N 0 3 360.462 0.645 20 30 FCEDHN C#Cc1cncc(C(=O)N2C[C@@H](NCCOCC=C)[C@@H](n3ccnn3)C2)c1 ZINC001129997459 1201465724 /nfs/dbraw/zinc/46/57/24/1201465724.db2.gz NJSYAQAYBGTLIH-MSOLQXFVSA-N 0 3 366.425 0.512 20 30 FCEDHN C=CCCCC(=O)N1C[C@@H](NCCN2CCNC2=O)[C@@H](n2ccnn2)C1 ZINC001129986912 1201469046 /nfs/dbraw/zinc/46/90/46/1201469046.db2.gz QNTAYTKVSDVDON-CABCVRRESA-N 0 3 361.450 0.001 20 30 FCEDHN C=CCCCC(=O)N1C[C@@H](NCc2ccn(C)c(=O)c2)[C@@H](n2ccnn2)C1 ZINC001129990247 1201469647 /nfs/dbraw/zinc/46/96/47/1201469647.db2.gz UBDUILAYBZCLCZ-SJORKVTESA-N 0 3 370.457 0.875 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2cnoc2CC)C[C@@H]1n1ccnn1 ZINC001130024227 1201478967 /nfs/dbraw/zinc/47/89/67/1201478967.db2.gz NNVDKOLJTREERG-CABCVRRESA-N 0 3 360.418 0.686 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CCC(=O)NC2CCCC2)C[C@@H]1n1ccnn1 ZINC001130054714 1201483745 /nfs/dbraw/zinc/48/37/45/1201483745.db2.gz LTZDFVVBTOZXIK-CVEARBPZSA-N 0 3 360.462 0.645 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)[C@H](C)CCCOC)C[C@@H]1n1ccnn1 ZINC001130086205 1201494261 /nfs/dbraw/zinc/49/42/61/1201494261.db2.gz PNWLUFHOGKOMGV-ZACQAIPSSA-N 0 3 365.478 0.885 20 30 FCEDHN C#CC[C@H](CC(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1)c1ccccc1 ZINC001130158310 1201519080 /nfs/dbraw/zinc/51/90/80/1201519080.db2.gz BZZGKMCLEDZAQA-QRVBRYPASA-N 0 3 367.453 0.809 20 30 FCEDHN C=CCCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@H](CC)C(N)=O)[n-]1 ZINC001130193389 1201531289 /nfs/dbraw/zinc/53/12/89/1201531289.db2.gz VGZJMRIQEXJWIP-XQQFMLRXSA-N 0 3 364.450 0.113 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(F)nc2)[n-]1 ZINC001130203282 1201539525 /nfs/dbraw/zinc/53/95/25/1201539525.db2.gz WUXPAJNSGTWWKW-STQMWFEESA-N 0 3 358.377 0.364 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[C@@H](C)OC)[n-]1 ZINC001130205173 1201540936 /nfs/dbraw/zinc/54/09/36/1201540936.db2.gz TUYOCAFFDLRARP-ILXRZTDVSA-N 0 3 363.462 0.721 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccnn2C(C)C)[n-]1 ZINC001130216113 1201546757 /nfs/dbraw/zinc/54/67/57/1201546757.db2.gz MUGSMSCITOXNAT-ZFWWWQNUSA-N 0 3 371.445 0.607 20 30 FCEDHN C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2ncccc2[O-])n[nH]1 ZINC001130202557 1201548582 /nfs/dbraw/zinc/54/85/82/1201548582.db2.gz BZAZSCBRVSBGGD-AAEUAGOBSA-N 0 3 358.402 0.483 20 30 FCEDHN CC[C@H](F)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#CCOC)[n-]1 ZINC001130230513 1201557037 /nfs/dbraw/zinc/55/70/37/1201557037.db2.gz YFEQXYWNLXFPRQ-IHRRRGAJSA-N 0 3 367.425 0.281 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](OC)C(C)C)[n-]1 ZINC001130235064 1201559199 /nfs/dbraw/zinc/55/91/99/1201559199.db2.gz SSOZETSTMIMBFF-OFQRWUPVSA-N 0 3 363.462 0.577 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ncccc2F)[n-]1 ZINC001130244228 1201563442 /nfs/dbraw/zinc/56/34/42/1201563442.db2.gz DRLGHDGVAAJWQL-AAEUAGOBSA-N 0 3 358.377 0.364 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCn2cccc2)[n-]1 ZINC001130244310 1201563643 /nfs/dbraw/zinc/56/36/43/1201563643.db2.gz GNIMIZGYIJDYPP-HOTGVXAUSA-N 0 3 370.457 0.798 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)CCCOC)[n-]1 ZINC001130247233 1201567542 /nfs/dbraw/zinc/56/75/42/1201567542.db2.gz ZLQKSYMARHQZML-KKUMJFAQSA-N 0 3 363.462 0.579 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(CC)on2)[n-]1 ZINC001130247230 1201567686 /nfs/dbraw/zinc/56/76/86/1201567686.db2.gz ZJKLIXNKYNXDIY-JSGCOSHPSA-N 0 3 358.402 0.380 20 30 FCEDHN CN(C)C1(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CCN(CC#N)CC2)CCC1 ZINC001130291058 1201578827 /nfs/dbraw/zinc/57/88/27/1201578827.db2.gz VQXQEZLKBOFOPQ-WBVHZDCISA-N 0 3 361.490 0.470 20 30 FCEDHN C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)Cc2c[nH]cn2)CC1 ZINC001130301698 1201580528 /nfs/dbraw/zinc/58/05/28/1201580528.db2.gz BDDZROPYYAWMED-YJLNNSPDSA-N 0 3 371.485 0.697 20 30 FCEDHN C#CCCCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCc2n[nH]c(C)n2)C1 ZINC001130578070 1202721483 /nfs/dbraw/zinc/72/14/83/1202721483.db2.gz CAUDMIQPASMLFS-GOEBONIOSA-N 0 3 355.446 0.734 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cn(C)cn2)[C@H](NCc2cnn(C)c2)C1 ZINC001130593072 1202726530 /nfs/dbraw/zinc/72/65/30/1202726530.db2.gz OANHJNFYLCWEEX-QILLFSRXSA-N 0 3 370.457 0.276 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](CC(=C)C)NC(C)=O)C[C@H]1c1cn(C)cn1 ZINC001130687785 1202754017 /nfs/dbraw/zinc/75/40/17/1202754017.db2.gz QJUWNUGUTCYGDS-LZLYRXPVSA-N 0 3 359.474 0.961 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C2(NC(C)=O)CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130695099 1202757590 /nfs/dbraw/zinc/75/75/90/1202757590.db2.gz DMQOVVZXFFOTDQ-DOTOQJQBSA-N 0 3 359.474 0.939 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2ccc3n[nH]nc3c2)C[C@H]1c1cn(C)cn1 ZINC001130725750 1202767343 /nfs/dbraw/zinc/76/73/43/1202767343.db2.gz CNJVMQAUTBTVGM-KBXCAEBGSA-N 0 3 363.425 0.913 20 30 FCEDHN COCC#CCN[C@@H]1CN(C(=O)Cn2ccnc2C)C[C@H]1c1cn(C)cn1 ZINC001130726195 1202768091 /nfs/dbraw/zinc/76/80/91/1202768091.db2.gz QBRGNPBPRBDFBX-FUHWJXTLSA-N 0 3 370.457 0.159 20 30 FCEDHN COCC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C=C(C)C)n[n-]2)O1 ZINC001130753035 1202776533 /nfs/dbraw/zinc/77/65/33/1202776533.db2.gz NNZYXCUPGFTDQS-LSDHHAIUSA-N 0 3 361.446 0.847 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CCCOCC3)n[n-]2)O1 ZINC001130781293 1202792933 /nfs/dbraw/zinc/79/29/33/1202792933.db2.gz XDEVFAULSNAUDP-QLFBSQMISA-N 0 3 361.446 0.681 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@@H]3CCCOCC3)n2)O1 ZINC001130781293 1202792936 /nfs/dbraw/zinc/79/29/36/1202792936.db2.gz XDEVFAULSNAUDP-QLFBSQMISA-N 0 3 361.446 0.681 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3nccn3CC)n[n-]2)O1 ZINC001130781027 1202793293 /nfs/dbraw/zinc/79/32/93/1202793293.db2.gz LSXJXWIASHFZTC-UONOGXRCSA-N 0 3 371.445 0.784 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3nccn3CC)n2)O1 ZINC001130781027 1202793297 /nfs/dbraw/zinc/79/32/97/1202793297.db2.gz LSXJXWIASHFZTC-UONOGXRCSA-N 0 3 371.445 0.784 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCc3ncc[nH]3)n[n-]2)O1 ZINC001130781323 1202793354 /nfs/dbraw/zinc/79/33/54/1202793354.db2.gz YTPZSPGWLUGEKN-QWHCGFSZSA-N 0 3 357.418 0.220 20 30 FCEDHN C#CCCCNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000806914460 1202793895 /nfs/dbraw/zinc/79/38/95/1202793895.db2.gz VXIMNGZXEBSNLL-SFHVURJKSA-N 0 3 357.454 0.923 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC3(O)CCC3)n[n-]2)O1 ZINC001130783241 1202794270 /nfs/dbraw/zinc/79/42/70/1202794270.db2.gz RNIQPVBNWWOYDA-UONOGXRCSA-N 0 3 361.446 0.559 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)CC3(O)CCC3)n2)O1 ZINC001130783241 1202794273 /nfs/dbraw/zinc/79/42/73/1202794273.db2.gz RNIQPVBNWWOYDA-UONOGXRCSA-N 0 3 361.446 0.559 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)COCC(F)F)n[n-]2)O1 ZINC001130796497 1202796622 /nfs/dbraw/zinc/79/66/22/1202796622.db2.gz VCKVYPLTNOIQHR-NWDGAFQWSA-N 0 3 371.388 0.536 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)COCC(F)F)n2)O1 ZINC001130796497 1202796624 /nfs/dbraw/zinc/79/66/24/1202796624.db2.gz VCKVYPLTNOIQHR-NWDGAFQWSA-N 0 3 371.388 0.536 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCc3cccnc3)n[n-]2)O1 ZINC001130792440 1202800020 /nfs/dbraw/zinc/80/00/20/1202800020.db2.gz DUAQFQGZUDIJQC-JKSUJKDBSA-N 0 3 368.441 0.892 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)n[n-]2)O1 ZINC001130807299 1202801805 /nfs/dbraw/zinc/80/18/05/1202801805.db2.gz WHQBVQLGGBKBKR-DGADGQDISA-N 0 3 373.457 0.821 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)n2)O1 ZINC001130807299 1202801806 /nfs/dbraw/zinc/80/18/06/1202801806.db2.gz WHQBVQLGGBKBKR-DGADGQDISA-N 0 3 373.457 0.821 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cn3ccc(C)n3)n[n-]2)O1 ZINC001130809131 1202802218 /nfs/dbraw/zinc/80/22/18/1202802218.db2.gz IJANMQBKJDTCSC-LSDHHAIUSA-N 0 3 371.445 0.459 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)Cn3ccc(C)n3)n2)O1 ZINC001130809131 1202802221 /nfs/dbraw/zinc/80/22/21/1202802221.db2.gz IJANMQBKJDTCSC-LSDHHAIUSA-N 0 3 371.445 0.459 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)COc3cccnc3)n[n-]2)O1 ZINC001130813795 1202806331 /nfs/dbraw/zinc/80/63/31/1202806331.db2.gz XZAPADDTXQTMJQ-LSDHHAIUSA-N 0 3 370.413 0.338 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)COc3cccnc3)n2)O1 ZINC001130813795 1202806334 /nfs/dbraw/zinc/80/63/34/1202806334.db2.gz XZAPADDTXQTMJQ-LSDHHAIUSA-N 0 3 370.413 0.338 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnn(C(C)C)c3)n[n-]2)O1 ZINC001130817400 1202807737 /nfs/dbraw/zinc/80/77/37/1202807737.db2.gz NORKHEASDATXNX-LSDHHAIUSA-N 0 3 371.445 0.955 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cnn(C(C)C)c3)n2)O1 ZINC001130817400 1202807738 /nfs/dbraw/zinc/80/77/38/1202807738.db2.gz NORKHEASDATXNX-LSDHHAIUSA-N 0 3 371.445 0.955 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(C#C)cn3)n[n-]2)O1 ZINC001130817231 1202808140 /nfs/dbraw/zinc/80/81/40/1202808140.db2.gz HHRBEPQJSVWUKW-GOEBONIOSA-N 0 3 364.409 0.554 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3ccc(C#C)cn3)n2)O1 ZINC001130817231 1202808142 /nfs/dbraw/zinc/80/81/42/1202808142.db2.gz HHRBEPQJSVWUKW-GOEBONIOSA-N 0 3 364.409 0.554 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cn(CC)cn3)n[n-]2)O1 ZINC001130817547 1202808498 /nfs/dbraw/zinc/80/84/98/1202808498.db2.gz RVMIYQUKXHBKFK-DZGCQCFKSA-N 0 3 371.445 0.784 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cn(CC)cn3)n2)O1 ZINC001130817547 1202808499 /nfs/dbraw/zinc/80/84/99/1202808499.db2.gz RVMIYQUKXHBKFK-DZGCQCFKSA-N 0 3 371.445 0.784 20 30 FCEDHN Cc1nc(CN[C@@H]2CN(C(=O)C#CC(C)C)C[C@H]2c2cncn2C)n[nH]1 ZINC001130991614 1202838081 /nfs/dbraw/zinc/83/80/81/1202838081.db2.gz UGAGOIGAGNQWOT-HUUCEWRRSA-N 0 3 355.446 0.590 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H](C)NC(=O)C2CCCC2)C[C@H]1c1cncn1C ZINC001130999438 1202843037 /nfs/dbraw/zinc/84/30/37/1202843037.db2.gz QSOUJTPIYBYSLY-DJIMGWMZSA-N 0 3 371.485 0.632 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)COCc2cc(C)no2)C[C@H]1c1cncn1C ZINC001131017971 1202843625 /nfs/dbraw/zinc/84/36/25/1202843625.db2.gz 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CC#CCN[C@@H]1CN(C(=O)c2cnc3cccnn32)C[C@H]1c1cncn1C ZINC001131084055 1202859045 /nfs/dbraw/zinc/85/90/45/1202859045.db2.gz KKCSXOAVQKRAQO-HUUCEWRRSA-N 0 3 363.425 0.684 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2ccc3nncn3c2)C[C@H]1c1cncn1C ZINC001131086648 1202860456 /nfs/dbraw/zinc/86/04/56/1202860456.db2.gz YCDGEVGPLVVPAI-HZPDHXFCSA-N 0 3 363.425 0.684 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@H]2CCN(C(=O)CC)C2)C[C@H]1c1cncn1C ZINC001131106495 1202864072 /nfs/dbraw/zinc/86/40/72/1202864072.db2.gz XLNSZBGMBWNKAN-GVDBMIGSSA-N 0 3 371.485 0.586 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2ccc(C(N)=O)cc2)C[C@H]1c1cncn1C ZINC001131123783 1202866439 /nfs/dbraw/zinc/86/64/39/1202866439.db2.gz UTDHDDQJFRCCSV-IAGOWNOFSA-N 0 3 365.437 0.740 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)CO[C@@H](C)c2nccn2C)C[C@H]1c1cncn1C ZINC001131115233 1202867111 /nfs/dbraw/zinc/86/71/11/1202867111.db2.gz FSWFSVXOZGRQNX-ARFHVFGLSA-N 0 3 370.457 0.449 20 30 FCEDHN C#CCCN1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001131318712 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ZINC001070006291 1216893424 /nfs/dbraw/zinc/89/34/24/1216893424.db2.gz NZWOXTIEVUFGKN-SQNIBIBYSA-N 0 3 371.489 0.940 20 30 FCEDHN Cc1ccc(C#N)c(N2C[C@@H](O)[C@H](NC(=O)C(C)(C)N3CCCC3)C2)n1 ZINC001041287968 1217268904 /nfs/dbraw/zinc/26/89/04/1217268904.db2.gz YLQMEKPWWNFHFY-HZPDHXFCSA-N 0 3 357.458 0.802 20 30 FCEDHN CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1O ZINC001041429698 1217328613 /nfs/dbraw/zinc/32/86/13/1217328613.db2.gz LFDMCBGEUWIZMI-QLFBSQMISA-N 0 3 358.446 0.134 20 30 FCEDHN CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1O ZINC001041430702 1217329614 /nfs/dbraw/zinc/32/96/14/1217329614.db2.gz XBJWBXLKERBNDT-BZUAXINKSA-N 0 3 358.446 0.134 20 30 FCEDHN C[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001042680775 1217444134 /nfs/dbraw/zinc/44/41/34/1217444134.db2.gz OFEYHEZLWSMNHR-FYQILQCXSA-N 0 3 368.441 0.152 20 30 FCEDHN CO[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)[C@H]1CCCN1C(C)C ZINC001042893623 1217502531 /nfs/dbraw/zinc/50/25/31/1217502531.db2.gz LQKAQADLTLSLQG-RBSFLKMASA-N 0 3 358.446 0.541 20 30 FCEDHN CC[C@@H](C(=O)N1CCO[C@@H]2CN(c3nc(C)cc(C#N)n3)C[C@@H]21)N(C)C ZINC001043737495 1217724989 /nfs/dbraw/zinc/72/49/89/1217724989.db2.gz QKFUHJPIQYRJSQ-HRCADAONSA-N 0 3 358.446 0.413 20 30 FCEDHN CC[C@H](C(=O)N1CCO[C@@H]2CN(c3ncc(C#N)cc3F)C[C@@H]21)N(C)C ZINC001043737513 1217725107 /nfs/dbraw/zinc/72/51/07/1217725107.db2.gz RAYQGNHLHIKTEH-OWCLPIDISA-N 0 3 361.421 0.849 20 30 FCEDHN C[C@@H]1CCN(CC(=O)N2CCO[C@@H]3CN(c4cncc(C#N)n4)C[C@@H]32)C1 ZINC001043790783 1217744489 /nfs/dbraw/zinc/74/44/89/1217744489.db2.gz KCETYMYJJOTBSY-VNQPRFMTSA-N 0 3 356.430 0.106 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(c3cc(CC)nc(C)n3)C[C@@H]2O)CC1 ZINC001043989143 1217787726 /nfs/dbraw/zinc/78/77/26/1217787726.db2.gz NNJCUVLLWBHVFM-MSOLQXFVSA-N 0 3 371.485 0.358 20 30 FCEDHN C=CCN1CC[C@H](N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2=NC(=O)N(C)C2)C3)C1=O ZINC001095970176 1217807231 /nfs/dbraw/zinc/80/72/31/1217807231.db2.gz HCWFTGCOEODJIL-DHMWGJHJSA-N 0 3 359.430 0.248 20 30 FCEDHN C[C@H](C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1O)N1CCCCCC1 ZINC001044198342 1217816947 /nfs/dbraw/zinc/81/69/47/1217816947.db2.gz OGIOURCVUNXQET-KFWWJZLASA-N 0 3 358.446 0.278 20 30 FCEDHN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)N3CCCC3)O1)C2 ZINC001096006758 1217895299 /nfs/dbraw/zinc/89/52/99/1217895299.db2.gz PQTYSPFQNAZMIU-RSJGLCBASA-N 0 3 359.470 0.901 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccccn1 ZINC001224473070 1225780532 /nfs/dbraw/zinc/78/05/32/1225780532.db2.gz DJUJJLLKOKBXIB-ZIAGYGMSSA-N 0 3 359.430 0.724 20 30 FCEDHN C#CCN1CCC2(CO[C@@H](CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)CC1 ZINC001045673553 1217947569 /nfs/dbraw/zinc/94/75/69/1217947569.db2.gz DXRORRLKUOPHSN-XWTMOSNGSA-N 0 3 362.470 0.658 20 30 FCEDHN C#Cc1cccc(NC(=O)CN[C@@H]2CCCC[C@H]2NC(=O)CNC(C)=O)c1 ZINC001224540489 1225782921 /nfs/dbraw/zinc/78/29/21/1225782921.db2.gz WXYKOUVBLXNINW-QZTJIDSGSA-N 0 3 370.453 0.760 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCOC(C)C ZINC001224960100 1225797546 /nfs/dbraw/zinc/79/75/46/1225797546.db2.gz UFFVJMSRQIQOSC-HUUCEWRRSA-N 0 3 368.478 0.830 20 30 FCEDHN C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 ZINC001047414959 1218140861 /nfs/dbraw/zinc/14/08/61/1218140861.db2.gz YYQJUIRQMQLTAK-LTIDMASMSA-N 0 3 362.474 0.967 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1ccon1 ZINC001225484679 1225813475 /nfs/dbraw/zinc/81/34/75/1225813475.db2.gz XKCUUVJOGZEASG-ZIAGYGMSSA-N 0 3 363.418 0.246 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCCO1 ZINC001225675783 1225819816 /nfs/dbraw/zinc/81/98/16/1225819816.db2.gz OHXDZSOSCSGUJW-RBSFLKMASA-N 0 3 366.462 0.584 20 30 FCEDHN C[C@@H]1CCN(CC(=O)N2C[C@H]3CCN(c4ccnc(C#N)n4)C[C@H]3C2)C1 ZINC001049684380 1218520227 /nfs/dbraw/zinc/52/02/27/1218520227.db2.gz CVEIBFHTFHOVKM-OAGGEKHMSA-N 0 3 354.458 0.975 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC1CCOCC1 ZINC001225946073 1225829089 /nfs/dbraw/zinc/82/90/89/1225829089.db2.gz AHJPNOGMNRPITO-GPMSIDNRSA-N 0 3 367.490 0.626 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)N(C)C2CC2)CC1 ZINC001096605360 1218573888 /nfs/dbraw/zinc/57/38/88/1218573888.db2.gz KXAKSLUGLLXOBF-QYZOEREBSA-N 0 3 372.513 0.674 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2cnn(CC)n2)CC1 ZINC001096607852 1218576823 /nfs/dbraw/zinc/57/68/23/1218576823.db2.gz KQJCONLXNVYWNQ-QYZOEREBSA-N 0 3 370.501 0.865 20 30 FCEDHN N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@H](O)Cn2cccn2)c1 ZINC001096927096 1218641552 /nfs/dbraw/zinc/64/15/52/1218641552.db2.gz MGJUETVCAACHOP-ANQUJSFKSA-N 0 3 354.414 0.479 20 30 FCEDHN O=C(Cn1ncnn1)N[C@@H]1CCCC[C@H]1NCC#Cc1ccc(F)cc1 ZINC001226289083 1225839544 /nfs/dbraw/zinc/83/95/44/1225839544.db2.gz UIOWGJMXFBRMDR-IAGOWNOFSA-N 0 3 356.405 0.881 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001226324144 1225840385 /nfs/dbraw/zinc/84/03/85/1225840385.db2.gz YGKDMPRQZUUKMC-YLFCFFPRSA-N 0 3 355.442 0.842 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc2cccnc2n1 ZINC001226355689 1225841315 /nfs/dbraw/zinc/84/13/15/1225841315.db2.gz KLWWZUFIHXTELP-HUUCEWRRSA-N 0 3 366.425 0.900 20 30 FCEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(=O)c1ccccn1)C2 ZINC001111446477 1218751721 /nfs/dbraw/zinc/75/17/21/1218751721.db2.gz WVQZOLOKCSDEES-OIISXLGYSA-N 0 3 358.442 0.736 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(C2CC2)nn1C ZINC001226513814 1225845909 /nfs/dbraw/zinc/84/59/09/1225845909.db2.gz BPYPMDPBEOIKMW-HUUCEWRRSA-N 0 3 357.458 0.678 20 30 FCEDHN C#CCN1CCN(C(=O)CN2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)CC1 ZINC000748812243 1218825015 /nfs/dbraw/zinc/82/50/15/1218825015.db2.gz ASKNBECDRALSNX-RTBURBONSA-N 0 3 352.482 0.832 20 30 FCEDHN C#CCN1CCN(C(=O)CN2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)CC1 ZINC000748812241 1218825375 /nfs/dbraw/zinc/82/53/75/1218825375.db2.gz ASKNBECDRALSNX-OALUTQOASA-N 0 3 352.482 0.832 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnc2n[nH]nc2c1 ZINC001226817679 1225855106 /nfs/dbraw/zinc/85/51/06/1225855106.db2.gz HKCHAYWGHSOSNP-CHWSQXEVSA-N 0 3 357.418 0.286 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc2n(n1)CCCC2 ZINC001226964173 1225859514 /nfs/dbraw/zinc/85/95/14/1225859514.db2.gz BNMHGAHPRXPYFY-HUUCEWRRSA-N 0 3 358.446 0.490 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc2nc[nH]c2n1 ZINC001227019570 1225861163 /nfs/dbraw/zinc/86/11/63/1225861163.db2.gz SBMRDJNKEBMPFG-CHWSQXEVSA-N 0 3 356.430 0.891 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1cc(C2CC2)cn1 ZINC001227166162 1225865418 /nfs/dbraw/zinc/86/54/18/1225865418.db2.gz UFSZEUFEOFNASX-HZPDHXFCSA-N 0 3 358.446 0.417 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2ccnc2C1 ZINC001227176065 1225865485 /nfs/dbraw/zinc/86/54/85/1225865485.db2.gz RYKBHBRFVHWGKI-RBSFLKMASA-N 0 3 358.446 0.102 20 30 FCEDHN Cn1nnc2cc(C(=O)N[C@@H]3CCCC[C@H]3NCC(=O)NCC#N)ccc21 ZINC001227072931 1225862968 /nfs/dbraw/zinc/86/29/68/1225862968.db2.gz CCHBFCJDJNQTMA-ZIAGYGMSSA-N 0 3 369.429 0.239 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCn2nccc21 ZINC001227128624 1225864168 /nfs/dbraw/zinc/86/41/68/1225864168.db2.gz UENJTMOKGHFEOA-BZUAXINKSA-N 0 3 357.458 0.527 20 30 FCEDHN C=CC[C@H](NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccncc1 ZINC000804060486 1219116830 /nfs/dbraw/zinc/11/68/30/1219116830.db2.gz SEUGPACJULJIEN-IKGGRYGDSA-N 0 3 358.442 0.794 20 30 FCEDHN C#CCCN1C[C@@H](NC(=O)Cc2[nH]nc3ccccc32)[C@@H](n2ccnn2)C1 ZINC001070101929 1219176220 /nfs/dbraw/zinc/17/62/20/1219176220.db2.gz OOTZBOQHCQGOPQ-MSOLQXFVSA-N 0 3 363.425 0.762 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)COCc1ncc(C)o1 ZINC001227427352 1225873957 /nfs/dbraw/zinc/87/39/57/1225873957.db2.gz HYZCJXHEWXLPAG-HUUCEWRRSA-N 0 3 362.430 0.266 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCN(CCOCCNC(C)=O)CC1 ZINC001227436873 1225874420 /nfs/dbraw/zinc/87/44/20/1225874420.db2.gz ALFAOUKBEWVNOM-MSOLQXFVSA-N 0 3 367.490 0.701 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cn2nc(C)cc2C(F)F)C[C@@H]1n1ccnn1 ZINC001070202711 1219290388 /nfs/dbraw/zinc/29/03/88/1219290388.db2.gz LAXPGHWNFZWKQC-OCCSQVGLSA-N 0 3 365.388 0.948 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@H]2CCc3nc(C)[nH]c3C2)C[C@@H]1n1ccnn1 ZINC001070221992 1219303523 /nfs/dbraw/zinc/30/35/23/1219303523.db2.gz BBCBZODJNJXGQP-XKQJLSEDSA-N 0 3 353.430 0.089 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)nc3C2)C[C@@H]1n1ccnn1 ZINC001070221992 1219303529 /nfs/dbraw/zinc/30/35/29/1219303529.db2.gz BBCBZODJNJXGQP-XKQJLSEDSA-N 0 3 353.430 0.089 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cc(OC)nc(OC)c2)C[C@@H]1n1ccnn1 ZINC001070227154 1219307359 /nfs/dbraw/zinc/30/73/59/1219307359.db2.gz NYOGJHRJOOXFNT-KGLIPLIRSA-N 0 3 358.402 0.532 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2ccn(-c3ccncc3)n2)C[C@@H]1n1ccnn1 ZINC001070231639 1219308956 /nfs/dbraw/zinc/30/89/56/1219308956.db2.gz CRBLXFTVAXXNNR-SJORKVTESA-N 0 3 362.397 0.147 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccnc3[nH]c(C)nc32)C[C@@H]1n1ccnn1 ZINC001070238452 1219312171 /nfs/dbraw/zinc/31/21/71/1219312171.db2.gz NBADKZRFMQCFPR-KGLIPLIRSA-N 0 3 352.402 0.699 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cc(N3CCCC3)ncn2)C[C@@H]1n1ccnn1 ZINC001070275592 1219342516 /nfs/dbraw/zinc/34/25/16/1219342516.db2.gz UUYMYRAIAOADLT-CVEARBPZSA-N 0 3 368.445 0.510 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)CCn2ccnc2C(C)C)C[C@@H]1n1ccnn1 ZINC001070288359 1219352213 /nfs/dbraw/zinc/35/22/13/1219352213.db2.gz MNAXYBMLTBTIEZ-CVEARBPZSA-N 0 3 355.446 0.663 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cc2c(C)nn(CC)c2C)C[C@@H]1n1ccnn1 ZINC001070311269 1219368739 /nfs/dbraw/zinc/36/87/39/1219368739.db2.gz VHHSJCYPAVJLDM-SJORKVTESA-N 0 3 357.462 0.882 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccccc2-n2cnnn2)C[C@@H]1n1ccnn1 ZINC001070324322 1219375331 /nfs/dbraw/zinc/37/53/31/1219375331.db2.gz DZNQXMHKODXVJC-ZBFHGGJFSA-N 0 3 365.401 0.095 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)n2)C[C@@H]1n1ccnn1 ZINC001070324535 1219375942 /nfs/dbraw/zinc/37/59/42/1219375942.db2.gz RXEKVXBTECAJII-SJORKVTESA-N 0 3 364.413 0.700 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cc(OC)no2)CC1 ZINC001070368724 1219400199 /nfs/dbraw/zinc/40/01/99/1219400199.db2.gz QWPGISVPBYXGEN-DYVFJYSZSA-N 0 3 362.430 0.958 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2ccc(C)nn2)CC1 ZINC001070371881 1219401557 /nfs/dbraw/zinc/40/15/57/1219401557.db2.gz PXCCAEOILKYHIA-APWZRJJASA-N 0 3 369.469 0.897 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CC(=O)N(C)C2)CC1 ZINC001070372125 1219402098 /nfs/dbraw/zinc/40/20/98/1219402098.db2.gz YLYPQAZILPQXHC-RKVPGOIHSA-N 0 3 362.474 0.126 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2c(C)ncn2C)CC1 ZINC001070373071 1219403056 /nfs/dbraw/zinc/40/30/56/1219403056.db2.gz XSEMMCXPKZESBO-AEFFLSMTSA-N 0 3 371.485 0.841 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@]2(C)CCC(=O)N2)CC1 ZINC001070377163 1219404698 /nfs/dbraw/zinc/40/46/98/1219404698.db2.gz 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ZINC001215527827 1224004413 /nfs/dbraw/zinc/00/44/13/1224004413.db2.gz SYVKWYSBVBZWCV-NRSFXHEJSA-N 0 3 355.438 0.508 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1C ZINC001215602619 1224009411 /nfs/dbraw/zinc/00/94/11/1224009411.db2.gz GVFFQTQDZRCIMH-RYPNDVFKSA-N 0 3 364.446 0.002 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc3cnccc3n2)C[C@H]1C ZINC001215664702 1224011781 /nfs/dbraw/zinc/01/17/81/1224011781.db2.gz RJRUYJKSFVLSQM-CXAGYDPISA-N 0 3 353.426 0.982 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cn(CC)nc2C(C)C)C[C@H]1C ZINC001215705450 1224013067 /nfs/dbraw/zinc/01/30/67/1224013067.db2.gz LQWUTUWMALPLHT-GDBMZVCRSA-N 0 3 359.474 0.826 20 30 FCEDHN C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@H]1C ZINC001215812584 1224019139 /nfs/dbraw/zinc/01/91/39/1224019139.db2.gz LYIFSEJHOOWSGH-BXUZGUMPSA-N 0 3 359.430 0.412 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnc3cccnn32)C[C@H]1C ZINC001215825280 1224019590 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QUUQEMPTIJPCSU-HZPDHXFCSA-N 0 3 364.490 0.211 20 30 FCEDHN COc1cccn2ncc(C(=O)N3C[C@@H](C)[C@H](NCC(=O)NCC#N)C3)c12 ZINC001215952984 1224026782 /nfs/dbraw/zinc/02/67/82/1224026782.db2.gz OLNZIAWYEIEOFA-TZMCWYRMSA-N 0 3 370.413 0.033 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cnn3cc(OC)ccc23)C[C@H]1C ZINC001215952684 1224026889 /nfs/dbraw/zinc/02/68/89/1224026889.db2.gz CBXCULIBYZGKGB-CZUORRHYSA-N 0 3 369.425 0.142 20 30 FCEDHN C[C@@H]1CN(C(=O)c2cccc(N3CCCC3)c2)C[C@H]1NCC(=O)NCC#N ZINC001216053368 1224031259 /nfs/dbraw/zinc/03/12/59/1224031259.db2.gz KCTIYLASBOSOCG-CRAIPNDOSA-N 0 3 369.469 0.977 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@]2(C)CCCOC2)C[C@H]1C ZINC001216090356 1224033546 /nfs/dbraw/zinc/03/35/46/1224033546.db2.gz FGGDRAXNTNUVMI-HBUWYVDXSA-N 0 3 366.462 0.251 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cc(CC)c[nH]c2=O)C[C@H]1C ZINC001216149767 1224037102 /nfs/dbraw/zinc/03/71/02/1224037102.db2.gz RRJJTKIIBGPBNP-XJKCOSOUSA-N 0 3 358.442 0.538 20 30 FCEDHN 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ZINC001216636489 1224060054 /nfs/dbraw/zinc/06/00/54/1224060054.db2.gz GMBLRNFTXNVZHD-IIAWOOMASA-N 0 3 358.442 0.668 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)COc2ccc(OC)cc2)C[C@H]1C ZINC001216738779 1224066786 /nfs/dbraw/zinc/06/67/86/1224066786.db2.gz YETUYGCCURZYCL-RHSMWYFYSA-N 0 3 359.426 0.260 20 30 FCEDHN Cc1cccc(OCCC(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)c1 ZINC001216742617 1224067118 /nfs/dbraw/zinc/06/71/18/1224067118.db2.gz HBXCXHQICFKMPW-NVXWUHKLSA-N 0 3 358.442 0.840 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cncnc2C(C)C)C[C@H]1C ZINC001216764987 1224070016 /nfs/dbraw/zinc/07/00/16/1224070016.db2.gz SEWAGOYLAVZURW-IIAWOOMASA-N 0 3 357.458 0.788 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2c(C)nn3cccnc23)C[C@H]1C ZINC001216772369 1224070888 /nfs/dbraw/zinc/07/08/88/1224070888.db2.gz AJNVFSAKOGRJCN-VHDGCEQUSA-N 0 3 370.457 0.779 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)Cc2c(C)n[nH]c2C)C[C@H]1C ZINC001216789874 1224071969 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/nfs/dbraw/zinc/44/27/72/1264442772.db2.gz FPNYFBBQASXXKO-UHFFFAOYSA-N 0 3 373.432 0.556 20 30 FCEDHN CN1CCN(CCCNC(=O)C(=O)NCCCC#N)[C@H](c2ccccc2)C1 ZINC001325560184 1264929010 /nfs/dbraw/zinc/92/90/10/1264929010.db2.gz YULSERONBHZHKJ-SFHVURJKSA-N 0 3 371.485 0.901 20 30 FCEDHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC(CC#N)CC2)CC1 ZINC001325696272 1264970349 /nfs/dbraw/zinc/97/03/49/1264970349.db2.gz OPPNULWEXYSWNM-MRXNPFEDSA-N 0 3 363.506 0.528 20 30 FCEDHN CN(CCC#N)C[C@H](O)CNCc1cccnc1N1CCC(C(N)=O)CC1 ZINC001326145391 1265067140 /nfs/dbraw/zinc/06/71/40/1265067140.db2.gz DLSMKAZKHDSOPF-QGZVFWFLSA-N 0 3 374.489 0.079 20 30 FCEDHN N#Cc1ccc(N2C[C@@H](C(=O)N[C@H](CO)CN3CCCCC3)CC2=O)cc1 ZINC001327375664 1265294850 /nfs/dbraw/zinc/29/48/50/1265294850.db2.gz IKYCWNNKFADDBK-IRXDYDNUSA-N 0 3 370.453 0.874 20 30 FCEDHN N#CC1(COC(=O)CN2CCNC(=O)C2)CCN(Cc2ccccc2)CC1 ZINC001526044157 1266780971 /nfs/dbraw/zinc/78/09/71/1266780971.db2.gz HEZRXGOBOHJMQU-UHFFFAOYSA-N 0 3 370.453 0.767 20 30 FCEDHN C=CCn1c(C2CCN(CCO)CC2)nnc1N(CC)CCC(=O)NC ZINC001338905798 1268118323 /nfs/dbraw/zinc/11/83/23/1268118323.db2.gz LZKICRUJAULGTE-UHFFFAOYSA-N 0 3 364.494 0.598 20 30 FCEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CC[C@@H](CS(N)(=O)=O)C1 ZINC001339484785 1268249967 /nfs/dbraw/zinc/24/99/67/1268249967.db2.gz QIVZRXSTUWCLRT-KGLIPLIRSA-N 0 3 368.507 0.388 20 30 FCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCC(=O)N(C)C ZINC001340673834 1268620833 /nfs/dbraw/zinc/62/08/33/1268620833.db2.gz OMTQEVTZDNOWEL-UHFFFAOYSA-N 0 3 373.457 0.043 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H](C)CCC(=O)OC(C)C)CC1 ZINC001341897898 1269257600 /nfs/dbraw/zinc/25/76/00/1269257600.db2.gz IXUYMUDWOKWIIU-CQSZACIVSA-N 0 3 353.463 0.990 20 30 FCEDHN COCCCN(C)CCNC(=O)C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC001342570966 1269520666 /nfs/dbraw/zinc/52/06/66/1269520666.db2.gz QCLSAFQMPOLBDJ-UHFFFAOYSA-N 0 3 366.849 0.912 20 30 FCEDHN Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CCCCN3C)CC2)c1C#N ZINC001342869782 1269654198 /nfs/dbraw/zinc/65/41/98/1269654198.db2.gz QYDABQIXCOWEJG-HNNXBMFYSA-N 0 3 359.478 0.916 20 30 FCEDHN CN(C)CCN(C)C(=O)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC001343274238 1269840087 /nfs/dbraw/zinc/84/00/87/1269840087.db2.gz HJDYQTPYNUDFCG-UHFFFAOYSA-N 0 3 373.457 0.779 20 30 FCEDHN COc1ccc(NC(=O)C(C#N)C(=O)COCc2nncn2C)cc1OC ZINC001343386067 1269889940 /nfs/dbraw/zinc/88/99/40/1269889940.db2.gz JFEXKNAWGNPWGR-LBPRGKRZSA-N 0 3 373.369 0.696 20 30 FCEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCCN2C(=O)CNC2=O)c1 ZINC001343983508 1270066764 /nfs/dbraw/zinc/06/67/64/1270066764.db2.gz VMBMLFMZDSAEKM-ZDUSSCGKSA-N 0 3 358.354 0.675 20 30 FCEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(C(=O)OCC)([S@](C)=O)CC1 ZINC001574852156 1271602442 /nfs/dbraw/zinc/60/24/42/1271602442.db2.gz QBLWBUFFXPMNOE-SAHAZLINSA-N 0 3 350.868 0.759 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)c1ccc(-c2c[nH]nn2)cc1 ZINC001574986231 1271688486 /nfs/dbraw/zinc/68/84/86/1271688486.db2.gz WQZQBQRNYQVSEB-KGLIPLIRSA-N 0 3 368.441 0.660 20 30 FCEDHN C#Cc1ccc(C(=O)N2CC3(C2)CCCN(CCc2cn[nH]n2)C3)nc1 ZINC001575021342 1271696494 /nfs/dbraw/zinc/69/64/94/1271696494.db2.gz FKWCOBJEMYZPGE-UHFFFAOYSA-N 0 3 350.426 0.962 20 30 FCEDHN C=C1CCC(C(=O)NC[C@H]2CCN([C@H](C)C(=O)NCc3c[nH]nn3)C2)CC1 ZINC001575061046 1271704594 /nfs/dbraw/zinc/70/45/94/1271704594.db2.gz AKEDJWBSHYVINO-HUUCEWRRSA-N 0 3 374.489 0.994 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H](CC)CNC(=O)c1cncc(-c2c[nH]nn2)c1 ZINC001575104997 1271721762 /nfs/dbraw/zinc/72/17/62/1271721762.db2.gz ZGAHAIPPJLHTNH-WFASDCNBSA-N 0 3 371.445 0.655 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@H](CC)CNC(=O)c1cncc(-c2c[nH]nn2)c1 ZINC001575104996 1271722519 /nfs/dbraw/zinc/72/25/19/1271722519.db2.gz ZGAHAIPPJLHTNH-SWLSCSKDSA-N 0 3 371.445 0.655 20 30 FCEDHN C[C@@H](C#N)C(=O)N(Cc1cn[nH]n1)C1CCN([C@@H]2CCCN(C)C2=O)CC1 ZINC001575178608 1271767835 /nfs/dbraw/zinc/76/78/35/1271767835.db2.gz PJVBNHKRQLTMPK-XJKSGUPXSA-N 0 3 373.461 0.378 20 30 FCEDHN C[C@H](C(=O)NCc1c[nH]nn1)N1CC[C@@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001575221123 1271809956 /nfs/dbraw/zinc/80/99/56/1271809956.db2.gz SFROLFPKJVMLQX-KGLIPLIRSA-N 0 3 360.462 0.297 20 30 FCEDHN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1[C@H](C)CNC[C@@H]1C ZINC001576250281 1273030873 /nfs/dbraw/zinc/03/08/73/1273030873.db2.gz DWYCSELRKNIZTB-FRRDWIJNSA-N 0 3 350.444 0.434 20 30 FCEDHN CCOC(=O)[C@H]1CNCCN1CC#CCN1C(=O)c2ccccc2C1=O ZINC001577936109 1275152834 /nfs/dbraw/zinc/15/28/34/1275152834.db2.gz OEVLUKXEQWOREC-MRXNPFEDSA-N 0 3 355.394 0.123 20 30 FCEDHN C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@H](O)c1cccc(-c2nnn[n-]2)c1 ZINC001579129997 1276818380 /nfs/dbraw/zinc/81/83/80/1276818380.db2.gz IQXVZIFAMPVVQH-HNNXBMFYSA-N 0 3 367.417 0.642 20 30 FCEDHN C[N@@H+](CCCc1[nH]nc(N)c1C#N)C[C@H](O)c1cccc(-c2nnn[n-]2)c1 ZINC001579129997 1276818396 /nfs/dbraw/zinc/81/83/96/1276818396.db2.gz IQXVZIFAMPVVQH-HNNXBMFYSA-N 0 3 367.417 0.642 20 30 FCEDHN C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001579129997 1276818407 /nfs/dbraw/zinc/81/84/07/1276818407.db2.gz IQXVZIFAMPVVQH-HNNXBMFYSA-N 0 3 367.417 0.642 20 30 FCEDHN C[N@@H+](CCCc1[nH]nc(N)c1C#N)C[C@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001579129997 1276818417 /nfs/dbraw/zinc/81/84/17/1276818417.db2.gz IQXVZIFAMPVVQH-HNNXBMFYSA-N 0 3 367.417 0.642 20 30 FCEDHN COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H](C)C#N)cc1-c1nnn[n-]1 ZINC001580022757 1277993442 /nfs/dbraw/zinc/99/34/42/1277993442.db2.gz OGBCZEVELNPOJT-VXGBXAGGSA-N 0 3 357.418 0.877 20 30 FCEDHN COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H](C)C#N)cc1-c1nn[n-]n1 ZINC001580022757 1277993444 /nfs/dbraw/zinc/99/34/44/1277993444.db2.gz OGBCZEVELNPOJT-VXGBXAGGSA-N 0 3 357.418 0.877 20 30 FCEDHN COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H](C)C#N)cc1-c1nnn[n-]1 ZINC001580022753 1277993585 /nfs/dbraw/zinc/99/35/85/1277993585.db2.gz OGBCZEVELNPOJT-NWDGAFQWSA-N 0 3 357.418 0.877 20 30 FCEDHN COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H](C)C#N)cc1-c1nn[n-]n1 ZINC001580022753 1277993588 /nfs/dbraw/zinc/99/35/88/1277993588.db2.gz OGBCZEVELNPOJT-NWDGAFQWSA-N 0 3 357.418 0.877 20 30 FCEDHN N#CCCC[C@H](N)C(=O)N1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC001580047795 1277998965 /nfs/dbraw/zinc/99/89/65/1277998965.db2.gz OXYQXVVEHDJZHA-KFWWJZLASA-N 0 3 352.435 0.904 20 30 FCEDHN COc1ccc(C#N)cc1CNC[C@@H](O)CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001716094574 1287371247 /nfs/dbraw/zinc/37/12/47/1287371247.db2.gz AMZXXIZTOSDKIU-LKCYJCQHSA-N 0 3 373.453 0.949 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588351381 1282445900 /nfs/dbraw/zinc/44/59/00/1282445900.db2.gz QZMVFOZBMUMPOI-PBHICJAKSA-N 0 3 367.457 0.559 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588355333 1282453117 /nfs/dbraw/zinc/45/31/17/1282453117.db2.gz GXQSLKFDZFBNGM-RYUDHWBXSA-N 0 3 360.393 0.638 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588355333 1282453126 /nfs/dbraw/zinc/45/31/26/1282453126.db2.gz GXQSLKFDZFBNGM-RYUDHWBXSA-N 0 3 360.393 0.638 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001588356638 1282460929 /nfs/dbraw/zinc/46/09/29/1282460929.db2.gz YVRRRSNRENHHTE-RYUDHWBXSA-N 0 3 360.393 0.638 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001588356638 1282460933 /nfs/dbraw/zinc/46/09/33/1282460933.db2.gz YVRRRSNRENHHTE-RYUDHWBXSA-N 0 3 360.393 0.638 20 30 FCEDHN C#CCOCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588358827 1282470743 /nfs/dbraw/zinc/47/07/43/1282470743.db2.gz BWVMUMFMPYBHAT-MRXNPFEDSA-N 0 3 354.414 0.597 20 30 FCEDHN C#CCO[C@H](C)C(=O)N(CC)CC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588358670 1282471312 /nfs/dbraw/zinc/47/13/12/1282471312.db2.gz UQHBDHNOWVIGNK-CQSZACIVSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCOCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001588358967 1282472729 /nfs/dbraw/zinc/47/27/29/1282472729.db2.gz FBBACYUECYDPRO-AWEZNQCLSA-N 0 3 372.404 0.736 20 30 FCEDHN C#CCOCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001588358967 1282472734 /nfs/dbraw/zinc/47/27/34/1282472734.db2.gz FBBACYUECYDPRO-AWEZNQCLSA-N 0 3 372.404 0.736 20 30 FCEDHN C#CCOCCC(=O)N(C)C[C@H](C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001588360453 1282478219 /nfs/dbraw/zinc/47/82/19/1282478219.db2.gz QAJJLLFVDHUEFX-ZDUSSCGKSA-N 0 3 374.420 0.982 20 30 FCEDHN C#CCOCCC(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588360897 1282480008 /nfs/dbraw/zinc/48/00/08/1282480008.db2.gz XQLIZROADVNBAY-AWEZNQCLSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCOCCC(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001588360897 1282480014 /nfs/dbraw/zinc/48/00/14/1282480014.db2.gz XQLIZROADVNBAY-AWEZNQCLSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCOCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1-c1nnn[n-]1 ZINC001588362152 1282487159 /nfs/dbraw/zinc/48/71/59/1282487159.db2.gz XEXUHVITOMGSPD-INIZCTEOSA-N 0 3 368.441 0.987 20 30 FCEDHN C#CCOCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1-c1nnn[n-]1 ZINC001588362152 1282487165 /nfs/dbraw/zinc/48/71/65/1282487165.db2.gz XEXUHVITOMGSPD-INIZCTEOSA-N 0 3 368.441 0.987 20 30 FCEDHN C=CC(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588475423 1282515706 /nfs/dbraw/zinc/51/57/06/1282515706.db2.gz NPOJTWAWOVNFNP-LBPRGKRZSA-N 0 3 362.409 0.785 20 30 FCEDHN C=CC(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588475423 1282515717 /nfs/dbraw/zinc/51/57/17/1282515717.db2.gz NPOJTWAWOVNFNP-LBPRGKRZSA-N 0 3 362.409 0.785 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)NC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001588502174 1282538455 /nfs/dbraw/zinc/53/84/55/1282538455.db2.gz RHOBMFATUGZHAC-APPDUMDISA-N 0 3 362.409 0.927 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)NC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001588502174 1282538465 /nfs/dbraw/zinc/53/84/65/1282538465.db2.gz RHOBMFATUGZHAC-APPDUMDISA-N 0 3 362.409 0.927 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)NC/C=C/C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588505886 1282548782 /nfs/dbraw/zinc/54/87/82/1282548782.db2.gz ZCLGKQUWFLKWKB-IPLHWJFFSA-N 0 3 356.430 0.956 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)NC/C=C/C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001588505886 1282548791 /nfs/dbraw/zinc/54/87/91/1282548791.db2.gz ZCLGKQUWFLKWKB-IPLHWJFFSA-N 0 3 356.430 0.956 20 30 FCEDHN C=C[C@](C)(O)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588509598 1282551254 /nfs/dbraw/zinc/55/12/54/1282551254.db2.gz XOQHTFBTOJOECN-DAYGRLMNSA-N 0 3 356.430 0.931 20 30 FCEDHN C=C[C@](C)(O)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001588509598 1282551260 /nfs/dbraw/zinc/55/12/60/1282551260.db2.gz XOQHTFBTOJOECN-DAYGRLMNSA-N 0 3 356.430 0.931 20 30 FCEDHN C=CCC[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001588578102 1282574117 /nfs/dbraw/zinc/57/41/17/1282574117.db2.gz WERCUYLGGUGVOW-OCCSQVGLSA-N 0 3 361.450 0.914 20 30 FCEDHN C=CCC[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001588578102 1282574125 /nfs/dbraw/zinc/57/41/25/1282574125.db2.gz WERCUYLGGUGVOW-OCCSQVGLSA-N 0 3 361.450 0.914 20 30 FCEDHN C=CCC[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001588578102 1282574129 /nfs/dbraw/zinc/57/41/29/1282574129.db2.gz WERCUYLGGUGVOW-OCCSQVGLSA-N 0 3 361.450 0.914 20 30 FCEDHN C=CCC[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001588578102 1282574141 /nfs/dbraw/zinc/57/41/41/1282574141.db2.gz WERCUYLGGUGVOW-OCCSQVGLSA-N 0 3 361.450 0.914 20 30 FCEDHN C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001588660144 1282612911 /nfs/dbraw/zinc/61/29/11/1282612911.db2.gz WVMKFFDUHZSKCG-YPMHNXCESA-N 0 3 372.433 0.080 20 30 FCEDHN C=CCOCC[N@H+]1C[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2C1 ZINC001588682533 1282640569 /nfs/dbraw/zinc/64/05/69/1282640569.db2.gz HNVPSURJQOARGB-OKILXGFUSA-N 0 3 357.418 0.401 20 30 FCEDHN C=CCOCC[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2C1 ZINC001588682533 1282640580 /nfs/dbraw/zinc/64/05/80/1282640580.db2.gz HNVPSURJQOARGB-OKILXGFUSA-N 0 3 357.418 0.401 20 30 FCEDHN C=CCOCC[N@H+]1C[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2C1 ZINC001588682533 1282640587 /nfs/dbraw/zinc/64/05/87/1282640587.db2.gz HNVPSURJQOARGB-OKILXGFUSA-N 0 3 357.418 0.401 20 30 FCEDHN C=CCOCC[N@@H+]1C[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2C1 ZINC001588682533 1282640600 /nfs/dbraw/zinc/64/06/00/1282640600.db2.gz HNVPSURJQOARGB-OKILXGFUSA-N 0 3 357.418 0.401 20 30 FCEDHN C=CCOCC[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001588682781 1282643119 /nfs/dbraw/zinc/64/31/19/1282643119.db2.gz JKGRXYHFMURYKT-CYBMUJFWSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCOCC[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001588682781 1282643127 /nfs/dbraw/zinc/64/31/27/1282643127.db2.gz JKGRXYHFMURYKT-CYBMUJFWSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCOCC[N@@H+]1CC[C@@H](CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001588683503 1282649951 /nfs/dbraw/zinc/64/99/51/1282649951.db2.gz WITBUKJBLGRANA-CYBMUJFWSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[N@H+]1CC[C@@H](CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001588683503 1282649971 /nfs/dbraw/zinc/64/99/71/1282649971.db2.gz WITBUKJBLGRANA-CYBMUJFWSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[N@@H+]1CC[C@@H](CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001588683503 1282649988 /nfs/dbraw/zinc/64/99/88/1282649988.db2.gz WITBUKJBLGRANA-CYBMUJFWSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[N@H+]1CC[C@@H](CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001588683503 1282650003 /nfs/dbraw/zinc/65/00/03/1282650003.db2.gz WITBUKJBLGRANA-CYBMUJFWSA-N 0 3 359.434 0.839 20 30 FCEDHN CC#CCCCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588737788 1282678119 /nfs/dbraw/zinc/67/81/19/1282678119.db2.gz INTBSNADQRZOAJ-KRWDZBQOSA-N 0 3 370.457 0.969 20 30 FCEDHN CC#CCCCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588737788 1282678137 /nfs/dbraw/zinc/67/81/37/1282678137.db2.gz INTBSNADQRZOAJ-KRWDZBQOSA-N 0 3 370.457 0.969 20 30 FCEDHN CC#CC[N@@H+](CCOC)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001588747474 1282686156 /nfs/dbraw/zinc/68/61/56/1282686156.db2.gz IDCKKVONPUOPRJ-UHFFFAOYSA-N 0 3 371.445 0.771 20 30 FCEDHN CC#CC[N@H+](CCOC)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001588747474 1282686167 /nfs/dbraw/zinc/68/61/67/1282686167.db2.gz IDCKKVONPUOPRJ-UHFFFAOYSA-N 0 3 371.445 0.771 20 30 FCEDHN CC(C)C#CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001589379758 1282855234 /nfs/dbraw/zinc/85/52/34/1282855234.db2.gz ABJCRXDPNRTUGI-INIZCTEOSA-N 0 3 356.430 0.435 20 30 FCEDHN CC(C)C#CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001589379758 1282855246 /nfs/dbraw/zinc/85/52/46/1282855246.db2.gz ABJCRXDPNRTUGI-INIZCTEOSA-N 0 3 356.430 0.435 20 30 FCEDHN CC(C)C#CC(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001589385106 1282861574 /nfs/dbraw/zinc/86/15/74/1282861574.db2.gz WXOKZLUYJYBKRX-MRXNPFEDSA-N 0 3 368.441 0.843 20 30 FCEDHN CC(C)C#CC(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001589385106 1282861584 /nfs/dbraw/zinc/86/15/84/1282861584.db2.gz WXOKZLUYJYBKRX-MRXNPFEDSA-N 0 3 368.441 0.843 20 30 FCEDHN COCC#CC[NH2+][C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1(C)C ZINC001591361153 1284495816 /nfs/dbraw/zinc/49/58/16/1284495816.db2.gz KCTVUDFHOBNVHU-AWEZNQCLSA-N 0 3 357.418 0.285 20 30 FCEDHN COCC#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001591361455 1284498034 /nfs/dbraw/zinc/49/80/34/1284498034.db2.gz MTBVSKCUJZIPRC-BBRMVZONSA-N 0 3 371.445 0.817 20 30 FCEDHN COCC#CC[NH2+]CC[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001591363165 1284499997 /nfs/dbraw/zinc/49/99/97/1284499997.db2.gz ZHDMNJFQIYGFAL-CQSZACIVSA-N 0 3 371.445 0.819 20 30 FCEDHN N#Cc1c[nH]c(C(=O)NCC[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC001592686123 1285583087 /nfs/dbraw/zinc/58/30/87/1285583087.db2.gz GHSWDIAHFTXHMQ-UHFFFAOYSA-N 0 3 354.349 0.725 20 30 FCEDHN C=C(CC[NH+](C)C)C(=O)Nc1cnn(-c2ncccc2-c2nnn[n-]2)c1 ZINC001602767733 1287107044 /nfs/dbraw/zinc/10/70/44/1287107044.db2.gz MBMZCFYGBYBESH-UHFFFAOYSA-N 0 3 353.390 0.894 20 30 FCEDHN C=C(CC[NH+](C)C)C(=O)Nc1cnn(-c2ncccc2-c2nn[n-]n2)c1 ZINC001602767733 1287107049 /nfs/dbraw/zinc/10/70/49/1287107049.db2.gz MBMZCFYGBYBESH-UHFFFAOYSA-N 0 3 353.390 0.894 20 30 FCEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC001609055791 1288890712 /nfs/dbraw/zinc/89/07/12/1288890712.db2.gz VVULHYBHAMERBY-HNNXBMFYSA-N 0 3 369.429 0.235 20 30 FCEDHN C#CCNC(=O)[C@H](C)[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cn[n-]n1 ZINC001692114673 1289401590 /nfs/dbraw/zinc/40/15/90/1289401590.db2.gz PZDFKCULWDDJCW-IJEWVQPXSA-N 0 3 360.462 0.553 20 30 FCEDHN COCC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nccn4C3)C[C@@H]2C1 ZINC001692267529 1289439282 /nfs/dbraw/zinc/43/92/82/1289439282.db2.gz MZRYKLBONHNSCX-KURKYZTESA-N 0 3 356.470 0.876 20 30 FCEDHN C=CCOCC(=O)N[C@H]1CCN(C[C@H]2CCN(S(C)(=O)=O)C2)[C@@H]1C ZINC001692348207 1289447656 /nfs/dbraw/zinc/44/76/56/1289447656.db2.gz NRXVMJFJKKLXGW-KFWWJZLASA-N 0 3 359.492 0.050 20 30 FCEDHN CCN1CCN(CCCn2c(C3CC3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001695900888 1289495817 /nfs/dbraw/zinc/49/58/17/1289495817.db2.gz KMRXGNCPTIRYBD-KRWDZBQOSA-N 0 3 373.505 0.912 20 30 FCEDHN C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)N(C)C ZINC001611478701 1289651702 /nfs/dbraw/zinc/65/17/02/1289651702.db2.gz LMULROGQDQKYTI-KGLIPLIRSA-N 0 3 361.450 0.193 20 30 FCEDHN COCCN(C)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1 ZINC001619880722 1289966017 /nfs/dbraw/zinc/96/60/17/1289966017.db2.gz BURQVDJPQDOSTP-LSDHHAIUSA-N 0 3 364.450 0.089 20 30 FCEDHN C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCN(C)CCO)cc1 ZINC001623740245 1290234719 /nfs/dbraw/zinc/23/47/19/1290234719.db2.gz LNPOXRNSJUSZBI-LBPRGKRZSA-N 0 3 354.432 0.418 20 30 FCEDHN COc1cc(C#N)ccc1OCC(=O)NCC(=O)NCCN1CCCCC1 ZINC001627548479 1290469799 /nfs/dbraw/zinc/46/97/99/1290469799.db2.gz JQCUQACJSHNELM-UHFFFAOYSA-N 0 3 374.441 0.664 20 30 FCEDHN C=CCN1CC[C@H](NCCN(CCO)C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1=O ZINC001754887184 1290637833 /nfs/dbraw/zinc/63/78/33/1290637833.db2.gz CXAVBIZDABNQNE-OAGGEKHMSA-N 0 3 351.491 0.866 20 30 FCEDHN C#CCNC(=O)[C@@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)COCC(F)F ZINC001691830794 1294930545 /nfs/dbraw/zinc/93/05/45/1294930545.db2.gz OMXRALYORDAVAV-MCIONIFRSA-N 0 3 359.417 0.623 20 30 FCEDHN CNC(=O)CN1CCCC12CCN(c1ncc(C#N)cc1C(=O)OC)CC2 ZINC001164689863 719753297 /nfs/dbraw/zinc/75/32/97/719753297.db2.gz MPFDNHOXLQGSDE-UHFFFAOYSA-N 0 3 371.441 0.921 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1n1ccnn1 ZINC001070228308 837636493 /nfs/dbraw/zinc/63/64/93/837636493.db2.gz SRTGXNFPTGYRPO-ZNMIVQPWSA-N 0 3 367.475 0.021 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C[C@H]1c1cncn1C ZINC001070665880 837668190 /nfs/dbraw/zinc/66/81/90/837668190.db2.gz XERNBBUQKLNFCU-RRFJBIMHSA-N 0 3 366.487 0.315 20 30 FCEDHN C=C(Cl)CN[C@@H]1CN(C(=O)CCc2cn[nH]n2)C[C@H]1c1cncn1C ZINC001070690899 837672884 /nfs/dbraw/zinc/67/28/84/837672884.db2.gz SXILSHIJKZOQNM-ZIAGYGMSSA-N 0 3 363.853 0.808 20 30 FCEDHN C=C(Cl)CN[C@@H]1CN(C(=O)CCc2c[nH]nn2)C[C@H]1c1cncn1C ZINC001070690899 837672890 /nfs/dbraw/zinc/67/28/90/837672890.db2.gz SXILSHIJKZOQNM-ZIAGYGMSSA-N 0 3 363.853 0.808 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)CCn2cc(Cl)cn2)C[C@H]1c1cncn1C ZINC001070721725 837678504 /nfs/dbraw/zinc/67/85/04/837678504.db2.gz XQCJDUBJEGOKKQ-HUUCEWRRSA-N 0 3 360.849 0.878 20 30 FCEDHN C=C(Cl)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001071036292 837712713 /nfs/dbraw/zinc/71/27/13/837712713.db2.gz HEYMQIRDARXKLW-HIFRSBDPSA-N 0 3 354.842 0.411 20 30 FCEDHN C=C(Cl)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC001071053111 837719994 /nfs/dbraw/zinc/71/99/94/837719994.db2.gz CRYCHPJZKJAPKE-MCIONIFRSA-N 0 3 357.838 0.833 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)[C@@H]2CN(C(C)=O)CCO2)C[C@H]1C(F)(F)F ZINC001099335910 844030358 /nfs/dbraw/zinc/03/03/58/844030358.db2.gz GBQBDYXNLGKPID-MCIONIFRSA-N 0 3 363.380 0.789 20 30 FCEDHN C#CCNC(=O)CC(=O)N1C[C@H]2CN(Cc3scnc3C)C[C@@]2(C)C1 ZINC001101207508 844103316 /nfs/dbraw/zinc/10/33/16/844103316.db2.gz FXXQHDGCAMFMLY-KDOFPFPSSA-N 0 3 360.483 0.871 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)N1C[C@H]2CN(CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101219032 844108978 /nfs/dbraw/zinc/10/89/78/844108978.db2.gz PTGDGOONNGUBFO-FHLIZLRMSA-N 0 3 350.463 0.119 20 30 FCEDHN C[C@@H](CC(=O)N1CCNC(C)(C)C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000747921177 836272432 /nfs/dbraw/zinc/27/24/32/836272432.db2.gz NPMAPBKKBNRPDU-LBPRGKRZSA-N 0 3 364.471 0.714 20 30 FCEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@]2(C)C1 ZINC001101346153 844153535 /nfs/dbraw/zinc/15/35/35/844153535.db2.gz XWXVUXYFMDRRMO-IYOUNJFTSA-N 0 3 350.463 0.065 20 30 FCEDHN COCC#CCN1C[C@@H]2CN(C(=O)Cn3cc(Cl)cn3)C[C@]2(C)C1 ZINC001101376842 844166354 /nfs/dbraw/zinc/16/63/54/844166354.db2.gz LASRPAUNOXOTPH-PBHICJAKSA-N 0 3 350.850 0.967 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CN(C(=O)CN(C)CCC)CCO1 ZINC001065410336 836837853 /nfs/dbraw/zinc/83/78/53/836837853.db2.gz PGIBIDDOEUQQMM-XHSDSOJGSA-N 0 3 353.463 0.263 20 30 FCEDHN C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001076986021 838193906 /nfs/dbraw/zinc/19/39/06/838193906.db2.gz HLYLFJWHEUSOCZ-HZSPNIEDSA-N 0 3 360.296 0.929 20 30 FCEDHN C#CCNC(=O)CC(=O)NC[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1C ZINC001101900865 844313398 /nfs/dbraw/zinc/31/33/98/844313398.db2.gz XVXAMIUGKUJWQD-ZIAGYGMSSA-N 0 3 358.467 0.943 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)c2cnn(C)c2Cl)[C@H](C)C1 ZINC001102090905 844410188 /nfs/dbraw/zinc/41/01/88/844410188.db2.gz JHDOUXADTVLMJY-JHJVBQTASA-N 0 3 365.865 0.509 20 30 FCEDHN C#CCCCCCC(=O)NC[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102229257 844450331 /nfs/dbraw/zinc/45/03/31/844450331.db2.gz YNSJZZLFTLMUPR-RBSFLKMASA-N 0 3 350.463 0.838 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1C ZINC001102386542 844481549 /nfs/dbraw/zinc/48/15/49/844481549.db2.gz PEUHEAOGBPISPR-FPCVCCKLSA-N 0 3 373.519 0.153 20 30 FCEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)[C@H](OC)C1 ZINC001081988023 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/nfs/dbraw/zinc/27/43/15/857274315.db2.gz QSLRLFPOIGBVSN-BRWVUGGUSA-N 0 3 370.515 0.868 20 30 FCEDHN CCCN(CC)C[C@H](C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC001229570479 857275523 /nfs/dbraw/zinc/27/55/23/857275523.db2.gz WMQUFTVBFZLJMR-OFQRWUPVSA-N 0 3 356.492 0.687 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCN(C(C)=O)C1 ZINC001229978602 857295827 /nfs/dbraw/zinc/29/58/27/857295827.db2.gz YICLBFRXBIWLEH-BZUAXINKSA-N 0 3 350.463 0.174 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)[C@H](C)CC ZINC001230172465 857309690 /nfs/dbraw/zinc/30/96/90/857309690.db2.gz YKYNDBGANHVAKY-RBSFLKMASA-N 0 3 352.479 0.468 20 30 FCEDHN CCOCCO[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N ZINC001230242784 857316565 /nfs/dbraw/zinc/31/65/65/857316565.db2.gz HTBNHFHMBGLLGF-RBSFLKMASA-N 0 3 354.451 0.085 20 30 FCEDHN C=C(C)CN1CCS(=O)(=O)[C@@H](CCNC(=O)[C@@H]2CCN(C)[C@@H]2C)C1 ZINC001230462474 857335627 /nfs/dbraw/zinc/33/56/27/857335627.db2.gz PKDCUWHMQLSPOH-OWCLPIDISA-N 0 3 357.520 0.508 20 30 FCEDHN C=CCN1CCS(=O)(=O)[C@@H](CCNC(=O)[C@H]2CCN(C)[C@@H]2CC)C1 ZINC001230467692 857336264 /nfs/dbraw/zinc/33/62/64/857336264.db2.gz UQXBOHQTVTVFIA-HRCADAONSA-N 0 3 357.520 0.508 20 30 FCEDHN C=CCOC[C@@H]1CN(S(=O)(=O)CCN)Cc2nnn(CC3CC3)c21 ZINC001239076541 857506113 /nfs/dbraw/zinc/50/61/13/857506113.db2.gz DHDRAPXSVVFGTK-ZDUSSCGKSA-N 0 3 355.464 0.078 20 30 FCEDHN C#CCOC[C@H](O)CN[C@@H](CO)[C@@H](O)c1ccc(Br)cc1 ZINC001251821861 857753752 /nfs/dbraw/zinc/75/37/52/857753752.db2.gz YRSJYXHFTOJHSB-ILXRZTDVSA-N 0 3 358.232 0.444 20 30 FCEDHN C#CCOC[C@@H](O)CN1CC[C@H]2C(=O)N(c3ccsc3)CCO[C@H]2C1 ZINC001251843369 857759623 /nfs/dbraw/zinc/75/96/23/857759623.db2.gz JPHYYMIEFVWLQD-BBWFWOEESA-N 0 3 364.467 0.813 20 30 FCEDHN C[C@@](O)(CNC[C@@H](O)CO)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252330690 857793685 /nfs/dbraw/zinc/79/36/85/857793685.db2.gz IVDKYBFEPBGFNC-BXUZGUMPSA-N 0 3 361.320 0.209 20 30 FCEDHN C=CCN1CCC[C@H](N[C@H](C)CCS(=O)(=O)CCC(=O)OC)C1=O ZINC001257922081 858164815 /nfs/dbraw/zinc/16/48/15/858164815.db2.gz BCMKOSSJGYYGNM-KGLIPLIRSA-N 0 3 360.476 0.510 20 30 FCEDHN CCN1C[C@@H](C)N(c2nnc(C[C@H](O)CC#N)n2CCOC)C[C@H]1C ZINC001263244020 859136216 /nfs/dbraw/zinc/13/62/16/859136216.db2.gz OCBPJZMPKIPPFW-RBSFLKMASA-N 0 3 350.467 0.660 20 30 FCEDHN CN(C)CCN1C[C@@]2(F)CN(C(=O)c3ccc(C#N)s3)C[C@@]2(F)C1=O ZINC001274211814 860707467 /nfs/dbraw/zinc/70/74/67/860707467.db2.gz VUTYOZKQOZHLCN-HZPDHXFCSA-N 0 3 368.409 0.896 20 30 FCEDHN CS(=O)(=O)CCNC(=O)C12CC(NCc3cc(F)cc(C#N)c3)(C1)C2 ZINC001279821784 863083956 /nfs/dbraw/zinc/08/39/56/863083956.db2.gz JPPRZMJFWUWJCI-UHFFFAOYSA-N 0 3 365.430 0.870 20 30 FCEDHN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CCCCN1C ZINC001304581209 866536638 /nfs/dbraw/zinc/53/66/38/866536638.db2.gz RCVPVTAJLLJFGF-DZGCQCFKSA-N 0 3 364.471 0.826 20 30 FCEDHN CCCN(CC)C[C@@H](C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC001312794362 867198488 /nfs/dbraw/zinc/19/84/88/867198488.db2.gz WMQUFTVBFZLJMR-YCPHGPKFSA-N 0 3 356.492 0.687 20 30 FCEDHN COCCN(C)CCn1c([C@H]2CCOC2)nnc1N(C)C[C@H](C)C#N ZINC001316070928 867342378 /nfs/dbraw/zinc/34/23/78/867342378.db2.gz GAWDZWQLEDWWNQ-CABCVRRESA-N 0 3 350.467 0.956 20 30 FCEDHN C=CCn1c(CNS(=O)(=O)CC)nnc1N1CCN([C@@H](C)CC)CC1 ZINC001356148136 867945214 /nfs/dbraw/zinc/94/52/14/867945214.db2.gz GDDIVCIBOOODON-AWEZNQCLSA-N 0 3 370.523 0.824 20 30 FCEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)CC1 ZINC001319832821 868015228 /nfs/dbraw/zinc/01/52/28/868015228.db2.gz UISPPQHYAKJLKZ-NVXWUHKLSA-N 0 3 371.503 0.672 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H](C)COCC(F)(F)F)CC1 ZINC001323679420 869307213 /nfs/dbraw/zinc/30/72/13/869307213.db2.gz PBIVXTATJFAHFC-NSHDSACASA-N 0 3 351.369 0.837 20 30 FCEDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@](C)(C#N)C1 ZINC001325670469 869978994 /nfs/dbraw/zinc/97/89/94/869978994.db2.gz KQLDVFAWEHUVOR-CRAIPNDOSA-N 0 3 350.463 0.708 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H]2CCN(C(=O)OCC)C2)CC1 ZINC001343333251 870368620 /nfs/dbraw/zinc/36/86/20/870368620.db2.gz CITLOBVOIRFGJW-AWEZNQCLSA-N 0 3 352.435 0.100 20 30 FCEDHN Cn1cc(S(=O)(=O)N2CCC(NC[C@@H](C#N)CCC#N)CC2)cn1 ZINC001326584239 870396373 /nfs/dbraw/zinc/39/63/73/870396373.db2.gz NEWFYBMKWAMHQE-CYBMUJFWSA-N 0 3 350.448 0.606 20 30 FCEDHN N#CCCC[C@H](N)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001328298938 871344658 /nfs/dbraw/zinc/34/46/58/871344658.db2.gz ACZCTACEPGMQLE-INIZCTEOSA-N 0 3 364.471 0.559 20 30 FCEDHN C#CCN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001573281584 946677191 /nfs/dbraw/zinc/67/71/91/946677191.db2.gz ABICCDGTSDTUQY-GFCCVEGCSA-N 0 3 357.418 0.115 20 30 FCEDHN C#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573282205 946685915 /nfs/dbraw/zinc/68/59/15/946685915.db2.gz GPAGLMRYDJUDTF-ZIEJDFEHSA-N 0 3 351.414 0.610 20 30 FCEDHN C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573282205 946685921 /nfs/dbraw/zinc/68/59/21/946685921.db2.gz GPAGLMRYDJUDTF-ZIEJDFEHSA-N 0 3 351.414 0.610 20 30 FCEDHN C#CCO[C@H](C)C(=O)NCC1CC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573287607 946844252 /nfs/dbraw/zinc/84/42/52/946844252.db2.gz OASKYMHCIISBCB-BZOOQXSSSA-N 0 3 368.441 0.889 20 30 FCEDHN C#CCO[C@H](C)C(=O)NCC1CC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573287607 946844261 /nfs/dbraw/zinc/84/42/61/946844261.db2.gz OASKYMHCIISBCB-BZOOQXSSSA-N 0 3 368.441 0.889 20 30 FCEDHN C#CCOCCC(=O)N(C)CC[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573288667 946872516 /nfs/dbraw/zinc/87/25/16/946872516.db2.gz XNOICXNCALHUSG-UHFFFAOYSA-N 0 3 360.393 0.594 20 30 FCEDHN C#CCOCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001573289709 946892122 /nfs/dbraw/zinc/89/21/22/946892122.db2.gz PKHINOJZMNVZRJ-VQFNDLOPSA-N 0 3 366.425 0.453 20 30 FCEDHN C#CCOCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001573289709 946892130 /nfs/dbraw/zinc/89/21/30/946892130.db2.gz PKHINOJZMNVZRJ-VQFNDLOPSA-N 0 3 366.425 0.453 20 30 FCEDHN C=C(C)CC[NH+]1CCN(CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573293881 946969783 /nfs/dbraw/zinc/96/97/83/946969783.db2.gz MXLCKLSOJYUIBX-UHFFFAOYSA-N 0 3 358.450 0.508 20 30 FCEDHN C=C(C)CC[NH+]1CCN(CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573293881 946969791 /nfs/dbraw/zinc/96/97/91/946969791.db2.gz MXLCKLSOJYUIBX-UHFFFAOYSA-N 0 3 358.450 0.508 20 30 FCEDHN C[C@@H](C#N)C(=O)NC1(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC001573572125 947109165 /nfs/dbraw/zinc/10/91/65/947109165.db2.gz FJFLCEIDEUMFEQ-ZDUSSCGKSA-N 0 3 369.429 0.781 20 30 FCEDHN C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573335507 947479026 /nfs/dbraw/zinc/47/90/26/947479026.db2.gz PZJBGTCVCVINJL-CYBMUJFWSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCCC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573335507 947479031 /nfs/dbraw/zinc/47/90/31/947479031.db2.gz PZJBGTCVCVINJL-CYBMUJFWSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573335507 947479035 /nfs/dbraw/zinc/47/90/35/947479035.db2.gz PZJBGTCVCVINJL-CYBMUJFWSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCCC[N@H+]1CCCO[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573335507 947479044 /nfs/dbraw/zinc/47/90/44/947479044.db2.gz PZJBGTCVCVINJL-CYBMUJFWSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCN1CC[C@H]([NH2+][C@@H](C)CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1=O ZINC001573342177 947539318 /nfs/dbraw/zinc/53/93/18/947539318.db2.gz XIYIWLFYPZSUHU-AAEUAGOBSA-N 0 3 372.433 0.080 20 30 FCEDHN C=CCn1cc(C(=O)N(C)CC[NH2+]Cc2cccc(-c3nnn[n-]3)c2)nn1 ZINC001573349048 947590891 /nfs/dbraw/zinc/59/08/91/947590891.db2.gz YJNQPWMKTJVQBA-UHFFFAOYSA-N 0 3 367.417 0.506 20 30 FCEDHN C=CCn1cc(C(=O)N(C)CC[NH2+]Cc2cccc(-c3nn[n-]n3)c2)nn1 ZINC001573349048 947590898 /nfs/dbraw/zinc/59/08/98/947590898.db2.gz YJNQPWMKTJVQBA-UHFFFAOYSA-N 0 3 367.417 0.506 20 30 FCEDHN CCN1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000294812490 214266960 /nfs/dbraw/zinc/26/69/60/214266960.db2.gz PTJDLIGKTZJXJS-INIZCTEOSA-N 0 3 372.473 0.766 20 30 FCEDHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000195155047 530062086 /nfs/dbraw/zinc/06/20/86/530062086.db2.gz DJWDCNNQZAFGSG-HNNXBMFYSA-N 0 3 362.455 0.485 20 30 FCEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC[C@@H](CS(N)(=O)=O)C2)cc1 ZINC000265067387 210046949 /nfs/dbraw/zinc/04/69/49/210046949.db2.gz VGPOZDNUFIGWMJ-CABCVRRESA-N 0 3 353.444 0.298 20 30 FCEDHN C[C@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000284116222 213078674 /nfs/dbraw/zinc/07/86/74/213078674.db2.gz UYPNHGOTDYJNOK-HNNXBMFYSA-N 0 3 371.485 0.878 20 30 FCEDHN COCCN(C)CCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000277070388 212324925 /nfs/dbraw/zinc/32/49/25/212324925.db2.gz BMCLQPGZRALZKR-QGZVFWFLSA-N 0 3 373.457 0.537 20 30 FCEDHN C[NH+](C)CCOc1cc(C[N-]S(=O)(=O)c2cccnc2C#N)ccn1 ZINC000276952265 212311842 /nfs/dbraw/zinc/31/18/42/212311842.db2.gz BVICOFVEUNSZFQ-UHFFFAOYSA-N 0 3 361.427 0.767 20 30 FCEDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000187387772 209211233 /nfs/dbraw/zinc/21/12/33/209211233.db2.gz VFPBCVXKSWGQFE-ZDUSSCGKSA-N 0 3 361.421 0.778 20 30 FCEDHN CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000419957717 246388283 /nfs/dbraw/zinc/38/82/83/246388283.db2.gz PCNVKNAWPNGFSO-ROUUACIJSA-N 0 3 371.485 0.713 20 30 FCEDHN N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)CC1 ZINC000423588446 247064925 /nfs/dbraw/zinc/06/49/25/247064925.db2.gz FAHOZEIBPRZVQT-AWEZNQCLSA-N 0 3 373.432 0.686 20 30 FCEDHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)[C@H]1CN ZINC000423740829 247135445 /nfs/dbraw/zinc/13/54/45/247135445.db2.gz SIJJSXPOMJLMAO-ZBFHGGJFSA-N 0 3 370.457 0.188 20 30 FCEDHN C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)[C@@H]1CN ZINC000423748050 247137517 /nfs/dbraw/zinc/13/75/17/247137517.db2.gz ZFAFAQXXUGQMKR-FVQBIDKESA-N 0 3 371.441 0.519 20 30 FCEDHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@@H](N)CCCC#N)CC1 ZINC000424064455 247164817 /nfs/dbraw/zinc/16/48/17/247164817.db2.gz OCCNLGCBMPGCBY-ZDUSSCGKSA-N 0 3 369.447 0.146 20 30 FCEDHN COc1cccc(CC(=O)N2CCN(C(=O)[C@H](N)CCCC#N)CC2)c1 ZINC000424114982 247169635 /nfs/dbraw/zinc/16/96/35/247169635.db2.gz TYMKYBPWKTWLGL-QGZVFWFLSA-N 0 3 358.442 0.930 20 30 FCEDHN COC(=O)c1ccsc1N1CC[C@@H](NC(=O)[C@@H](N)CCCC#N)C1=O ZINC000424134014 247171399 /nfs/dbraw/zinc/17/13/99/247171399.db2.gz AJZSYFRNGDLDIG-NWDGAFQWSA-N 0 3 364.427 0.777 20 30 FCEDHN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)[C@@H](N)CCCC#N)CC2)C1 ZINC000424135864 247171851 /nfs/dbraw/zinc/17/18/51/247171851.db2.gz MYZXTEPXKKDQKQ-ZACQAIPSSA-N 0 3 363.506 0.656 20 30 FCEDHN C=CCn1cc(CNC(=O)NCc2ccncc2OCCN(C)C)nn1 ZINC000425531544 247349673 /nfs/dbraw/zinc/34/96/73/247349673.db2.gz APHPUDSYGLIHBR-UHFFFAOYSA-N 0 3 359.434 0.799 20 30 FCEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCCN1CCCO ZINC000453802087 249369751 /nfs/dbraw/zinc/36/97/51/249369751.db2.gz BOOPONODZRHOLY-OAHLLOKOSA-N 0 3 374.441 0.858 20 30 FCEDHN CS(=O)(=O)N1CC[C@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000471047975 250087548 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CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000268999230 210893849 /nfs/dbraw/zinc/89/38/49/210893849.db2.gz IWPFLKLPPLJRHJ-MRXNPFEDSA-N 0 3 369.425 0.262 20 30 FCEDHN Cn1cc(CN2CCC(Oc3cccc(C#N)c3)CC2)c(=O)n(C)c1=O ZINC000092034400 208143796 /nfs/dbraw/zinc/14/37/96/208143796.db2.gz UXEXIRITOBOQCL-UHFFFAOYSA-N 0 3 354.410 0.999 20 30 FCEDHN CCN(CC)CC(=O)N1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000103492591 208178589 /nfs/dbraw/zinc/17/85/89/208178589.db2.gz LRMFGMPBAOCSBP-GOSISDBHSA-N 0 3 374.485 0.784 20 30 FCEDHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000118895761 208352799 /nfs/dbraw/zinc/35/27/99/208352799.db2.gz QQJPENVLAKJZAI-OAHLLOKOSA-N 0 3 357.458 0.887 20 30 FCEDHN [NH2+]=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCOCC1 ZINC000130680739 229179499 /nfs/dbraw/zinc/17/94/99/229179499.db2.gz FSBLMPNQCXDKNY-UHFFFAOYSA-N 0 3 352.869 0.327 20 30 FCEDHN C[C@H](C(=O)NCC1(O)CCN(C)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000330005018 229742734 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/nfs/dbraw/zinc/41/50/93/488415093.db2.gz FSFAOLZNPAJSJT-UHFFFAOYSA-N 0 3 371.441 0.532 20 30 FCEDHN CCN1CCC[C@@H]1CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000246392801 488472251 /nfs/dbraw/zinc/47/22/51/488472251.db2.gz BDYAVFHFBOSMNZ-DZGCQCFKSA-N 0 3 364.471 0.826 20 30 FCEDHN C[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000554519484 491207591 /nfs/dbraw/zinc/20/75/91/491207591.db2.gz RVYSWDVWNGLNPQ-OFQRWUPVSA-N 0 3 356.492 0.698 20 30 FCEDHN C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC2=CCN(C)CC2)cc1 ZINC000271872788 488551168 /nfs/dbraw/zinc/55/11/68/488551168.db2.gz KGKXCVLHFCLJSO-UHFFFAOYSA-N 0 3 356.426 0.919 20 30 FCEDHN C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(N2CCCN(C)CC2)cc1 ZINC000272029619 488559400 /nfs/dbraw/zinc/55/94/00/488559400.db2.gz OQBIIRCXHIUFHP-UHFFFAOYSA-N 0 3 373.457 0.185 20 30 FCEDHN CN(CCCc1[nH]nc(N)c1C#N)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000120295072 488560854 /nfs/dbraw/zinc/56/08/54/488560854.db2.gz WOPOZQGJHVBLLU-HNNXBMFYSA-N 0 3 356.434 0.657 20 30 FCEDHN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000120361107 488561429 /nfs/dbraw/zinc/56/14/29/488561429.db2.gz PZTZTMDXBHGVNE-HIFRSBDPSA-N 0 3 364.471 0.683 20 30 FCEDHN Cc1ccc(S(=O)(=O)NCCNC[C@@H](O)CN(C)CCC#N)s1 ZINC000562995841 491206459 /nfs/dbraw/zinc/20/64/59/491206459.db2.gz GFPCTEVWMYCDEO-CYBMUJFWSA-N 0 3 360.505 0.131 20 30 FCEDHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000123149685 488583333 /nfs/dbraw/zinc/58/33/33/488583333.db2.gz NOTTZDIMKYFCRS-INIZCTEOSA-N 0 3 362.455 0.485 20 30 FCEDHN CN(C)C[C@@](C)(O)CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272842443 488610524 /nfs/dbraw/zinc/61/05/24/488610524.db2.gz RNUJXACQYUAWIO-APWZRJJASA-N 0 3 373.457 0.665 20 30 FCEDHN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@](C)(O)CN(C)C ZINC000153020777 488726078 /nfs/dbraw/zinc/72/60/78/488726078.db2.gz GYKXLIVWTCRPGC-GOSISDBHSA-N 0 3 358.446 0.579 20 30 FCEDHN CCOC(=O)CO/N=C(/C(=O)NCCN(CC)C1CC1)c1cc[nH]n1 ZINC000276632308 488785996 /nfs/dbraw/zinc/78/59/96/488785996.db2.gz SZCREDUOHDHPCZ-HMMYKYKNSA-N 0 3 351.407 0.294 20 30 FCEDHN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000161599975 488798080 /nfs/dbraw/zinc/79/80/80/488798080.db2.gz GWYOAHFYHOLJCL-ZFWWWQNUSA-N 0 3 364.471 0.778 20 30 FCEDHN CCOC(=O)CON=C(C(=O)N(C)CC1CCN(C)CC1)c1ccn[nH]1 ZINC000278073076 488798854 /nfs/dbraw/zinc/79/88/54/488798854.db2.gz WEBHGRHYNJGWBC-CAPFRKAQSA-N 0 3 365.434 0.494 20 30 FCEDHN COCCCN1CCC(NC(=O)CNC(=O)c2ccc(C#N)cc2)CC1 ZINC000171122774 488819890 /nfs/dbraw/zinc/81/98/90/488819890.db2.gz OKSUPIUGSMELKX-UHFFFAOYSA-N 0 3 358.442 0.905 20 30 FCEDHN Cc1nnc([C@H]2CCCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)C2)[nH]1 ZINC000329270468 488987508 /nfs/dbraw/zinc/98/75/08/488987508.db2.gz HCVIOIMONUBIHR-IRXDYDNUSA-N 0 3 373.505 0.985 20 30 FCEDHN CO[C@@H]1CCC[C@@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000329348743 488996410 /nfs/dbraw/zinc/99/64/10/488996410.db2.gz CWHLIPZNJAHNCJ-OWCLPIDISA-N 0 3 352.479 0.954 20 30 FCEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1C[C@H](N2CCOCC2)C[C@H]1C ZINC000329426387 489003368 /nfs/dbraw/zinc/00/33/68/489003368.db2.gz GNPJQBSAWGHDST-KZNAEPCWSA-N 0 3 367.538 0.721 20 30 FCEDHN C[C@@H]1CN(C[C@@H]2CCCN2C(=O)NC[C@@H]2CN(C)CCN2C)C[C@H](C)O1 ZINC000329479406 489008629 /nfs/dbraw/zinc/00/86/29/489008629.db2.gz QLZAHUWSSVMRQR-XWTMOSNGSA-N 0 3 367.538 0.720 20 30 FCEDHN CN(C)C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)CCO1 ZINC000329573956 489016969 /nfs/dbraw/zinc/01/69/69/489016969.db2.gz ROVXEGUMLINFCD-CVEARBPZSA-N 0 3 361.446 0.753 20 30 FCEDHN O=C(N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)N1CCN2CCC[C@@H]2C1 ZINC000329707408 489028966 /nfs/dbraw/zinc/02/89/66/489028966.db2.gz LOTVHCWIENYSJX-ZIAGYGMSSA-N 0 3 356.492 0.637 20 30 FCEDHN O=C(N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)N1CCN2CCC[C@H]2C1 ZINC000329707407 489029402 /nfs/dbraw/zinc/02/94/02/489029402.db2.gz LOTVHCWIENYSJX-KGLIPLIRSA-N 0 3 356.492 0.637 20 30 FCEDHN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)CC1 ZINC000329744740 489032616 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CCN1CCC[C@@H]1CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000503947748 490782614 /nfs/dbraw/zinc/78/26/14/490782614.db2.gz WNXFNICIAPJYLX-OAHLLOKOSA-N 0 3 364.471 0.779 20 30 FCEDHN C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000572257806 491358950 /nfs/dbraw/zinc/35/89/50/491358950.db2.gz AKBODYJEJJQHBY-IXDOHACOSA-N 0 3 370.453 0.060 20 30 FCEDHN CC1(C)CN(CC#CCN2C(=O)c3ccccc3C2=O)CCN1CCO ZINC000528465342 490799484 /nfs/dbraw/zinc/79/94/84/490799484.db2.gz IAEGFQFHKPTYBK-UHFFFAOYSA-N 0 3 355.438 0.675 20 30 FCEDHN O=C1c2ccccc2C(=O)N1CC#CCN[C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000528497455 490804208 /nfs/dbraw/zinc/80/42/08/490804208.db2.gz PWEFHWMOMWJKEK-AEFFLSMTSA-N 0 3 351.406 0.933 20 30 FCEDHN COc1cc([C@@H](C#N)NC(=O)C(C)S(C)(=O)=O)cc(OC)c1OC ZINC000505554177 490833397 /nfs/dbraw/zinc/83/33/97/490833397.db2.gz VSKBCPISNUIKKC-GXSJLCMTSA-N 0 3 356.400 0.826 20 30 FCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC(=O)N1CCNCC1 ZINC000557206269 491359854 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N#Cc1ccc(NC(=O)C(=O)NCC(=O)NCCN2CCCCCC2)cc1 ZINC000560253241 491526786 /nfs/dbraw/zinc/52/67/86/491526786.db2.gz KTNNAHWKXNVGGD-UHFFFAOYSA-N 0 3 371.441 0.605 20 30 FCEDHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc(C#N)c(C)n2)CC1=O ZINC000560588792 491545784 /nfs/dbraw/zinc/54/57/84/491545784.db2.gz FTZZWXYYSXNRHK-OAHLLOKOSA-N 0 3 359.430 0.171 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000568356279 491571272 /nfs/dbraw/zinc/57/12/72/491571272.db2.gz AKZYCYXWVJBGHY-ZBFHGGJFSA-N 0 3 359.430 0.827 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000561412483 491605859 /nfs/dbraw/zinc/60/58/59/491605859.db2.gz JBNBQNDGNWCTLQ-HOTGVXAUSA-N 0 3 366.506 0.369 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@@H](OCCOC)C2)CC1 ZINC000561453942 491609874 /nfs/dbraw/zinc/60/98/74/491609874.db2.gz ZNKNOEGRIDINJJ-QGZVFWFLSA-N 0 3 367.490 0.797 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@H](CNC(N)=O)C2)CC1 ZINC000577522579 491629480 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CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000646949843 493130821 /nfs/dbraw/zinc/13/08/21/493130821.db2.gz FEMJRKAXAOLTEH-CQSZACIVSA-N 0 3 365.405 0.595 20 30 FCEDHN C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](CC)CN2CCCC2)C1=O ZINC000672694380 493233962 /nfs/dbraw/zinc/23/39/62/493233962.db2.gz VNNRYTCEAHCLFQ-CABCVRRESA-N 0 3 350.463 0.222 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N(C)[C@@H](CO)Cc2ccccc2)CC1 ZINC000668835868 493418512 /nfs/dbraw/zinc/41/85/12/493418512.db2.gz LLHFDTLOUZIPRK-GOSISDBHSA-N 0 3 359.470 0.815 20 30 FCEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCNC(=O)C[C@H]1C)C(C)C ZINC000671081980 493630989 /nfs/dbraw/zinc/63/09/89/493630989.db2.gz CNQZZPURPWASDT-HZPDHXFCSA-N 0 3 364.490 0.538 20 30 FCEDHN Cc1c(C#N)cccc1NC(=O)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000178415680 533722137 /nfs/dbraw/zinc/72/21/37/533722137.db2.gz XCMYFJIGPASUJV-UHFFFAOYSA-N 0 3 357.458 0.947 20 30 FCEDHN C[C@@H]1CC[C@H](C)N1[C@H]1CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 ZINC000409560667 534228699 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ZINC001129789292 1201388902 /nfs/dbraw/zinc/38/89/02/1201388902.db2.gz WCRHKRRHCKGDFM-WBXGCANISA-N 0 3 356.430 0.864 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)[C@H](OCC)C2CC2)C[C@@H]1n1ccnn1 ZINC001129844538 1201404362 /nfs/dbraw/zinc/40/43/62/1201404362.db2.gz GNPDIPNQXQUFOU-IXDOHACOSA-N 0 3 363.462 0.637 20 30 FCEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2cnc3ccc(OC)nn32)[C@@H](O)C1 ZINC001219897150 1224674227 /nfs/dbraw/zinc/67/42/27/1224674227.db2.gz ZOQGRYDNHIWVSU-GUTXKFCHSA-N 0 3 359.430 0.868 20 30 FCEDHN C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC001129859962 1201407163 /nfs/dbraw/zinc/40/71/63/1201407163.db2.gz PXARERWUEXCDBZ-DJIMGWMZSA-N 0 3 361.442 0.540 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000804751236 1201425058 /nfs/dbraw/zinc/42/50/58/1201425058.db2.gz VZFJNYSFNREXMJ-UHFFFAOYSA-N 0 3 366.462 0.489 20 30 FCEDHN CCCCCCCCOCC(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001129894500 1201428651 /nfs/dbraw/zinc/42/86/51/1201428651.db2.gz HZDQMKZFJTXKOS-SJORKVTESA-N 0 3 367.494 0.989 20 30 FCEDHN C=C1CCC(C(=O)N2C[C@@H](NCCOCCO)[C@@H](n3ccnn3)C2)CC1 ZINC001129994337 1201464346 /nfs/dbraw/zinc/46/43/46/1201464346.db2.gz IICSCAJJWOXQFF-SJORKVTESA-N 0 3 363.462 0.375 20 30 FCEDHN C#Cc1cncc(C(=O)N2C[C@@H](NCCOCC)[C@@H](n3ccnn3)C2)c1 ZINC001129997416 1201465748 /nfs/dbraw/zinc/46/57/48/1201465748.db2.gz LQRSUERMTLFTRF-SJORKVTESA-N 0 3 354.414 0.346 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NC[C@@H]2COC3(CCCCC3)O2)CC1 ZINC000804890991 1201469071 /nfs/dbraw/zinc/46/90/71/1201469071.db2.gz DGBLGBOSIZSSDR-MRXNPFEDSA-N 0 3 365.474 0.945 20 30 FCEDHN C#C[C@@H](NC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1)[C@H]1CCCO1 ZINC000805156847 1201500096 /nfs/dbraw/zinc/50/00/96/1201500096.db2.gz DGPHKESZSIJFTN-HZPDHXFCSA-N 0 3 365.474 0.289 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CN(C(C)=O)c2ccccc2)C[C@@H]1n1ccnn1 ZINC001130133987 1201513445 /nfs/dbraw/zinc/51/34/45/1201513445.db2.gz MCTXCFAZDXQZDK-MSOLQXFVSA-N 0 3 368.441 0.859 20 30 FCEDHN C=C[C@@H](CC(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1)c1ccccc1 ZINC001130133974 1201513491 /nfs/dbraw/zinc/51/34/91/1201513491.db2.gz LUNCJZRMBIPGFA-JQHSSLGASA-N 0 3 355.442 0.972 20 30 FCEDHN C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](NCC=C)[C@@H](n2ccnn2)C1 ZINC001130137028 1201514468 /nfs/dbraw/zinc/51/44/68/1201514468.db2.gz FSFKDOIIWASMJU-KGLIPLIRSA-N 0 3 361.450 0.069 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)CN(C)Cc2ccccc2)C[C@@H]1n1ccnn1 ZINC001130153247 1201518215 /nfs/dbraw/zinc/51/82/15/1201518215.db2.gz FYSOBEKYMALDBT-MOPGFXCFSA-N 0 3 366.469 0.775 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)COCC2CC2)[n-]1 ZINC001130187984 1201529236 /nfs/dbraw/zinc/52/92/36/1201529236.db2.gz SPQSBDSFDHWJNO-GJZGRUSLSA-N 0 3 361.446 0.333 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)OCCCC)[n-]1 ZINC001130192999 1201530050 /nfs/dbraw/zinc/53/00/50/1201530050.db2.gz DNLUFSKTRXDEKK-KKUMJFAQSA-N 0 3 363.462 0.721 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnccc2C)[n-]1 ZINC001130195796 1201531106 /nfs/dbraw/zinc/53/11/06/1201531106.db2.gz CLOZVXLMBVBEGE-ZFWWWQNUSA-N 0 3 354.414 0.533 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)COC(C)(C)C)[n-]1 ZINC001130205218 1201540524 /nfs/dbraw/zinc/54/05/24/1201540524.db2.gz VFOIGMMEIDVMFC-KBPBESRZSA-N 0 3 363.462 0.721 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnnc(C)c2)[n-]1 ZINC001130204775 1201540979 /nfs/dbraw/zinc/54/09/79/1201540979.db2.gz KEXCNRZQKMQHAS-GJZGRUSLSA-N 0 3 369.429 0.319 20 30 FCEDHN C=C(C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+][C@H](C)C(N)=O)[n-]1 ZINC001130215696 1201545789 /nfs/dbraw/zinc/54/57/89/1201545789.db2.gz BZZJTQQERPALKU-AGIUHOORSA-N 0 3 364.450 0.113 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)ncn2)[n-]1 ZINC001130200729 1201548591 /nfs/dbraw/zinc/54/85/91/1201548591.db2.gz UWIPTZGLYNCLMV-ZFWWWQNUSA-N 0 3 369.429 0.319 20 30 FCEDHN C[C@H](C#N)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]Cc2ccccn2)[n-]1 ZINC001130202950 1201550150 /nfs/dbraw/zinc/55/01/50/1201550150.db2.gz PCJZKZIGZRYWTG-SNPRPXQTSA-N 0 3 369.429 0.638 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2[nH]c(C)cc2C)[n-]1 ZINC001130222823 1201552434 /nfs/dbraw/zinc/55/24/34/1201552434.db2.gz GORFPUSRWGEMKU-KBPBESRZSA-N 0 3 356.430 0.775 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2occ3c2CCC3)[n-]1 ZINC001130225086 1201554005 /nfs/dbraw/zinc/55/40/05/1201554005.db2.gz RQNPCTOAHLKMGC-GJZGRUSLSA-N 0 3 369.425 0.912 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H](C)n2ccnc2)[n-]1 ZINC001130242203 1201562610 /nfs/dbraw/zinc/56/26/10/1201562610.db2.gz LNZRFIISWXVICE-ILXRZTDVSA-N 0 3 371.445 0.364 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C)NC(C)=O)CC1 ZINC001130269183 1201573929 /nfs/dbraw/zinc/57/39/29/1201573929.db2.gz CVYNUQINNXJVNW-QBIMZIAESA-N 0 3 362.474 0.010 20 30 FCEDHN CCCCCCCN1C[C@@H](NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](O)C1 ZINC001220040943 1224734864 /nfs/dbraw/zinc/73/48/64/1224734864.db2.gz PDNGFXJLTBZLQK-NCOADZHNSA-N 0 3 369.506 0.931 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1c1cn(C)cn1 ZINC001130509703 1202706886 /nfs/dbraw/zinc/70/68/86/1202706886.db2.gz MYMAQAKCTFZPQS-HEHGZKQESA-N 0 3 371.445 0.032 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H](C)NC(=O)c2ccoc2)C[C@H]1c1cn(C)cn1 ZINC001130598994 1202728377 /nfs/dbraw/zinc/72/83/77/1202728377.db2.gz CDSJCVRPMOTYLC-UKPHBRMFSA-N 0 3 371.441 0.902 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)COCc2ccnn2C)C[C@H]1c1cn(C)cn1 ZINC001130616797 1202736988 /nfs/dbraw/zinc/73/69/88/1202736988.db2.gz BVJBTROOAFEUCU-DOTOQJQBSA-N 0 3 358.446 0.440 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CCNC(=O)C2CCC2)C[C@H]1c1cn(C)cn1 ZINC001130689697 1202754131 /nfs/dbraw/zinc/75/41/31/1202754131.db2.gz GUGKQDIRIQUQOD-DOTOQJQBSA-N 0 3 359.474 0.797 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H](C)NC(=O)c2ccco2)C[C@H]1c1cn(C)cn1 ZINC001130731747 1202772326 /nfs/dbraw/zinc/77/23/26/1202772326.db2.gz NXBYBYBUVLWSSN-OFQRWUPVSA-N 0 3 371.441 0.902 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCOCC(C)C)n[n-]2)O1 ZINC001130767596 1202785246 /nfs/dbraw/zinc/78/52/46/1202785246.db2.gz NWWCCANCDOPLKY-LSDHHAIUSA-N 0 3 363.462 0.927 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)CCOCC(C)C)n2)O1 ZINC001130767596 1202785248 /nfs/dbraw/zinc/78/52/48/1202785248.db2.gz NWWCCANCDOPLKY-LSDHHAIUSA-N 0 3 363.462 0.927 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[C@H]3CCOC3)n[n-]2)O1 ZINC001130772212 1202787418 /nfs/dbraw/zinc/78/74/18/1202787418.db2.gz DFCAENFXFIXTQL-SOUVJXGZSA-N 0 3 361.446 0.681 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)CC[C@H]3CCOC3)n2)O1 ZINC001130772212 1202787423 /nfs/dbraw/zinc/78/74/23/1202787423.db2.gz DFCAENFXFIXTQL-SOUVJXGZSA-N 0 3 361.446 0.681 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccn(C)c3)n[n-]2)O1 ZINC001130772749 1202788312 /nfs/dbraw/zinc/78/83/12/1202788312.db2.gz ZTBRDUREZYRQJM-LSDHHAIUSA-N 0 3 356.430 0.906 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3ccn(C)c3)n2)O1 ZINC001130772749 1202788314 /nfs/dbraw/zinc/78/83/14/1202788314.db2.gz ZTBRDUREZYRQJM-LSDHHAIUSA-N 0 3 356.430 0.906 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H]3CCCCO3)n[n-]2)O1 ZINC001130776761 1202790451 /nfs/dbraw/zinc/79/04/51/1202790451.db2.gz KNBCYRDSSBFCCO-SOUVJXGZSA-N 0 3 361.446 0.823 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)C[C@@H]3CCCCO3)n2)O1 ZINC001130776761 1202790455 /nfs/dbraw/zinc/79/04/55/1202790455.db2.gz KNBCYRDSSBFCCO-SOUVJXGZSA-N 0 3 361.446 0.823 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cc3cc(C)nn3C)n[n-]2)O1 ZINC001130792408 1202800139 /nfs/dbraw/zinc/80/01/39/1202800139.db2.gz CMNOCWCFKVXNIJ-LSDHHAIUSA-N 0 3 371.445 0.148 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)Cc3cc(C)nn3C)n2)O1 ZINC001130792408 1202800141 /nfs/dbraw/zinc/80/01/41/1202800141.db2.gz CMNOCWCFKVXNIJ-LSDHHAIUSA-N 0 3 371.445 0.148 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3(COC)CC3)n[n-]2)O1 ZINC001130792802 1202800323 /nfs/dbraw/zinc/80/03/23/1202800323.db2.gz ZDGBZAGXJDWGLU-UONOGXRCSA-N 0 3 361.446 0.681 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)C3(COC)CC3)n2)O1 ZINC001130792802 1202800326 /nfs/dbraw/zinc/80/03/26/1202800326.db2.gz ZDGBZAGXJDWGLU-UONOGXRCSA-N 0 3 361.446 0.681 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC3=CCOCC3)n[n-]2)O1 ZINC001130804372 1202800836 /nfs/dbraw/zinc/80/08/36/1202800836.db2.gz FTEOUEVPWPTMOH-LSDHHAIUSA-N 0 3 359.430 0.601 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)CC3=CCOCC3)n2)O1 ZINC001130804372 1202800838 /nfs/dbraw/zinc/80/08/38/1202800838.db2.gz FTEOUEVPWPTMOH-LSDHHAIUSA-N 0 3 359.430 0.601 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCc3cn[nH]c3)n[n-]2)O1 ZINC001130809357 1202802431 /nfs/dbraw/zinc/80/24/31/1202802431.db2.gz UIUIIZIPXYJPNS-UONOGXRCSA-N 0 3 357.418 0.220 20 30 FCEDHN 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FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1CCOCC1 ZINC001224432705 1225779258 /nfs/dbraw/zinc/77/92/58/1225779258.db2.gz LYMNGUCCFQQYTO-HUUCEWRRSA-N 0 3 366.462 0.442 20 30 FCEDHN C#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)CC2)C1 ZINC001046070272 1217996942 /nfs/dbraw/zinc/99/69/42/1217996942.db2.gz QVAVAKRLMUEYHK-CEXWTWQISA-N 0 3 371.485 0.140 20 30 FCEDHN CNC(=O)CN1CCC[C@@]2(CC(=O)N(Cc3cccc(C#N)c3)C2=O)C1 ZINC001276982935 1225786531 /nfs/dbraw/zinc/78/65/31/1225786531.db2.gz YSOSTUPJPSBLIL-LJQANCHMSA-N 0 3 354.410 0.645 20 30 FCEDHN C#Cc1cccc(NC(=O)CN[C@@H]2CCCC[C@H]2NC(=O)CNC(N)=O)c1 ZINC001224731897 1225791276 /nfs/dbraw/zinc/79/12/76/1225791276.db2.gz AOQLKKPPHVVXTK-HZPDHXFCSA-N 0 3 371.441 0.292 20 30 FCEDHN C=CCOCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NCC(C)C ZINC001225355457 1225808212 /nfs/dbraw/zinc/80/82/12/1225808212.db2.gz BJABMBVJCDZHJL-HUUCEWRRSA-N 0 3 368.478 0.688 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CN(C)CCC)C1 ZINC001049149798 1218388601 /nfs/dbraw/zinc/38/86/01/1218388601.db2.gz LVUWKCLDPMWOAR-QZWWFDLISA-N 0 3 367.490 0.340 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@@H]2CCN(C)C2=O)CC1 ZINC001096605599 1218575703 /nfs/dbraw/zinc/57/57/03/1218575703.db2.gz WHLDECPTJFCTPZ-VSZNYVQBSA-N 0 3 358.486 0.284 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@@H]2CCCNC2=O)CC1 ZINC001096607715 1218577013 /nfs/dbraw/zinc/57/70/13/1218577013.db2.gz IVMKYZINYJGERI-VSZNYVQBSA-N 0 3 358.486 0.332 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NCC=C ZINC001226186668 1225835502 /nfs/dbraw/zinc/83/55/02/1225835502.db2.gz DGNKJSZSEXAQBL-RRFJBIMHSA-N 0 3 364.446 0.054 20 30 FCEDHN N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@@H](O)Cn2cccn2)c[nH]1 ZINC001096974671 1218645446 /nfs/dbraw/zinc/64/54/46/1218645446.db2.gz BFFPYOZPSGFHMV-TWMKSMIVSA-N 0 3 354.414 0.479 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2c[nH]nc21 ZINC001226267922 1225838196 /nfs/dbraw/zinc/83/81/96/1225838196.db2.gz URKRSESQTXDZGS-RRFJBIMHSA-N 0 3 358.446 0.486 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)C1CCCC1 ZINC001226383218 1225842031 /nfs/dbraw/zinc/84/20/31/1225842031.db2.gz LIZCNQIKDSJFAG-HZPDHXFCSA-N 0 3 362.474 0.059 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1c2c(nn1C)CCCC2 ZINC001226481426 1225844891 /nfs/dbraw/zinc/84/48/91/1225844891.db2.gz HVZFDBGOPJNEMR-IAGOWNOFSA-N 0 3 371.485 0.679 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCCNC(=O)C1CC1 ZINC001226606039 1225848477 /nfs/dbraw/zinc/84/84/77/1225848477.db2.gz PXBJYZFHFJCZHQ-HZPDHXFCSA-N 0 3 364.490 0.612 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC001226838111 1225855462 /nfs/dbraw/zinc/85/54/62/1225855462.db2.gz ZFDDYSNFCXQXQD-ZIAGYGMSSA-N 0 3 369.425 0.649 20 30 FCEDHN Cn1cnc2cncc(C(=O)N[C@@H]3CCCC[C@H]3NCC(=O)NCC#N)c21 ZINC001226879284 1225856412 /nfs/dbraw/zinc/85/64/12/1225856412.db2.gz ZZVFOQFVTYFXGO-ZIAGYGMSSA-N 0 3 369.429 0.239 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)n1cnc(C)c1 ZINC001227019697 1225861157 /nfs/dbraw/zinc/86/11/57/1225861157.db2.gz YJAWQYLMDFEHQQ-HZPDHXFCSA-N 0 3 359.474 0.693 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001227039614 1225861616 /nfs/dbraw/zinc/86/16/16/1225861616.db2.gz XYJCGYFHJUGWMV-ARFHVFGLSA-N 0 3 371.485 0.845 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2cncn2C1 ZINC001227165706 1225865235 /nfs/dbraw/zinc/86/52/35/1225865235.db2.gz PPPVEYKEGQBJTR-FVQBIDKESA-N 0 3 358.446 0.102 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2ccnc2C1 ZINC001227165293 1225865310 /nfs/dbraw/zinc/86/53/10/1225865310.db2.gz LOYMXHHHAZIPLG-BZUAXINKSA-N 0 3 357.458 0.212 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2cncn2C1 ZINC001227165301 1225865541 /nfs/dbraw/zinc/86/55/41/1225865541.db2.gz LPDHUWJNBWUIQF-USXIJHARSA-N 0 3 359.474 0.765 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCOC[C@H]1CCCO1 ZINC001227249465 1225868315 /nfs/dbraw/zinc/86/83/15/1225868315.db2.gz PICHMBVUGKOXNB-BRWVUGGUSA-N 0 3 365.474 0.339 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn2cccnc2n1 ZINC001227275385 1225869360 /nfs/dbraw/zinc/86/93/60/1225869360.db2.gz GFBPDOMWUYYSQP-ZIAGYGMSSA-N 0 3 354.414 0.109 20 30 FCEDHN CN(C)C(=O)CN1CC[C@H]2CN(C(=O)c3cc(C#N)ccn3)C[C@H]2CC1 ZINC001277195791 1225869580 /nfs/dbraw/zinc/86/95/80/1225869580.db2.gz YNNMYOBAHYFCIC-IYBDPMFKSA-N 0 3 355.442 0.825 20 30 FCEDHN Cc1ccn2cc(C(=O)N[C@@H]3CCCC[C@H]3NCC(=O)NCC#N)nc2c1 ZINC001227320516 1225870682 /nfs/dbraw/zinc/87/06/82/1225870682.db2.gz WNBGSWBEVWPDST-HUUCEWRRSA-N 0 3 368.441 0.913 20 30 FCEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]2n2ccnn2)cn1 ZINC001070080779 1219150937 /nfs/dbraw/zinc/15/09/37/1219150937.db2.gz YLFLVUMYBAXDNX-QGTPRVQTSA-N 0 3 366.425 0.346 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc2n(n1)CCCO2 ZINC001227428075 1225874446 /nfs/dbraw/zinc/87/44/46/1225874446.db2.gz RQRYJRGEIXRLNB-ZIAGYGMSSA-N 0 3 359.430 0.046 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc2n[nH]cc2c1 ZINC001227450870 1225875597 /nfs/dbraw/zinc/87/55/97/1225875597.db2.gz PLIDSSIMKDLPOG-QZTJIDSGSA-N 0 3 367.453 0.872 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnc2cnccc2c1 ZINC001227535426 1225878162 /nfs/dbraw/zinc/87/81/62/1225878162.db2.gz UZMAIYHHUZDOIT-HZPDHXFCSA-N 0 3 366.425 0.900 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cccc3c2oc(=O)n3C)C[C@@H]1n1ccnn1 ZINC001070207853 1219293886 /nfs/dbraw/zinc/29/38/86/1219293886.db2.gz RSFVHEHYSBEQPD-HIFRSBDPSA-N 0 3 368.397 0.564 20 30 FCEDHN Cc1nccc(CCC(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)n1 ZINC001227694441 1225882030 /nfs/dbraw/zinc/88/20/30/1225882030.db2.gz AIIHQZGBSZHTDT-HZPDHXFCSA-N 0 3 358.446 0.374 20 30 FCEDHN C=CCOc1ccccc1C(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070220523 1219302483 /nfs/dbraw/zinc/30/24/83/1219302483.db2.gz JVPRQTYDGDTDOQ-CVEARBPZSA-N 0 3 357.414 0.491 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2CC(=O)Nc3ccccc32)C[C@@H]1n1ccnn1 ZINC001070245379 1219315368 /nfs/dbraw/zinc/31/53/68/1219315368.db2.gz XCLSODGBEYCBMB-OIISXLGYSA-N 0 3 366.425 0.932 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cc2cn3cc(F)ccc3n2)C[C@@H]1n1ccnn1 ZINC001070246094 1219316288 /nfs/dbraw/zinc/31/62/88/1219316288.db2.gz DZKMZKLEEKJSCC-CVEARBPZSA-N 0 3 369.404 0.835 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CCc2c(C)nn(C)c2C)C[C@@H]1n1ccnn1 ZINC001070246439 1219316692 /nfs/dbraw/zinc/31/66/92/1219316692.db2.gz XSYREBUUIHWTSZ-SJORKVTESA-N 0 3 357.462 0.789 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cnn3c2nc(C)cc3C)C[C@@H]1n1ccnn1 ZINC001070247162 1219317703 /nfs/dbraw/zinc/31/77/03/1219317703.db2.gz FLTYVSAEWDWLHT-CVEARBPZSA-N 0 3 366.429 0.779 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cccc(-c3nc[nH]n3)c2)C[C@@H]1n1ccnn1 ZINC001070247863 1219317821 /nfs/dbraw/zinc/31/78/21/1219317821.db2.gz HYLQKXDITCWJSO-CVEARBPZSA-N 0 3 364.413 0.905 20 30 FCEDHN C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NC ZINC001227750790 1225883720 /nfs/dbraw/zinc/88/37/20/1225883720.db2.gz QWNVQQAEXJZONK-HBUWYVDXSA-N 0 3 368.478 0.688 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cc3c(cn2)nc[nH]c3=O)C[C@@H]1n1ccnn1 ZINC001070319074 1219372602 /nfs/dbraw/zinc/37/26/02/1219372602.db2.gz ZQFCBPYCELDEOL-CABCVRRESA-N 0 3 366.385 0.163 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2c(C)nn3cccnc23)C[C@@H]1n1ccnn1 ZINC001070329498 1219380315 /nfs/dbraw/zinc/38/03/15/1219380315.db2.gz SGQDIFFJNHJJAA-KGLIPLIRSA-N 0 3 352.402 0.471 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cccc(C(=O)NC)c2)C[C@@H]1n1ccnn1 ZINC001070331044 1219381372 /nfs/dbraw/zinc/38/13/72/1219381372.db2.gz ADTZBUYYSCISPY-CVEARBPZSA-N 0 3 354.414 0.479 20 30 FCEDHN C=CCOc1ccc(CC(=O)N2C[C@@H](NCCO)[C@@H](n3ccnn3)C2)cc1 ZINC001070334677 1219383707 /nfs/dbraw/zinc/38/37/07/1219383707.db2.gz KTOLHHSQIBJLTI-MSOLQXFVSA-N 0 3 371.441 0.419 20 30 FCEDHN C#CC[N@H+]1C[C@@H](c2nnc(CNC(=O)[C@]34C[C@H]3COC4)[n-]2)[C@H](C2CC2)C1 ZINC001070352144 1219388515 /nfs/dbraw/zinc/38/85/15/1219388515.db2.gz FUZVYFGJDWWRSE-ZTENYAIWSA-N 0 3 355.442 0.516 20 30 FCEDHN C#CC[N@@H+]1C[C@@H](c2nnc(CNC(=O)[C@]34C[C@H]3COC4)[n-]2)[C@H](C2CC2)C1 ZINC001070352144 1219388524 /nfs/dbraw/zinc/38/85/24/1219388524.db2.gz FUZVYFGJDWWRSE-ZTENYAIWSA-N 0 3 355.442 0.516 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CCNC(=O)C2)CC1 ZINC001070368417 1219399710 /nfs/dbraw/zinc/39/97/10/1219399710.db2.gz BMYPEUQPRRYSTR-DAYGRLMNSA-N 0 3 362.474 0.174 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnc2c(c1)ncn2C ZINC001227893018 1225889830 /nfs/dbraw/zinc/88/98/30/1225889830.db2.gz DFWJVHHXPWNXBS-HUUCEWRRSA-N 0 3 368.441 0.348 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2=CCOCC2)CC1 ZINC001070369883 1219400667 /nfs/dbraw/zinc/40/06/67/1219400667.db2.gz VUZSMXIDNAYRJM-MJGOQNOKSA-N 0 3 359.470 0.832 20 30 FCEDHN C#CCCN1CC[C@H](Oc2cnccc2CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001070387422 1219408426 /nfs/dbraw/zinc/40/84/26/1219408426.db2.gz OYTRGLNZRVVEEL-XHSDSOJGSA-N 0 3 356.426 0.296 20 30 FCEDHN 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FCEDHN C=CCn1cc(CN2CCC[C@@]3(C2)COCCN(CC(=O)NC)C3)cn1 ZINC001139769674 1222558270 /nfs/dbraw/zinc/55/82/70/1222558270.db2.gz NBEKMHPZZXMQIH-IBGZPJMESA-N 0 3 361.490 0.730 20 30 FCEDHN C#CCN(C)CCCNC(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000837420087 1222648008 /nfs/dbraw/zinc/64/80/08/1222648008.db2.gz OMKUSMATWSRIBP-GOSISDBHSA-N 0 3 371.485 0.495 20 30 FCEDHN C#CCOC[C@H](O)CN1CCC2(C[C@@H]2C(=O)NCC(=O)C(C)(C)C)CC1 ZINC001277713154 1226168526 /nfs/dbraw/zinc/16/85/26/1226168526.db2.gz SHXGAAZCOUKJSY-HZPDHXFCSA-N 0 3 364.486 0.831 20 30 FCEDHN C#CCOC[C@H](O)CN1CCC2(C[C@H]2C(=O)NCC(=O)C(C)(C)C)CC1 ZINC001277713150 1226168736 /nfs/dbraw/zinc/16/87/36/1226168736.db2.gz SHXGAAZCOUKJSY-CVEARBPZSA-N 0 3 364.486 0.831 20 30 FCEDHN C=CCOC(=O)[C@@H](N)CCCCNc1ccnc(N2CCN(C)CC2)n1 ZINC001159924566 1223140089 /nfs/dbraw/zinc/14/00/89/1223140089.db2.gz TUBUUDSVQGADFF-HNNXBMFYSA-N 0 3 362.478 0.867 20 30 FCEDHN C#CCNC(=O)CNCCN(CCc1ccccc1)C(=O)[C@H]1OCC[C@H]1C ZINC001162935392 1223222108 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NHPTYFHSPCSQPV-LBTNJELSSA-N 0 3 367.469 0.275 20 30 FCEDHN C=CCN(CC=C)C(=O)CN1C[C@@H](C)[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001208597133 1223562514 /nfs/dbraw/zinc/56/25/14/1223562514.db2.gz JJVLUYQPIYVKGG-RCCFBDPRSA-N 0 3 362.518 0.965 20 30 FCEDHN C=CCn1cc(C(=O)N[C@@H]2CN(CCCO[C@@H]3CCOC3)C[C@H]2C)nn1 ZINC001209254186 1223605034 /nfs/dbraw/zinc/60/50/34/1223605034.db2.gz LFZYPAKDEOHXDM-BZUAXINKSA-N 0 3 363.462 0.710 20 30 FCEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(C[C@@H](O)COCCOC)C[C@H]2C)nc1 ZINC001210416523 1223690183 /nfs/dbraw/zinc/69/01/83/1223690183.db2.gz PTQKDGSYBSQFLA-QGPMSJSTSA-N 0 3 361.442 0.137 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H](C)[C@H](NC(=O)CN(C)CCC)C1 ZINC001210539216 1223696694 /nfs/dbraw/zinc/69/66/94/1223696694.db2.gz XOGHVFJJZLMDMM-QLFBSQMISA-N 0 3 367.494 0.165 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN([C@@H](C)C(=O)NCC=C)C[C@H]2C)CC1 ZINC001211343844 1223736116 /nfs/dbraw/zinc/73/61/16/1223736116.db2.gz OKSKKGWREHTQHF-SOLBZPMBSA-N 0 3 360.502 0.459 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)[C@H](OC)C1 ZINC001213444032 1223799443 /nfs/dbraw/zinc/79/94/43/1223799443.db2.gz GXIGAWZVHTXNKN-GDBMZVCRSA-N 0 3 362.474 0.918 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)c2cncnc2C)C[C@H]1C ZINC001214204455 1223895342 /nfs/dbraw/zinc/89/53/42/1223895342.db2.gz GEIMDUISWVWCRD-CZUORRHYSA-N 0 3 358.446 0.597 20 30 FCEDHN C=CCOCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC001214330238 1223901523 /nfs/dbraw/zinc/90/15/23/1223901523.db2.gz VVZXKDADQYOZRK-RBSFLKMASA-N 0 3 368.478 0.496 20 30 FCEDHN C[C@@H](C#N)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NCc2ccco2)C1 ZINC001214338268 1223901997 /nfs/dbraw/zinc/90/19/97/1223901997.db2.gz NKXYOXXMFRGQIJ-OUCADQQQSA-N 0 3 361.402 0.202 20 30 FCEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1C ZINC001214369129 1223904273 /nfs/dbraw/zinc/90/42/73/1223904273.db2.gz RBCSSUGLSPERFF-ZIAGYGMSSA-N 0 3 358.446 0.310 20 30 FCEDHN C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NCC(=O)NC[C@@H]1CCOC1 ZINC001214406956 1223907953 /nfs/dbraw/zinc/90/79/53/1223907953.db2.gz MRIUGUXULCEUNV-DVOMOZLQSA-N 0 3 359.430 0.089 20 30 FCEDHN Cc1cc(NC(=O)CN[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)n(C)n1 ZINC001214407666 1223908016 /nfs/dbraw/zinc/90/80/16/1223908016.db2.gz WZSNIOVRQKJEGB-IAQYHMDHSA-N 0 3 369.429 0.617 20 30 FCEDHN C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NCC(=O)NCc1cccnc1 ZINC001214463775 1223911905 /nfs/dbraw/zinc/91/19/05/1223911905.db2.gz BBVIUJJCGFMRRB-CXAGYDPISA-N 0 3 366.425 0.648 20 30 FCEDHN CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C ZINC001214464050 1223912121 /nfs/dbraw/zinc/91/21/21/1223912121.db2.gz LKSIASJOUQMCGD-JTNHKYCSSA-N 0 3 360.418 0.171 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)COC(C)(C)C)C[C@H]1C ZINC001214477852 1223913082 /nfs/dbraw/zinc/91/30/82/1223913082.db2.gz HVBQIFQRDVXTRH-HZSPNIEDSA-N 0 3 368.478 0.638 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2ccc(F)cn2)C[C@H]1C ZINC001214482439 1223913445 /nfs/dbraw/zinc/91/34/45/1223913445.db2.gz VWEJPRIKXIIUDA-BXUZGUMPSA-N 0 3 363.393 0.283 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2coc(C)n2)C[C@H]1C ZINC001214497531 1223915639 /nfs/dbraw/zinc/91/56/39/1223915639.db2.gz OVSBREAEPFAKAD-NQBHXWOUSA-N 0 3 363.418 0.433 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)/C=C\c2ccc[nH]2)C[C@H]1C ZINC001214501379 1223915814 /nfs/dbraw/zinc/91/58/14/1223915814.db2.gz AAVFKCAOZUBOGT-ONHQGNBLSA-N 0 3 359.430 0.476 20 30 FCEDHN C#CCCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)Cc2cnn(C)c2)C1 ZINC001214527424 1223918841 /nfs/dbraw/zinc/91/88/41/1223918841.db2.gz UZIRGKDDQMUKGI-NVXWUHKLSA-N 0 3 359.474 0.619 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)N1C[C@@H](C)[C@H](NCc2cc(=O)n3nccc3[nH]2)C1 ZINC001214533369 1223919129 /nfs/dbraw/zinc/91/91/29/1223919129.db2.gz KFWRKOQOTOJECM-RVZJWNSFSA-N 0 3 359.430 0.286 20 30 FCEDHN CC(C)[C@@H](O)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#Cc2ccccc2)C1 ZINC001214548442 1223920587 /nfs/dbraw/zinc/92/05/87/1223920587.db2.gz OXJHTWYAPFJZSJ-YVWKXTFCSA-N 0 3 371.481 0.608 20 30 FCEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)Cc2nnc(C)o2)C[C@H]1C ZINC001214557449 1223921524 /nfs/dbraw/zinc/92/15/24/1223921524.db2.gz BNUCBSIJONIGEH-UKRRQHHQSA-N 0 3 363.462 0.782 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CC2(COC)CC2)C[C@H]1C ZINC001214595573 1223924568 /nfs/dbraw/zinc/92/45/68/1223924568.db2.gz QZFNRWDABFKYSN-ZIAGYGMSSA-N 0 3 366.462 0.251 20 30 FCEDHN C[C@@H]1CN(C(=O)c2c[nH]cc2-c2cnn(C)c2)C[C@H]1NCC(=O)NCC#N ZINC001214617221 1223926516 /nfs/dbraw/zinc/92/65/16/1223926516.db2.gz JVOACFBMODJRCU-MLGOLLRUSA-N 0 3 369.429 0.105 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ccnn2CC(F)F)C[C@H]1C ZINC001214632200 1223927427 /nfs/dbraw/zinc/92/74/27/1223927427.db2.gz FXRCECLHECZTAZ-JHJVBQTASA-N 0 3 369.416 0.889 20 30 FCEDHN CCc1nccn1[C@@H](C)CC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1 ZINC001214662120 1223929923 /nfs/dbraw/zinc/92/99/23/1223929923.db2.gz VANYDCQREPHZQC-QLFBSQMISA-N 0 3 360.462 0.473 20 30 FCEDHN C[C@@H]1CN(C(=O)c2ccc3cccnc3n2)C[C@H]1NCC(=O)NCC#N ZINC001214673417 1223931113 /nfs/dbraw/zinc/93/11/13/1223931113.db2.gz CNTVHIQWCBULGM-IUODEOHRSA-N 0 3 352.398 0.320 20 30 FCEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)[C@@H](C)NC(=O)CC)C[C@H]1C ZINC001214699824 1223934611 /nfs/dbraw/zinc/93/46/11/1223934611.db2.gz YQNOUTVQBXJNMA-BZUAXINKSA-N 0 3 364.490 0.538 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccn(C3CCCC3)n2)C[C@H]1C ZINC001214739000 1223937491 /nfs/dbraw/zinc/93/74/91/1223937491.db2.gz DNSYEUVHSMGRFO-RHSMWYFYSA-N 0 3 357.458 0.798 20 30 FCEDHN C=C(C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC001214746078 1223938117 /nfs/dbraw/zinc/93/81/17/1223938117.db2.gz VAHPJJIYKCQKTD-OWCLPIDISA-N 0 3 364.490 0.503 20 30 FCEDHN C=C(C)[C@H](CC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCCCOC)C1)OCC ZINC001214752278 1223938751 /nfs/dbraw/zinc/93/87/51/1223938751.db2.gz DQWZYLGEMPSFKO-ZACQAIPSSA-N 0 3 369.506 0.947 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cccc3c2OCCO3)C[C@H]1C ZINC001214777901 1223941635 /nfs/dbraw/zinc/94/16/35/1223941635.db2.gz QUGBJZDEOTXWMM-IIAWOOMASA-N 0 3 371.437 0.646 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cc(C3CC3)n(C)n2)C[C@H]1C ZINC001214794685 1223943135 /nfs/dbraw/zinc/94/31/35/1223943135.db2.gz LXHTZBGIVWVAHS-DVOMOZLQSA-N 0 3 357.458 0.486 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccc(NC(C)=O)cn2)C[C@H]1C ZINC001214807407 1223944324 /nfs/dbraw/zinc/94/43/24/1223944324.db2.gz VGLDJPHOGXIHJO-IIYDPXPESA-N 0 3 371.441 0.228 20 30 FCEDHN Cc1cc2ccc(C(=O)N3C[C@@H](C)[C@H](NCC(=O)NCC#N)C3)cn2c1 ZINC001214811915 1223944383 /nfs/dbraw/zinc/94/43/83/1223944383.db2.gz JPZSJUJNOUWCQZ-RHSMWYFYSA-N 0 3 353.426 0.938 20 30 FCEDHN C#CCC1(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCCC3)C2)CCOCC1 ZINC001214822027 1223945621 /nfs/dbraw/zinc/94/56/21/1223945621.db2.gz QPLUTDPQVJYDLM-IAGOWNOFSA-N 0 3 361.486 0.865 20 30 FCEDHN C[C@@H]1CN(C(=O)c2ccc(-n3cccn3)cc2)C[C@H]1NCC(=O)NCC#N ZINC001214857089 1223948403 /nfs/dbraw/zinc/94/84/03/1223948403.db2.gz YWLATZRONPNMSE-RHSMWYFYSA-N 0 3 366.425 0.562 20 30 FCEDHN C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2[n-]cnc2C(F)(F)F)C[C@H]1C ZINC001214861644 1223949174 /nfs/dbraw/zinc/94/91/74/1223949174.db2.gz ZIJBWEHMKOSJIL-GMTAPVOTSA-N 0 3 371.363 0.617 20 30 FCEDHN C[C@@H]1CN(C(=O)c2cnc3ccccc3n2)C[C@H]1NCC(=O)NCC#N ZINC001214859036 1223949217 /nfs/dbraw/zinc/94/92/17/1223949217.db2.gz KLXBHDZPOIPDRG-MLGOLLRUSA-N 0 3 352.398 0.320 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cccc3[nH]c(=O)[nH]c32)C[C@H]1C ZINC001214875423 1223950376 /nfs/dbraw/zinc/95/03/76/1223950376.db2.gz TUINCWMRFDBKNP-BXUZGUMPSA-N 0 3 357.414 0.621 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cncc(COC)c2)C[C@H]1C ZINC001214879266 1223950911 /nfs/dbraw/zinc/95/09/11/1223950911.db2.gz UMDQGUHSYOTIDH-CKEIUWERSA-N 0 3 358.442 0.416 20 30 FCEDHN C[C@@H]1CN(C(=O)c2nccc3cccnc32)C[C@H]1NCC(=O)NCC#N ZINC001214877546 1223951284 /nfs/dbraw/zinc/95/12/84/1223951284.db2.gz WOQGEVIRFFEYPE-TZMCWYRMSA-N 0 3 352.398 0.320 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2cnn3c2CCCC3)C[C@H]1C ZINC001214892970 1223952928 /nfs/dbraw/zinc/95/29/28/1223952928.db2.gz XLPYMYLAQYYUHS-BFYDXBDKSA-N 0 3 371.485 0.336 20 30 FCEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)c2[nH]c(=O)[nH]c2C)C[C@H]1C ZINC001214914181 1223955061 /nfs/dbraw/zinc/95/50/61/1223955061.db2.gz ZRXLHWRTQLHGPN-TZMCWYRMSA-N 0 3 361.446 0.674 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ccnn2CCOC)C[C@H]1C ZINC001214926146 1223956207 /nfs/dbraw/zinc/95/62/07/1223956207.db2.gz ZHWUYEFWEPVMRA-RBSFLKMASA-N 0 3 363.462 0.270 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cnc3n2CCCCC3)C[C@H]1C ZINC001214952985 1223958979 /nfs/dbraw/zinc/95/89/79/1223958979.db2.gz VOFXTGGNYDHSAJ-HUUCEWRRSA-N 0 3 359.474 0.962 20 30 FCEDHN Cc1ccnc(C(C)(C)C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)c1 ZINC001214952833 1223959099 /nfs/dbraw/zinc/95/90/99/1223959099.db2.gz OLYDUHAYFDOSPM-HUUCEWRRSA-N 0 3 357.458 0.744 20 30 FCEDHN C=CCOc1ccc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)cc1 ZINC001214982112 1223961431 /nfs/dbraw/zinc/96/14/31/1223961431.db2.gz NHHOHEWSKQRRLG-RHSMWYFYSA-N 0 3 356.426 0.941 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(-c3cn[nH]c3)cn2)C[C@H]1C ZINC001215003671 1223962716 /nfs/dbraw/zinc/96/27/16/1223962716.db2.gz JGVOGWXAVXESBW-CXAGYDPISA-N 0 3 366.425 0.271 20 30 FCEDHN C[C@@H]1CN(C(=O)c2cccc([C@H]3CCOC3)c2)C[C@H]1NCC(=O)NCC#N ZINC001215010399 1223964189 /nfs/dbraw/zinc/96/41/89/1223964189.db2.gz QEIJLVSTVQSTFJ-FHLIZLRMSA-N 0 3 370.453 0.880 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2n[nH]c3c2CCCC3)C[C@H]1C ZINC001215047676 1223967499 /nfs/dbraw/zinc/96/74/99/1223967499.db2.gz RCSVKVYBFMMXLL-DVOMOZLQSA-N 0 3 357.458 0.477 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C(=O)Nc2ccccc2)C[C@H]1C ZINC001215054651 1223968721 /nfs/dbraw/zinc/96/87/21/1223968721.db2.gz MIWFDWYXJYYXBV-IIAWOOMASA-N 0 3 356.426 0.200 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2n[nH]c3ccc(C)cc32)C[C@H]1C ZINC001215054841 1223969188 /nfs/dbraw/zinc/96/91/88/1223969188.db2.gz WXTBKVBGVJJENC-CZUORRHYSA-N 0 3 353.426 0.671 20 30 FCEDHN C[C@@H]1CN(C(=O)c2cccc3cccnc32)C[C@H]1NCC(=O)NCC#N ZINC001215075848 1223970882 /nfs/dbraw/zinc/97/08/82/1223970882.db2.gz YRBHRTJBPNKATP-CZUORRHYSA-N 0 3 351.410 0.925 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[nH]2)C[C@H]1C ZINC001215090248 1223972203 /nfs/dbraw/zinc/97/22/03/1223972203.db2.gz KNZRCQAHRNCZAR-CXAGYDPISA-N 0 3 366.421 0.328 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cc3n(n2)CCCO3)C[C@H]1C ZINC001215120587 1223975546 /nfs/dbraw/zinc/97/55/46/1223975546.db2.gz IMUWMSXYQITAQE-UMVBOHGHSA-N 0 3 361.446 0.406 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cccc3nccn32)C[C@H]1C ZINC001215134669 1223976846 /nfs/dbraw/zinc/97/68/46/1223976846.db2.gz YPZXQCASGXGFLG-RBSFLKMASA-N 0 3 353.426 0.522 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CCc2ccon2)C[C@H]1C ZINC001215143938 1223977898 /nfs/dbraw/zinc/97/78/98/1223977898.db2.gz BFXCSAOYFMXPPQ-TZMCWYRMSA-N 0 3 363.418 0.056 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cccc3c2O[C@@H](C)C3)C[C@H]1C ZINC001215171243 1223979711 /nfs/dbraw/zinc/97/97/11/1223979711.db2.gz QFBIFUZURSYUJU-JKIFEVAISA-N 0 3 355.438 0.810 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2C[C@H]2C2CC2)C[C@H]1C ZINC001215185867 1223980481 /nfs/dbraw/zinc/98/04/81/1223980481.db2.gz BOJKPNYENLEGQK-SYAUCNOPSA-N 0 3 362.474 0.871 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2occ3c2CCOC3)C[C@H]1C ZINC001215230662 1223984312 /nfs/dbraw/zinc/98/43/12/1223984312.db2.gz QFKJDEOIGCGNBT-XJKCOSOUSA-N 0 3 359.426 0.540 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cc2c(C)nn(C)c2C)C[C@H]1C ZINC001215261431 1223986156 /nfs/dbraw/zinc/98/61/56/1223986156.db2.gz FSEKZOGRWDBRFY-HACGYAERSA-N 0 3 359.474 0.154 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccccc2N(C)C(C)=O)C[C@H]1C ZINC001215267122 1223986912 /nfs/dbraw/zinc/98/69/12/1223986912.db2.gz YSKILUOLJWWQKK-RHSMWYFYSA-N 0 3 370.453 0.469 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCCOCC)C2)cc1 ZINC001215290148 1223989817 /nfs/dbraw/zinc/98/98/17/1223989817.db2.gz KBNUZOZNNWEHMN-CRAIPNDOSA-N 0 3 357.454 0.871 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCCCOC)C2)cc1 ZINC001215289824 1223989879 /nfs/dbraw/zinc/98/98/79/1223989879.db2.gz BNZFJSBAUXPNHS-CRAIPNDOSA-N 0 3 357.454 0.871 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)CCc2cccc(N(C)C)c2)C[C@H]1C ZINC001215381096 1223994753 /nfs/dbraw/zinc/99/47/53/1223994753.db2.gz NZSOHOTUWTUJAL-VQIMIIECSA-N 0 3 370.497 0.871 20 30 FCEDHN C[C@@H]1CN(C(=O)Cc2c[nH]c3cnccc23)C[C@H]1NCC(=O)NCC#N ZINC001215393133 1223995583 /nfs/dbraw/zinc/99/55/83/1223995583.db2.gz OXPAOZCKCSMIPT-MLGOLLRUSA-N 0 3 354.414 0.182 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)c2cnc(C)n2C)C[C@H]1C ZINC001215397055 1223996277 /nfs/dbraw/zinc/99/62/77/1223996277.db2.gz QKTAYYPTNMUTSR-UKRRQHHQSA-N 0 3 360.462 0.541 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ccoc2CC(N)=O)C[C@H]1C ZINC001215402707 1223996913 /nfs/dbraw/zinc/99/69/13/1223996913.db2.gz BZSNCDQCCGNHHB-YRGRVCCFSA-N 0 3 362.430 0.048 20 30 FCEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1C ZINC001215410667 1223997881 /nfs/dbraw/zinc/99/78/81/1223997881.db2.gz ZADGXWZFDSFAJL-UKRRQHHQSA-N 0 3 361.446 0.245 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)Cc2cn(C)c3ccccc23)C[C@H]1C ZINC001215423354 1223998815 /nfs/dbraw/zinc/99/88/15/1223998815.db2.gz IMSKXPPCDCEGLP-CRAIPNDOSA-N 0 3 366.465 0.907 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2ccn(C)c2C)C[C@H]1C ZINC001215485584 1224001611 /nfs/dbraw/zinc/00/16/11/1224001611.db2.gz OXFZEHCHVHXBHS-IUODEOHRSA-N 0 3 361.446 0.395 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1C ZINC001215603164 1224009136 /nfs/dbraw/zinc/00/91/36/1224009136.db2.gz ZAUODEBMLLOCNA-HHARLNAUSA-N 0 3 362.474 0.753 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2c[nH]c(-c3ccccc3)n2)C[C@H]1C ZINC001215693585 1224012632 /nfs/dbraw/zinc/01/26/32/1224012632.db2.gz WTEPBRONGXRGMY-RHSMWYFYSA-N 0 3 365.437 0.876 20 30 FCEDHN C[C@@H]1CN(C(=O)c2noc3c2CCCCC3)C[C@H]1NCC(=O)NCC#N ZINC001215714139 1224013764 /nfs/dbraw/zinc/01/37/64/1224013764.db2.gz FFCZRCGBYWAFDJ-TZMCWYRMSA-N 0 3 359.430 0.633 20 30 FCEDHN C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NCCCC)C2)nn1 ZINC001215832627 1224020053 /nfs/dbraw/zinc/02/00/53/1224020053.db2.gz MAAQKOOGXJFRJK-QLFBSQMISA-N 0 3 362.478 0.819 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)CCc2cn[nH]c2)C[C@H]1C ZINC001215848138 1224020677 /nfs/dbraw/zinc/02/06/77/1224020677.db2.gz UNOQBVUEHUFBRS-GDBMZVCRSA-N 0 3 360.462 0.541 20 30 FCEDHN C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(=O)NCCC)C2)nn1 ZINC001215861847 1224021108 /nfs/dbraw/zinc/02/11/08/1224021108.db2.gz QAVPPEFYUKWEDU-RBSFLKMASA-N 0 3 362.478 0.819 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccc3nncn3c2)C[C@H]1C ZINC001215899974 1224023129 /nfs/dbraw/zinc/02/31/29/1224023129.db2.gz WZKGFCVANQWEGR-VNHYZAJKSA-N 0 3 356.430 0.470 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2c(C)noc2Cl)C[C@H]1C ZINC001215904010 1224023387 /nfs/dbraw/zinc/02/33/87/1224023387.db2.gz NEOSNGPNBFSVEW-MPKXVKKWSA-N 0 3 366.849 0.753 20 30 FCEDHN C[C@@H]1CN(C(=O)c2ccc3c(c2)C[C@H](C)O3)C[C@H]1NCC(=O)NCC#N ZINC001215929236 1224025218 /nfs/dbraw/zinc/02/52/18/1224025218.db2.gz BZUGVRFSYGHYPG-DVOMOZLQSA-N 0 3 356.426 0.700 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnn3ccccc23)C[C@H]1C ZINC001215969513 1224027905 /nfs/dbraw/zinc/02/79/05/1224027905.db2.gz UGDBAUOGVLJXBX-IJEWVQPXSA-N 0 3 353.426 0.522 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2NC(=O)c3ccccc32)C[C@H]1C ZINC001216012239 1224030059 /nfs/dbraw/zinc/03/00/59/1224030059.db2.gz JSNGINBTNPUFGQ-XOKHGSTOSA-N 0 3 368.437 0.047 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cccc3nc[nH]c32)C[C@H]1C ZINC001216030071 1224030804 /nfs/dbraw/zinc/03/08/04/1224030804.db2.gz AAWWLYSRZOFSDJ-DVOMOZLQSA-N 0 3 353.426 0.751 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cccc3nccnc32)C[C@H]1C ZINC001216050530 1224031624 /nfs/dbraw/zinc/03/16/24/1224031624.db2.gz UCVWGYMYBKMAJC-CZUORRHYSA-N 0 3 353.426 0.982 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnc3c(cnn3C)c2)C[C@H]1C ZINC001216064541 1224032707 /nfs/dbraw/zinc/03/27/07/1224032707.db2.gz BXNVBHICTBPZCK-DVOMOZLQSA-N 0 3 368.441 0.156 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cnn(CC3CCCC3)c2)C[C@H]1C ZINC001216104988 1224034238 /nfs/dbraw/zinc/03/42/38/1224034238.db2.gz RBAFDEVQCWSZBI-CRAIPNDOSA-N 0 3 371.485 0.873 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cccc(OC(C)C)n2)C[C@H]1C ZINC001216125329 1224035752 /nfs/dbraw/zinc/03/57/52/1224035752.db2.gz PQSLQZAQVSNOSB-GDBMZVCRSA-N 0 3 358.442 0.668 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)CCc2nc3cc[nH]cc-3n2)C[C@H]1C ZINC001216251940 1224040174 /nfs/dbraw/zinc/04/01/74/1224040174.db2.gz HNCXHOAUCUOFJS-CZUORRHYSA-N 0 3 368.441 0.076 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2nccn3cc(C)nc23)C[C@H]1C ZINC001216252074 1224040420 /nfs/dbraw/zinc/04/04/20/1224040420.db2.gz JIXXABIQLAEIJQ-VHDGCEQUSA-N 0 3 370.457 0.779 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)COCCCOC)C[C@H]1C ZINC001216284976 1224041675 /nfs/dbraw/zinc/04/16/75/1224041675.db2.gz ZWKFQZRFYDHYRA-HZPDHXFCSA-N 0 3 368.478 0.238 20 30 FCEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1C ZINC001216383981 1224048022 /nfs/dbraw/zinc/04/80/22/1224048022.db2.gz VABOCINEPYMMTC-NVXWUHKLSA-N 0 3 361.490 0.824 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)c2cn(CC)cn2)C[C@H]1C ZINC001216413214 1224049030 /nfs/dbraw/zinc/04/90/30/1224049030.db2.gz FRVHZMJWSJJCJK-HUUCEWRRSA-N 0 3 360.462 0.715 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCCC(=O)NC(C)C)C[C@H]1C ZINC001216444117 1224051675 /nfs/dbraw/zinc/05/16/75/1224051675.db2.gz OUWNRXHVXXXGIL-OWCLPIDISA-N 0 3 366.506 0.809 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(=O)NC3CC3)C2)nc1 ZINC001216458935 1224052463 /nfs/dbraw/zinc/05/24/63/1224052463.db2.gz IRHPOYCHGUMSKW-MLGOLLRUSA-N 0 3 369.425 0.101 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC(F)(F)F)C2)nc1 ZINC001216459248 1224052474 /nfs/dbraw/zinc/05/24/74/1224052474.db2.gz SJPFUHVAUWDNTN-BXUZGUMPSA-N 0 3 368.359 0.792 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)Cc2cccc(NC(C)=O)c2)C[C@H]1C ZINC001216490644 1224053010 /nfs/dbraw/zinc/05/30/10/1224053010.db2.gz IHRGFISQYPQWFH-RDTXWAMCSA-N 0 3 370.453 0.373 20 30 FCEDHN COc1cccc(OC)c1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1 ZINC001216547930 1224055367 /nfs/dbraw/zinc/05/53/67/1224055367.db2.gz QOTOCKVUMPKLDQ-CHWSQXEVSA-N 0 3 360.414 0.394 20 30 FCEDHN C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(=O)NC)C1 ZINC001216561196 1224055961 /nfs/dbraw/zinc/05/59/61/1224055961.db2.gz QSVYMQPKMOQXHW-JKIFEVAISA-N 0 3 370.453 0.491 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccc3nnn(C)c3c2)C[C@H]1C ZINC001216585388 1224057158 /nfs/dbraw/zinc/05/71/58/1224057158.db2.gz YIMHLDFXMRXGSE-DVOMOZLQSA-N 0 3 370.457 0.709 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)COc2c(C)cccc2C)C[C@H]1C ZINC001216706459 1224062625 /nfs/dbraw/zinc/06/26/25/1224062625.db2.gz FTMKWPBOJFNWNJ-IAGOWNOFSA-N 0 3 357.454 0.868 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)COc2cccc(F)c2)C[C@H]1C ZINC001216739618 1224066930 /nfs/dbraw/zinc/06/69/30/1224066930.db2.gz BSLHLCKROOMUQO-CKEIUWERSA-N 0 3 361.417 0.779 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)CCCc2nc(CC)no2)C[C@H]1C ZINC001216747088 1224067928 /nfs/dbraw/zinc/06/79/28/1224067928.db2.gz JZMUPJBZCFLGKZ-ZIAGYGMSSA-N 0 3 361.446 0.141 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2cccn2CC)C[C@H]1C ZINC001216759700 1224069605 /nfs/dbraw/zinc/06/96/05/1224069605.db2.gz VGZDRNXOXLLPIF-ZIAGYGMSSA-N 0 3 361.446 0.570 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(C)nc3cc(C)nn32)C[C@H]1C ZINC001216784869 1224071458 /nfs/dbraw/zinc/07/14/58/1224071458.db2.gz VACGLNZCQQZJRK-IUODEOHRSA-N 0 3 370.457 0.698 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)Cc2c(C)n[nH]c2C)C[C@H]1C ZINC001216789973 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357.454 0.814 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cc(N(C)C)ccn2)C[C@H]1C ZINC001216959107 1224082402 /nfs/dbraw/zinc/08/24/02/1224082402.db2.gz FZTNXVHPSFMVMV-CKEIUWERSA-N 0 3 357.458 0.336 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)CN(C)Cc2ccccc2)C[C@H]1C ZINC001216986925 1224083362 /nfs/dbraw/zinc/08/33/62/1224083362.db2.gz FDVRHHFKVBMCEP-SJLPKXTDSA-N 0 3 356.470 0.304 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cnc(C(C)(C)C)nc2)C[C@H]1C ZINC001217059784 1224086792 /nfs/dbraw/zinc/08/67/92/1224086792.db2.gz OPCRMHYIBMCMLU-UKRRQHHQSA-N 0 3 357.458 0.574 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](CCC(C)C)NC(C)=O)C[C@H]1C ZINC001217117350 1224090067 /nfs/dbraw/zinc/09/00/67/1224090067.db2.gz JDWVPXQTZHLPCB-DJIMGWMZSA-N 0 3 366.506 0.666 20 30 FCEDHN N#CCOc1cccc(NC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC001327763256 1265417283 /nfs/dbraw/zinc/41/72/83/1265417283.db2.gz OKPNLVWWOOUFRV-MRXNPFEDSA-N 0 3 372.425 0.897 20 30 FCEDHN 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/nfs/dbraw/zinc/20/53/35/1260205335.db2.gz BKTJQBQIGMCXGA-MRXNPFEDSA-N 0 3 361.490 0.377 20 30 FCEDHN C#CCNC(=O)CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](CC)N(C)C ZINC001282210897 1261383423 /nfs/dbraw/zinc/38/34/23/1261383423.db2.gz JGLFBZYWHGXHKI-OWCLPIDISA-N 0 3 364.490 0.209 20 30 FCEDHN NC[C@H](O)C(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001580325931 1278126947 /nfs/dbraw/zinc/12/69/47/1278126947.db2.gz STVLTPVDIBSHTI-PBXRRBTRSA-N 0 3 356.213 0.935 20 30 FCEDHN CN1CCN(Cc2cccc(CNC(=O)N3CCO[C@@H](C#N)C3)c2)CC1 ZINC001318299706 1263560329 /nfs/dbraw/zinc/56/03/29/1263560329.db2.gz BIOKVQAZGSFVNS-SFHVURJKSA-N 0 3 357.458 0.868 20 30 FCEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(OCC#N)cc1)CN1CCN(C)CC1 ZINC001321951536 1264107727 /nfs/dbraw/zinc/10/77/27/1264107727.db2.gz IEABBEMVYDYHCX-HNNXBMFYSA-N 0 3 373.457 0.527 20 30 FCEDHN CN(CCNC(=O)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)C1CC1 ZINC001322025038 1264133307 /nfs/dbraw/zinc/13/33/07/1264133307.db2.gz KMPAGAFPMGKOIV-QGZVFWFLSA-N 0 3 356.426 0.669 20 30 FCEDHN COCCN1CC[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 ZINC001322564573 1264219027 /nfs/dbraw/zinc/21/90/27/1264219027.db2.gz ATAWQPNSWFKKDU-HOTGVXAUSA-N 0 3 356.426 0.748 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC(C(=O)NCCC)CC2)CC1 ZINC001322607317 1264228652 /nfs/dbraw/zinc/22/86/52/1264228652.db2.gz NAFRTWIAPGKKIF-UHFFFAOYSA-N 0 3 364.490 0.518 20 30 FCEDHN CC#CCCNC(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC001323318658 1264399234 /nfs/dbraw/zinc/39/92/34/1264399234.db2.gz IMOJNJQNBWDBFJ-UHFFFAOYSA-N 0 3 357.454 0.789 20 30 FCEDHN N#Cc1ccc(N2C[C@H](C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)CC2=O)cc1 ZINC001325578536 1264935439 /nfs/dbraw/zinc/93/54/39/1264935439.db2.gz CEPJHIUKRZYSME-NXHRZFHOSA-N 0 3 368.437 0.891 20 30 FCEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)C(C)C ZINC001326389548 1265103339 /nfs/dbraw/zinc/10/33/39/1265103339.db2.gz XFWCLFBDMANGLD-APWZRJJASA-N 0 3 362.474 0.678 20 30 FCEDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 ZINC001327197732 1265250840 /nfs/dbraw/zinc/25/08/40/1265250840.db2.gz SVUABUOCVCQQKH-YOEHRIQHSA-N 0 3 371.441 0.474 20 30 FCEDHN N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H](CO)CN3CCCCC3)CC2=O)cc1 ZINC001327375662 1265295289 /nfs/dbraw/zinc/29/52/89/1265295289.db2.gz IKYCWNNKFADDBK-DLBZAZTESA-N 0 3 370.453 0.874 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC(C(=O)OC(C)C)CC2)CC1 ZINC001333780284 1266712794 /nfs/dbraw/zinc/71/27/94/1266712794.db2.gz WKQKJRXAOLSCAC-UHFFFAOYSA-N 0 3 365.474 0.943 20 30 FCEDHN C[C@@H](C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1)n1cnc(C#N)n1 ZINC001533695231 1267234513 /nfs/dbraw/zinc/23/45/13/1267234513.db2.gz MTTIIENGZBTEIP-ZDUSSCGKSA-N 0 3 359.434 0.043 20 30 FCEDHN C=CCn1c(-c2ncnn2C)nnc1N1CCC(N2CCN(C)CC2)CC1 ZINC001339237586 1268192787 /nfs/dbraw/zinc/19/27/87/1268192787.db2.gz HHYCYGIJNCZDMC-UHFFFAOYSA-N 0 3 371.493 0.476 20 30 FCEDHN C=CCn1c(-c2cnc[nH]c2=O)nnc1N1CCN(C2CCOCC2)CC1 ZINC001339607202 1268280697 /nfs/dbraw/zinc/28/06/97/1268280697.db2.gz QJJRDCALJGXGRT-UHFFFAOYSA-N 0 3 371.445 0.928 20 30 FCEDHN C=CCn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1C1(O)CC1 ZINC001340343084 1268517560 /nfs/dbraw/zinc/51/75/60/1268517560.db2.gz VBBVODADSXEVFR-UHFFFAOYSA-N 0 3 360.462 0.190 20 30 FCEDHN C=CCn1c(N2CCN(C3CCOCC3)CC2)nnc1[C@@](C)(O)COC ZINC001340472254 1268559517 /nfs/dbraw/zinc/55/95/17/1268559517.db2.gz FEBZFMBSXMSGIA-SFHVURJKSA-N 0 3 365.478 0.619 20 30 FCEDHN C=CCn1c(-c2nc[nH]n2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001340541383 1268580561 /nfs/dbraw/zinc/58/05/61/1268580561.db2.gz XCSIUGKQDNTSTB-UHFFFAOYSA-N 0 3 358.450 0.798 20 30 FCEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CCN(C)C1=O)C(C)C ZINC001340557513 1268586219 /nfs/dbraw/zinc/58/62/19/1268586219.db2.gz QPIYVDFOYREWQL-LSDHHAIUSA-N 0 3 350.463 0.148 20 30 FCEDHN C=CCOCc1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1CC ZINC001340988647 1268735938 /nfs/dbraw/zinc/73/59/38/1268735938.db2.gz IOTSWUJFPDXQOE-UHFFFAOYSA-N 0 3 364.494 0.991 20 30 FCEDHN C=C[C@H](COC)NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001341461778 1269013385 /nfs/dbraw/zinc/01/33/85/1269013385.db2.gz YUNHMKMNZTWIMH-NVXWUHKLSA-N 0 3 362.474 0.789 20 30 FCEDHN Cc1cc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)nn1CCC#N ZINC001341493586 1269031454 /nfs/dbraw/zinc/03/14/54/1269031454.db2.gz DQRZVFSJPZGJKF-KGLIPLIRSA-N 0 3 360.418 0.023 20 30 FCEDHN C=C(C)Cn1c([C@@H](C)O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001342777201 1269602441 /nfs/dbraw/zinc/60/24/41/1269602441.db2.gz AXLFZWHCXUIPPG-CABCVRRESA-N 0 3 362.478 0.650 20 30 FCEDHN C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC001343967429 1270064343 /nfs/dbraw/zinc/06/43/43/1270064343.db2.gz YGPSRLVWGQDHLT-JYJNAYRXSA-N 0 3 374.489 0.757 20 30 FCEDHN COCCCNC(=O)C(C#N)C(=O)C1CCN(C(=O)c2cccnc2)CC1 ZINC001343982038 1270067800 /nfs/dbraw/zinc/06/78/00/1270067800.db2.gz CUQHWZIGNNPGAE-MRXNPFEDSA-N 0 3 372.425 0.795 20 30 FCEDHN C#CCCCC(=O)N1CCCC[C@@H]1CN(C)[C@H](C)C(=O)NCc1c[nH]nn1 ZINC001574850131 1271599401 /nfs/dbraw/zinc/59/94/01/1271599401.db2.gz NHHIYSSMHLMQNG-NVXWUHKLSA-N 0 3 374.489 0.926 20 30 FCEDHN C#CCN(C(=O)[C@H]1CCOC[C@@H]1C)C1CCN(CCc2cn[nH]n2)CC1 ZINC001574895648 1271657192 /nfs/dbraw/zinc/65/71/92/1271657192.db2.gz XLCPIBRIWRWRON-YJBOKZPZSA-N 0 3 359.474 0.946 20 30 FCEDHN C=C(C)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(OCc3c[nH]nn3)cc2)C1 ZINC001575047890 1271700605 /nfs/dbraw/zinc/70/06/05/1271700605.db2.gz GMPMODNESOYJSO-IAGOWNOFSA-N 0 3 357.414 0.735 20 30 FCEDHN C=C[C@](C)(CC)C(=O)NC[C@@H]1CN(CC(=O)NCc2c[nH]nn2)C[C@H]1C ZINC001575074667 1271709990 /nfs/dbraw/zinc/70/99/90/1271709990.db2.gz XRDSBOWZCXGYMN-HBUWYVDXSA-N 0 3 362.478 0.707 20 30 FCEDHN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CN(CC(=O)NCc3c[nH]nn3)C[C@@]2(C)C1 ZINC001575073174 1271710246 /nfs/dbraw/zinc/71/02/46/1271710246.db2.gz OCFURPHTDMVUCU-CCKFTAQKSA-N 0 3 374.489 0.804 20 30 FCEDHN C=CCCC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(CC(=O)NCc2c[nH]nn2)C1 ZINC001575085516 1271714587 /nfs/dbraw/zinc/71/45/87/1271714587.db2.gz LENRTUSVUVZHSQ-HJWJTTGWSA-N 0 3 372.473 0.556 20 30 FCEDHN C=CCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)Cc1ccccc1-c1c[nH]nn1 ZINC001575103677 1271719661 /nfs/dbraw/zinc/71/96/61/1271719661.db2.gz HFYRFJSXUULDTP-KGLIPLIRSA-N 0 3 370.457 0.799 20 30 FCEDHN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCN(Cc3cn[nH]n3)CC1)C2 ZINC001575122052 1271732319 /nfs/dbraw/zinc/73/23/19/1271732319.db2.gz BUVJLXLXGLBKLA-KURKYZTESA-N 0 3 356.474 0.762 20 30 FCEDHN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCN(Cc3c[nH]nn3)CC1)C2 ZINC001575122052 1271732327 /nfs/dbraw/zinc/73/23/27/1271732327.db2.gz BUVJLXLXGLBKLA-KURKYZTESA-N 0 3 356.474 0.762 20 30 FCEDHN CC#CCN[C@@]1(CO)CCCN(C(=O)c2ccc(-c3cn[nH]n3)nc2)C1 ZINC001575122288 1271732943 /nfs/dbraw/zinc/73/29/43/1271732943.db2.gz DYBJUOAIJPIWMT-SFHVURJKSA-N 0 3 354.414 0.447 20 30 FCEDHN COC[C@]1(C(=O)OC(C)(C)C)CN(C(=O)[C@@H](N)CCCC#N)CCO1 ZINC001578979705 1276539332 /nfs/dbraw/zinc/53/93/32/1276539332.db2.gz MPEKNWBIFMIJPR-GUYCJALGSA-N 0 3 355.435 0.593 20 30 FCEDHN C[N@H+](CCNC(=O)c1ccc(C#N)[nH]1)Cc1ccccc1-c1nnn[n-]1 ZINC001579197141 1276973977 /nfs/dbraw/zinc/97/39/77/1276973977.db2.gz AESJQGNQUSGSBF-UHFFFAOYSA-N 0 3 350.386 0.928 20 30 FCEDHN C[N@@H+](CCNC(=O)c1ccc(C#N)[nH]1)Cc1ccccc1-c1nnn[n-]1 ZINC001579197141 1276973978 /nfs/dbraw/zinc/97/39/78/1276973978.db2.gz AESJQGNQUSGSBF-UHFFFAOYSA-N 0 3 350.386 0.928 20 30 FCEDHN Cc1ccc(C(=O)N2CCNCC2(C)C)cc1S(=O)(=O)NCC#N ZINC001579661333 1277729997 /nfs/dbraw/zinc/72/99/97/1277729997.db2.gz WZYGIARZHCCWML-UHFFFAOYSA-N 0 3 350.444 0.621 20 30 FCEDHN COc1ccc(C[NH2+][C@@H](C)CNC(=O)C#CC2CC2)cc1-c1nnn[n-]1 ZINC001580015984 1277990632 /nfs/dbraw/zinc/99/06/32/1277990632.db2.gz UNZBXMYPCBWEHX-LBPRGKRZSA-N 0 3 354.414 0.883 20 30 FCEDHN COc1ccc(C[NH2+][C@@H](C)CNC(=O)C#CC2CC2)cc1-c1nn[n-]n1 ZINC001580015984 1277990638 /nfs/dbraw/zinc/99/06/38/1277990638.db2.gz UNZBXMYPCBWEHX-LBPRGKRZSA-N 0 3 354.414 0.883 20 30 FCEDHN COc1ccc(CN(C)CCCN(C)C(=O)[C@H]2C[C@H]2C(N)=O)cc1C#N ZINC001717212375 1287412711 /nfs/dbraw/zinc/41/27/11/1287412711.db2.gz WDYBZDAFLURHHC-CVEARBPZSA-N 0 3 358.442 0.969 20 30 FCEDHN N#Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nnn[n-]5)cc4)C[C@H]32)c[nH]1 ZINC001581864637 1280618765 /nfs/dbraw/zinc/61/87/65/1280618765.db2.gz GGUCBRWTWZUVTI-FVQHAEBGSA-N 0 3 374.408 0.927 20 30 FCEDHN N#Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5nnn[n-]5)cc4)C[C@H]32)c[nH]1 ZINC001581864637 1280618773 /nfs/dbraw/zinc/61/87/73/1280618773.db2.gz GGUCBRWTWZUVTI-FVQHAEBGSA-N 0 3 374.408 0.927 20 30 FCEDHN N#Cc1ccc(C[NH2+]C[C@@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)s1 ZINC001581871948 1280626400 /nfs/dbraw/zinc/62/64/00/1280626400.db2.gz BRMFMVSRMMKRMS-SNVBAGLBSA-N 0 3 372.414 0.008 20 30 FCEDHN C#CCNC(=O)CC[NH2+]C1(c2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC001588354801 1282450068 /nfs/dbraw/zinc/45/00/68/1282450068.db2.gz ZPWCLDRUQJPSHR-UHFFFAOYSA-N 0 3 354.414 0.602 20 30 FCEDHN C#CCNC(=O)CC[NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC001588354801 1282450076 /nfs/dbraw/zinc/45/00/76/1282450076.db2.gz ZPWCLDRUQJPSHR-UHFFFAOYSA-N 0 3 354.414 0.602 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](C)NCc1cc(-c2nn[nH]n2)ccc1OC ZINC001588356476 1282460614 /nfs/dbraw/zinc/46/06/14/1282460614.db2.gz XSIDBYDMEAPGMA-OLZOCXBDSA-N 0 3 372.429 0.508 20 30 FCEDHN C#CCO[C@H](C)C(=O)NCCC[N@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588357309 1282464994 /nfs/dbraw/zinc/46/49/94/1282464994.db2.gz KVGIMWJSDBZWNS-CQSZACIVSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCO[C@H](C)C(=O)NCCC[N@@H+](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588357309 1282464997 /nfs/dbraw/zinc/46/49/97/1282464997.db2.gz KVGIMWJSDBZWNS-CQSZACIVSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588358082 1282468397 /nfs/dbraw/zinc/46/83/97/1282468397.db2.gz PDRPGJPGBKGIQA-KBPBESRZSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCOCCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001588359062 1282472778 /nfs/dbraw/zinc/47/27/78/1282472778.db2.gz GNXSTVYMRWOTHE-KBPBESRZSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCOCCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001588359062 1282472783 /nfs/dbraw/zinc/47/27/83/1282472783.db2.gz GNXSTVYMRWOTHE-KBPBESRZSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCOCCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588358943 1282472902 /nfs/dbraw/zinc/47/29/02/1282472902.db2.gz DKRTXGZZIGIPGY-UONOGXRCSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCOCCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588358943 1282472909 /nfs/dbraw/zinc/47/29/09/1282472909.db2.gz DKRTXGZZIGIPGY-UONOGXRCSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCOCCC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588359322 1282474542 /nfs/dbraw/zinc/47/45/42/1282474542.db2.gz LBPGXPMAGLUYCZ-INIZCTEOSA-N 0 3 368.441 0.939 20 30 FCEDHN C#CCOCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588359322 1282474548 /nfs/dbraw/zinc/47/45/48/1282474548.db2.gz LBPGXPMAGLUYCZ-INIZCTEOSA-N 0 3 368.441 0.939 20 30 FCEDHN C#CCOCCC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001588359322 1282474554 /nfs/dbraw/zinc/47/45/54/1282474554.db2.gz LBPGXPMAGLUYCZ-INIZCTEOSA-N 0 3 368.441 0.939 20 30 FCEDHN C#CCOCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001588359322 1282474556 /nfs/dbraw/zinc/47/45/56/1282474556.db2.gz LBPGXPMAGLUYCZ-INIZCTEOSA-N 0 3 368.441 0.939 20 30 FCEDHN C#CCOCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588359323 1282474674 /nfs/dbraw/zinc/47/46/74/1282474674.db2.gz LBPGXPMAGLUYCZ-MRXNPFEDSA-N 0 3 368.441 0.939 20 30 FCEDHN C#CCOCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588359323 1282474677 /nfs/dbraw/zinc/47/46/77/1282474677.db2.gz LBPGXPMAGLUYCZ-MRXNPFEDSA-N 0 3 368.441 0.939 20 30 FCEDHN C#CCOCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001588359323 1282474682 /nfs/dbraw/zinc/47/46/82/1282474682.db2.gz LBPGXPMAGLUYCZ-MRXNPFEDSA-N 0 3 368.441 0.939 20 30 FCEDHN C#CCOCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001588359323 1282474686 /nfs/dbraw/zinc/47/46/86/1282474686.db2.gz LBPGXPMAGLUYCZ-MRXNPFEDSA-N 0 3 368.441 0.939 20 30 FCEDHN C#CCOCCC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588361253 1282482738 /nfs/dbraw/zinc/48/27/38/1282482738.db2.gz ILAGGKSYJZIVEC-HNNXBMFYSA-N 0 3 368.441 0.845 20 30 FCEDHN C#CCOCCC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588361253 1282482745 /nfs/dbraw/zinc/48/27/45/1282482745.db2.gz ILAGGKSYJZIVEC-HNNXBMFYSA-N 0 3 368.441 0.845 20 30 FCEDHN C#CCOCCC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001588361253 1282482749 /nfs/dbraw/zinc/48/27/49/1282482749.db2.gz ILAGGKSYJZIVEC-HNNXBMFYSA-N 0 3 368.441 0.845 20 30 FCEDHN C#CCOCCC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001588361253 1282482750 /nfs/dbraw/zinc/48/27/50/1282482750.db2.gz ILAGGKSYJZIVEC-HNNXBMFYSA-N 0 3 368.441 0.845 20 30 FCEDHN C#CCOCCC(=O)NC[C@H](C)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588361364 1282483267 /nfs/dbraw/zinc/48/32/67/1282483267.db2.gz KONGRQUXIKJMEN-ZDUSSCGKSA-N 0 3 374.420 0.982 20 30 FCEDHN C#CCOCCC(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588361364 1282483274 /nfs/dbraw/zinc/48/32/74/1282483274.db2.gz KONGRQUXIKJMEN-ZDUSSCGKSA-N 0 3 374.420 0.982 20 30 FCEDHN C#CCOCCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588362361 1282486670 /nfs/dbraw/zinc/48/66/70/1282486670.db2.gz BGUYKMKMOBGGQD-KOMQPUFPSA-N 0 3 368.441 0.891 20 30 FCEDHN C#CCOCCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001588362361 1282486676 /nfs/dbraw/zinc/48/66/76/1282486676.db2.gz BGUYKMKMOBGGQD-KOMQPUFPSA-N 0 3 368.441 0.891 20 30 FCEDHN C=C(C[NH+](C)C)C(=O)N1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC001588444338 1282507868 /nfs/dbraw/zinc/50/78/68/1282507868.db2.gz XYINBPIUJUMYSB-UHFFFAOYSA-N 0 3 359.409 0.772 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588498694 1282527679 /nfs/dbraw/zinc/52/76/79/1282527679.db2.gz CHEUZRWQZNNSTI-MAUKXSAKSA-N 0 3 356.430 0.884 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001588498694 1282527684 /nfs/dbraw/zinc/52/76/84/1282527684.db2.gz CHEUZRWQZNNSTI-MAUKXSAKSA-N 0 3 356.430 0.884 20 30 FCEDHN C=C[C@](C)(O)CC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588500243 1282532627 /nfs/dbraw/zinc/53/26/27/1282532627.db2.gz TXNPKNKYKSDEKV-QAPCUYQASA-N 0 3 374.445 0.103 20 30 FCEDHN C=C[C@](C)(O)CC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588500243 1282532639 /nfs/dbraw/zinc/53/26/39/1282532639.db2.gz TXNPKNKYKSDEKV-QAPCUYQASA-N 0 3 374.445 0.103 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)NCCC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588503699 1282544023 /nfs/dbraw/zinc/54/40/23/1282544023.db2.gz DJMMROLHQZJWFB-QGZVFWFLSA-N 0 3 362.409 0.929 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)NCCC[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588503699 1282544032 /nfs/dbraw/zinc/54/40/32/1282544032.db2.gz DJMMROLHQZJWFB-QGZVFWFLSA-N 0 3 362.409 0.929 20 30 FCEDHN C=CCCC[NH2+][C@H](C)[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001588600574 1282580041 /nfs/dbraw/zinc/58/00/41/1282580041.db2.gz HEBWRULPDFMSEE-IUODEOHRSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCCC[NH2+][C@H](C)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001588600574 1282580054 /nfs/dbraw/zinc/58/00/54/1282580054.db2.gz HEBWRULPDFMSEE-IUODEOHRSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCCC[N@H+]1CCC[C@@](CO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588600764 1282582121 /nfs/dbraw/zinc/58/21/21/1282582121.db2.gz OZNGIMFOPFTQJU-QGZVFWFLSA-N 0 3 359.434 0.718 20 30 FCEDHN C=CCCC[N@@H+]1CCC[C@@](CO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588600764 1282582128 /nfs/dbraw/zinc/58/21/28/1282582128.db2.gz OZNGIMFOPFTQJU-QGZVFWFLSA-N 0 3 359.434 0.718 20 30 FCEDHN C=CCNC(=O)C[NH2+]C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001588659302 1282613872 /nfs/dbraw/zinc/61/38/72/1282613872.db2.gz JYVALIHECAMCGA-ZDUSSCGKSA-N 0 3 374.449 0.231 20 30 FCEDHN C=CCOCC[NH2+]C1(C)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001588682076 1282642105 /nfs/dbraw/zinc/64/21/05/1282642105.db2.gz AUOPTEXJIKTSHM-UHFFFAOYSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCOCC[NH2+]C1(C)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001588682076 1282642117 /nfs/dbraw/zinc/64/21/17/1282642117.db2.gz AUOPTEXJIKTSHM-UHFFFAOYSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCOCC[NH2+][C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1(C)C ZINC001588683410 1282644494 /nfs/dbraw/zinc/64/44/94/1282644494.db2.gz RVUJHJZCJQZKET-AWEZNQCLSA-N 0 3 359.434 0.838 20 30 FCEDHN C=CCOCC[NH2+][C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1(C)C ZINC001588683410 1282644508 /nfs/dbraw/zinc/64/45/08/1282644508.db2.gz RVUJHJZCJQZKET-AWEZNQCLSA-N 0 3 359.434 0.838 20 30 FCEDHN C=CCOCC[N@H+]1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C ZINC001588683446 1282644635 /nfs/dbraw/zinc/64/46/35/1282644635.db2.gz SSAAEQOMJVXXBQ-OCCSQVGLSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[N@@H+]1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C ZINC001588683446 1282644647 /nfs/dbraw/zinc/64/46/47/1282644647.db2.gz SSAAEQOMJVXXBQ-OCCSQVGLSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[N@H+]1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C ZINC001588683446 1282644660 /nfs/dbraw/zinc/64/46/60/1282644660.db2.gz SSAAEQOMJVXXBQ-OCCSQVGLSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[N@@H+]1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C ZINC001588683446 1282644678 /nfs/dbraw/zinc/64/46/78/1282644678.db2.gz SSAAEQOMJVXXBQ-OCCSQVGLSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001588683480 1282645436 /nfs/dbraw/zinc/64/54/36/1282645436.db2.gz VJQHPZQXAGUDGO-TZMCWYRMSA-N 0 3 359.434 0.695 20 30 FCEDHN C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001588683480 1282645444 /nfs/dbraw/zinc/64/54/44/1282645444.db2.gz VJQHPZQXAGUDGO-TZMCWYRMSA-N 0 3 359.434 0.695 20 30 FCEDHN C=CCOCC[N@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001588682990 1282645982 /nfs/dbraw/zinc/64/59/82/1282645982.db2.gz MPANJNKVOOUFDV-CHWSQXEVSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001588682990 1282646000 /nfs/dbraw/zinc/64/60/00/1282646000.db2.gz MPANJNKVOOUFDV-CHWSQXEVSA-N 0 3 359.434 0.980 20 30 FCEDHN CC#CCCCC(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001588740313 1282681718 /nfs/dbraw/zinc/68/17/18/1282681718.db2.gz LLZBEMPTHOIMHS-INIZCTEOSA-N 0 3 356.430 0.627 20 30 FCEDHN CC#CCCCC(=O)NC[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001588740313 1282681733 /nfs/dbraw/zinc/68/17/33/1282681733.db2.gz LLZBEMPTHOIMHS-INIZCTEOSA-N 0 3 356.430 0.627 20 30 FCEDHN CC(C)C#CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001589380186 1282858510 /nfs/dbraw/zinc/85/85/10/1282858510.db2.gz OWINOQDXHJRICA-HNNXBMFYSA-N 0 3 374.420 0.574 20 30 FCEDHN CC(C)C#CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001589380186 1282858524 /nfs/dbraw/zinc/85/85/24/1282858524.db2.gz OWINOQDXHJRICA-HNNXBMFYSA-N 0 3 374.420 0.574 20 30 FCEDHN CCO[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1CNC(=O)C#CC1CC1 ZINC001684646799 1284235778 /nfs/dbraw/zinc/23/57/78/1284235778.db2.gz JXJHCAKKBCCYQP-LMMKCTJWSA-N 0 3 363.502 0.966 20 30 FCEDHN COC(=O)[C@@]1(F)CCN(C(=O)C(C#N)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591241630 1284387280 /nfs/dbraw/zinc/38/72/80/1284387280.db2.gz AKZIHYZFWRJEQQ-CXAGYDPISA-N 0 3 372.360 0.663 20 30 FCEDHN COCC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001591360532 1284496750 /nfs/dbraw/zinc/49/67/50/1284496750.db2.gz FEUWITMUEOGGGL-JSGCOSHPSA-N 0 3 357.418 0.333 20 30 FCEDHN COCC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001591360532 1284496752 /nfs/dbraw/zinc/49/67/52/1284496752.db2.gz FEUWITMUEOGGGL-JSGCOSHPSA-N 0 3 357.418 0.333 20 30 FCEDHN COCC#CC[NH2+][C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1(C)C ZINC001591360732 1284496889 /nfs/dbraw/zinc/49/68/89/1284496889.db2.gz GKXINBXWZRTNSQ-AWEZNQCLSA-N 0 3 357.418 0.285 20 30 FCEDHN COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001591361439 1284497904 /nfs/dbraw/zinc/49/79/04/1284497904.db2.gz MFGFHLHZXSUEHZ-OAHLLOKOSA-N 0 3 357.418 0.285 20 30 FCEDHN COCC#CC[N@H+](CCCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001591361475 1284497922 /nfs/dbraw/zinc/49/79/22/1284497922.db2.gz MVQPOECWUKTGHJ-UHFFFAOYSA-N 0 3 359.434 0.675 20 30 FCEDHN COCC#CC[N@@H+](CCCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001591361475 1284497923 /nfs/dbraw/zinc/49/79/23/1284497923.db2.gz MVQPOECWUKTGHJ-UHFFFAOYSA-N 0 3 359.434 0.675 20 30 FCEDHN COCC#CC[N@H+](CCCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001591361475 1284497927 /nfs/dbraw/zinc/49/79/27/1284497927.db2.gz MVQPOECWUKTGHJ-UHFFFAOYSA-N 0 3 359.434 0.675 20 30 FCEDHN COCC#CC[N@@H+](CCCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001591361475 1284497931 /nfs/dbraw/zinc/49/79/31/1284497931.db2.gz MVQPOECWUKTGHJ-UHFFFAOYSA-N 0 3 359.434 0.675 20 30 FCEDHN COCC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001591361387 1284497964 /nfs/dbraw/zinc/49/79/64/1284497964.db2.gz KVIFLDWTQVTYDM-CFVMTHIKSA-N 0 3 369.429 0.427 20 30 FCEDHN COCC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001591361387 1284497971 /nfs/dbraw/zinc/49/79/71/1284497971.db2.gz KVIFLDWTQVTYDM-CFVMTHIKSA-N 0 3 369.429 0.427 20 30 FCEDHN COCC#CC[NH2+]C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001591362995 1284499801 /nfs/dbraw/zinc/49/98/01/1284499801.db2.gz YPQMOFUJDUQTGX-INIZCTEOSA-N 0 3 371.445 0.723 20 30 FCEDHN COCC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001591362750 1284499854 /nfs/dbraw/zinc/49/98/54/1284499854.db2.gz XEGNCTXGTAVVIM-CFVMTHIKSA-N 0 3 369.429 0.427 20 30 FCEDHN COCC#CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001591362686 1284499929 /nfs/dbraw/zinc/49/99/29/1284499929.db2.gz WAZVNFXFMQCWIW-ZDUSSCGKSA-N 0 3 357.418 0.239 20 30 FCEDHN COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001591362686 1284499936 /nfs/dbraw/zinc/49/99/36/1284499936.db2.gz WAZVNFXFMQCWIW-ZDUSSCGKSA-N 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ZKMQVJAHAWNFLQ-IIDMSEBBSA-N 0 3 355.479 0.483 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1c(Cl)cnn1C ZINC001226283087 857095005 /nfs/dbraw/zinc/09/50/05/857095005.db2.gz BCVWPRIXYPYHOJ-CHWSQXEVSA-N 0 3 351.838 0.454 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1csc2cncn21 ZINC001228878537 857234132 /nfs/dbraw/zinc/23/41/32/857234132.db2.gz XHGNHZPECQAOIA-VXGBXAGGSA-N 0 3 360.443 0.666 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCC1CCOCC1 ZINC001228938795 857239737 /nfs/dbraw/zinc/23/97/37/857239737.db2.gz FVCICQBNVVYGHN-HZPDHXFCSA-N 0 3 350.463 0.850 20 30 FCEDHN COCc1ncsc1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N ZINC001229007563 857244884 /nfs/dbraw/zinc/24/48/84/857244884.db2.gz PNGTUQJUGGLCGG-VXGBXAGGSA-N 0 3 365.459 0.560 20 30 FCEDHN C=CCN(CC=C)CCN1CCN(C(=S)NCCC[S@@](C)=O)CC1 ZINC001246506005 857582348 /nfs/dbraw/zinc/58/23/48/857582348.db2.gz IHBWWCOWKVHWTH-XMMPIXPASA-N 0 3 372.604 0.921 20 30 FCEDHN C=CCOC[C@@H](O)CN1CC[C@H]2O[C@H](C(=O)N3CCCCO3)CC[C@H]21 ZINC001252460373 857811076 /nfs/dbraw/zinc/81/10/76/857811076.db2.gz BEMIPFBSLHLFBH-HZMVEIRTSA-N 0 3 354.447 0.726 20 30 FCEDHN CN(C)S(=O)(=O)N1CC2(C1)CCN(Cc1cc(C#N)n(C)c1)CC2 ZINC001279569099 862961616 /nfs/dbraw/zinc/96/16/16/862961616.db2.gz ZSMRONSPYXAESQ-UHFFFAOYSA-N 0 3 351.476 0.601 20 30 FCEDHN C=CCN(CC=C)CCN1CCN(C[C@@H](O)C(=O)OC(C)(C)C)CC1 ZINC001253689893 857904470 /nfs/dbraw/zinc/90/44/70/857904470.db2.gz VMNRRSWPFLXZHZ-QGZVFWFLSA-N 0 3 353.507 0.981 20 30 FCEDHN Cc1ccc(S(=O)(=O)OCCc2cn(C[C@H]3CNCCO3)nn2)cc1 ZINC001254060693 857937842 /nfs/dbraw/zinc/93/78/42/857937842.db2.gz UXWTUMAPOIMGAK-OAHLLOKOSA-N 0 3 366.443 0.523 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)NCCCC(=O)N(CC)CC)CC1 ZINC001258205263 858182563 /nfs/dbraw/zinc/18/25/63/858182563.db2.gz VISDLYANSBLBSQ-UHFFFAOYSA-N 0 3 352.479 0.518 20 30 FCEDHN C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)N(C)C)cc1 ZINC001261511665 858573388 /nfs/dbraw/zinc/57/33/88/858573388.db2.gz NUFIMCCPFBIUBS-NWDGAFQWSA-N 0 3 366.443 0.377 20 30 FCEDHN N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC(N[C@H]3CCOC3)C2)cc1 ZINC001304083849 866495730 /nfs/dbraw/zinc/49/57/30/866495730.db2.gz KBVRZSYZHJVAHW-HNNXBMFYSA-N 0 3 363.439 0.062 20 30 FCEDHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+][C@H]2CCCN([O-])C2=O)CC1 ZINC001308844781 866720888 /nfs/dbraw/zinc/72/08/88/866720888.db2.gz WYDPTJDOJNKTHH-ZDUSSCGKSA-N 0 3 371.463 0.149 20 30 FCEDHN O=C(NCCNCc1cnc(N2CCOCC2)s1)C1N=CC=CC1=O ZINC001318521573 867686121 /nfs/dbraw/zinc/68/61/21/867686121.db2.gz NKDYTFCZSGUUAV-CCEZHUSRSA-N 0 3 363.443 0.596 20 30 FCEDHN CCN1CCN([C@H](C)CNCCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC001356571227 868028407 /nfs/dbraw/zinc/02/84/07/868028407.db2.gz ZJUNCXKKOOKSRX-OAHLLOKOSA-N 0 3 365.503 0.343 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC1 ZINC001322161776 868749846 /nfs/dbraw/zinc/74/98/46/868749846.db2.gz KBWAGAHBYWIRQK-UHFFFAOYSA-N 0 3 366.443 0.190 20 30 FCEDHN C=CCn1cnn(CN2CCN(C(=O)CN3CCCC3)CC2)c1=S ZINC001323067383 869045652 /nfs/dbraw/zinc/04/56/52/869045652.db2.gz VGECQBIFFIWCFN-UHFFFAOYSA-N 0 3 350.492 0.798 20 30 FCEDHN C=CCN(C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)C1CC1 ZINC001326170354 870196258 /nfs/dbraw/zinc/19/62/58/870196258.db2.gz AESFMYZGUIDLJN-OAHLLOKOSA-N 0 3 350.463 0.222 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(C(=O)OCC)C2)CC1 ZINC001343333252 870369029 /nfs/dbraw/zinc/36/90/29/870369029.db2.gz CITLOBVOIRFGJW-CQSZACIVSA-N 0 3 352.435 0.100 20 30 FCEDHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC001327297681 870773571 /nfs/dbraw/zinc/77/35/71/870773571.db2.gz WEUIJHAVCKLYOT-RYUDHWBXSA-N 0 3 366.443 0.377 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC[C@@H](S(C)(=O)=O)CC2)CC1 ZINC001346151850 871670678 /nfs/dbraw/zinc/67/06/78/871670678.db2.gz GLHFTHXEMBAWLQ-OAHLLOKOSA-N 0 3 371.503 0.179 20 30 FCEDHN C=CC[C@H](CC)NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC001328898619 871698848 /nfs/dbraw/zinc/69/88/48/871698848.db2.gz OOHFTEFZEJUFTH-GJZGRUSLSA-N 0 3 352.479 0.516 20 30 FCEDHN COCCN(C)CCN1C[C@H](NC(=O)c2csc(C#N)c2)CC1=O ZINC001329159500 871855316 /nfs/dbraw/zinc/85/53/16/871855316.db2.gz BRAYTAOGYHSVEF-CYBMUJFWSA-N 0 3 350.444 0.529 20 30 FCEDHN N#CCCC[C@@H](N)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC001332119552 873382064 /nfs/dbraw/zinc/38/20/64/873382064.db2.gz LOGKEMOSUSYEPE-OAHLLOKOSA-N 0 3 350.444 0.881 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573285865 946789506 /nfs/dbraw/zinc/78/95/06/946789506.db2.gz PRTKCZVNUUUYAN-KRWDZBQOSA-N 0 3 367.457 0.512 20 30 FCEDHN C#CCOCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573288055 946855569 /nfs/dbraw/zinc/85/55/69/946855569.db2.gz SCOXFDWOAGSZAZ-RHSMWYFYSA-N 0 3 368.441 0.843 20 30 FCEDHN C#CCOCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573288055 946855580 /nfs/dbraw/zinc/85/55/80/946855580.db2.gz SCOXFDWOAGSZAZ-RHSMWYFYSA-N 0 3 368.441 0.843 20 30 FCEDHN C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573294138 946978523 /nfs/dbraw/zinc/97/85/23/946978523.db2.gz VZKTVXTWKIQSCS-CQSZACIVSA-N 0 3 359.434 0.982 20 30 FCEDHN C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573294138 946978533 /nfs/dbraw/zinc/97/85/33/946978533.db2.gz VZKTVXTWKIQSCS-CQSZACIVSA-N 0 3 359.434 0.982 20 30 FCEDHN C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573294138 946978539 /nfs/dbraw/zinc/97/85/39/946978539.db2.gz VZKTVXTWKIQSCS-CQSZACIVSA-N 0 3 359.434 0.982 20 30 FCEDHN C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573294138 946978544 /nfs/dbraw/zinc/97/85/44/946978544.db2.gz VZKTVXTWKIQSCS-CQSZACIVSA-N 0 3 359.434 0.982 20 30 FCEDHN C[C@@H](C#N)C(=O)N1CCC(O)(C[NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573564185 946990431 /nfs/dbraw/zinc/99/04/31/946990431.db2.gz HNFPTABBMIIBOB-ZDUSSCGKSA-N 0 3 369.429 0.469 20 30 FCEDHN C[C@@H](C#N)C(=O)N1CCC(O)(C[NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573564185 946990435 /nfs/dbraw/zinc/99/04/35/946990435.db2.gz HNFPTABBMIIBOB-ZDUSSCGKSA-N 0 3 369.429 0.469 20 30 FCEDHN C=CCC[C@H](C)[NH2+]C[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001573334122 947446953 /nfs/dbraw/zinc/44/69/53/947446953.db2.gz JXIPMBNOXYANGR-JSGCOSHPSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCC[C@H](C)[NH2+]C[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001573334122 947446965 /nfs/dbraw/zinc/44/69/65/947446965.db2.gz JXIPMBNOXYANGR-JSGCOSHPSA-N 0 3 359.434 0.980 20 30 FCEDHN CC#CC[N@@H+](CCOC)C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573359040 947676490 /nfs/dbraw/zinc/67/64/90/947676490.db2.gz VDJHMSGPWJVBIN-UHFFFAOYSA-N 0 3 371.445 0.771 20 30 FCEDHN CC#CC[N@H+](CCOC)C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573359040 947676498 /nfs/dbraw/zinc/67/64/98/947676498.db2.gz VDJHMSGPWJVBIN-UHFFFAOYSA-N 0 3 371.445 0.771 20 30 FCEDHN C[C@H](CNC(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575019565 951040624 /nfs/dbraw/zinc/04/06/24/951040624.db2.gz UQVDXBCGURUEDR-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)cc1-c1nnn[n-]1 ZINC001571060932 951945283 /nfs/dbraw/zinc/94/52/83/951945283.db2.gz VXXUZCKUCHXYMA-YWPYICTPSA-N 0 3 369.429 0.971 20 30 FCEDHN COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)cc1-c1nn[n-]n1 ZINC001571060932 951945293 /nfs/dbraw/zinc/94/52/93/951945293.db2.gz VXXUZCKUCHXYMA-YWPYICTPSA-N 0 3 369.429 0.971 20 30 FCEDHN COC(=O)Cn1cc(CN(CCN(C)C)Cc2ccc(C#N)cc2)nn1 ZINC000295978459 214326331 /nfs/dbraw/zinc/32/63/31/214326331.db2.gz JFIYEIXRHJDOCU-UHFFFAOYSA-N 0 3 356.430 0.887 20 30 FCEDHN CCN1C[C@@H](C)N(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)[C@H](C)C1 ZINC000332372830 215140072 /nfs/dbraw/zinc/14/00/72/215140072.db2.gz FRZFOGKBUQEWCN-HUUCEWRRSA-N 0 3 374.489 0.918 20 30 FCEDHN C[C@H](NC(=O)C(=O)N(C)CCCN1CCN(C)CC1)c1ccc(C#N)cc1 ZINC000284170916 213089733 /nfs/dbraw/zinc/08/97/33/213089733.db2.gz YSUXWZBOAWHELM-INIZCTEOSA-N 0 3 371.485 0.831 20 30 FCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCn1ccnc1 ZINC000283845291 213017988 /nfs/dbraw/zinc/01/79/88/213017988.db2.gz IXFKTDMSXRSHTD-UHFFFAOYSA-N 0 3 368.441 0.461 20 30 FCEDHN N#Cc1cccc(CNC(=O)CN2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000367296663 216103358 /nfs/dbraw/zinc/10/33/58/216103358.db2.gz RNUKCPJPCPBVCO-GOSISDBHSA-N 0 3 369.469 0.589 20 30 FCEDHN C[C@H](O)CN1CCC(CN(C)S(=O)(=O)c2cccnc2C#N)CC1 ZINC000276986230 212315378 /nfs/dbraw/zinc/31/53/78/212315378.db2.gz HVLRIXPTFVUGKS-ZDUSSCGKSA-N 0 3 352.460 0.667 20 30 FCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cncnc1 ZINC000275429074 212026969 /nfs/dbraw/zinc/02/69/69/212026969.db2.gz IOKNMUHOLIJMKK-UHFFFAOYSA-N 0 3 352.398 0.877 20 30 FCEDHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000419957715 246388110 /nfs/dbraw/zinc/38/81/10/246388110.db2.gz PCNVKNAWPNGFSO-QZTJIDSGSA-N 0 3 371.485 0.713 20 30 FCEDHN N#Cc1cccc(OC2CCN(C(=O)C(=O)N3CCCNCC3)CC2)c1 ZINC000423618579 247078775 /nfs/dbraw/zinc/07/87/75/247078775.db2.gz ZCBNSLZMLADAGZ-UHFFFAOYSA-N 0 3 356.426 0.750 20 30 FCEDHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000423706713 247118280 /nfs/dbraw/zinc/11/82/80/247118280.db2.gz RKUUMMQSYYNWHI-LBPRGKRZSA-N 0 3 362.405 0.873 20 30 FCEDHN COc1cc(OC)cc(N2CC[C@H](NC(=O)[C@H](N)CCCC#N)C2=O)c1 ZINC000424130439 247171331 /nfs/dbraw/zinc/17/13/31/247171331.db2.gz ZHKBVUDYASNKNR-CVEARBPZSA-N 0 3 360.414 0.946 20 30 FCEDHN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)[C@@H](N)CCCC#N)CC2)C1 ZINC000424154821 247173045 /nfs/dbraw/zinc/17/30/45/247173045.db2.gz MCHNHTJJKRPNIW-IKGGRYGDSA-N 0 3 363.506 0.847 20 30 FCEDHN CN1CCN(C(=O)Cc2cccc(NC(=O)[C@H](N)CCCC#N)c2)CC1 ZINC000424151620 247173256 /nfs/dbraw/zinc/17/32/56/247173256.db2.gz ICVYKQIUHVBRCD-QGZVFWFLSA-N 0 3 357.458 0.963 20 30 FCEDHN Cc1cccc(NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)c1C#N ZINC000424447306 247219006 /nfs/dbraw/zinc/21/90/06/247219006.db2.gz LDDGTXOYLSTOLD-LSDHHAIUSA-N 0 3 352.398 0.492 20 30 FCEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)N(CCOCCO)CCN(C)C ZINC000439626252 248136365 /nfs/dbraw/zinc/13/63/65/248136365.db2.gz QBAQYHKDVDCBEP-UHFFFAOYSA-N 0 3 362.430 0.204 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)CC1 ZINC000442286629 248282500 /nfs/dbraw/zinc/28/25/00/248282500.db2.gz CDOWWCSVJIFXAC-UHFFFAOYSA-N 0 3 372.425 0.747 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)CC1 ZINC000442313443 248284457 /nfs/dbraw/zinc/28/44/57/248284457.db2.gz ZGVLFBUUEAFUBK-UHFFFAOYSA-N 0 3 371.441 0.921 20 30 FCEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN(CCO)C2CCOCC2)CC1 ZINC000444769467 248367853 /nfs/dbraw/zinc/36/78/53/248367853.db2.gz IOXSFEUMGQJQED-KRWDZBQOSA-N 0 3 352.479 0.152 20 30 FCEDHN Cc1cc(C#N)cc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000453784893 249367520 /nfs/dbraw/zinc/36/75/20/249367520.db2.gz YBBWOEWCSUSYIK-UHFFFAOYSA-N 0 3 357.458 0.947 20 30 FCEDHN CCNC(=O)CN1CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000471705591 250115903 /nfs/dbraw/zinc/11/59/03/250115903.db2.gz KRCJJPFLWURHSC-KRWDZBQOSA-N 0 3 353.426 0.521 20 30 FCEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCN(CCn3cncn3)CC2)cc1 ZINC000472203068 250140210 /nfs/dbraw/zinc/14/02/10/250140210.db2.gz APLCRHBWTSESPI-GOSISDBHSA-N 0 3 363.425 0.676 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2COCCO2)cc1 ZINC000480962386 250302563 /nfs/dbraw/zinc/30/25/63/250302563.db2.gz MOSVJCHZIDOIFW-DGCLKSJQSA-N 0 3 353.400 0.909 20 30 FCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H]3CCCO)CC2)o1 ZINC000120345001 208380397 /nfs/dbraw/zinc/38/03/97/208380397.db2.gz QMLZQRXQVUNLQY-HNNXBMFYSA-N 0 3 361.446 0.740 20 30 FCEDHN COCCN(C)CCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC000263775641 229319038 /nfs/dbraw/zinc/31/90/38/229319038.db2.gz NYFCQLAOKLHCCN-UHFFFAOYSA-N 0 3 368.459 0.187 20 30 FCEDHN NC(=NOCc1nc(N)nc(N)n1)c1ccccc1CN1CCCCC1 ZINC000263685516 229319104 /nfs/dbraw/zinc/31/91/04/229319104.db2.gz AUABYEZIDAERBT-UHFFFAOYSA-N 0 3 356.434 0.859 20 30 FCEDHN C[C@@H]1C[C@@H](C)CN(C(C)(C)CNS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 ZINC000409561457 230029880 /nfs/dbraw/zinc/02/98/80/230029880.db2.gz 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/nfs/dbraw/zinc/96/84/16/488968416.db2.gz XIFUXJWFJFECRG-HNNXBMFYSA-N 0 3 352.479 0.956 20 30 FCEDHN C=CCNC(=O)[C@H](C)N1CCC(CC(=O)N2CCN(CC)CC2)CC1 ZINC000066568479 488331800 /nfs/dbraw/zinc/33/18/00/488331800.db2.gz DDXQPEHNGWBGAO-INIZCTEOSA-N 0 3 350.507 0.943 20 30 FCEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CCN(S(C)(=O)=O)CC1)C(C)C ZINC000079440402 488429483 /nfs/dbraw/zinc/42/94/83/488429483.db2.gz NLNMBYAYVMHYRR-MRXNPFEDSA-N 0 3 372.535 0.972 20 30 FCEDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000268982442 488460669 /nfs/dbraw/zinc/46/06/69/488460669.db2.gz PCYZFRZOEKYQHW-INIZCTEOSA-N 0 3 369.421 0.532 20 30 FCEDHN C=CCNC(=O)CNC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000245935547 488467490 /nfs/dbraw/zinc/46/74/90/488467490.db2.gz XAVVIHCTJYWCEY-GOSISDBHSA-N 0 3 373.501 0.967 20 30 FCEDHN CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000269792466 488512954 /nfs/dbraw/zinc/51/29/54/488512954.db2.gz KTVNUOAMPPKJQL-SFHVURJKSA-N 0 3 362.430 0.736 20 30 FCEDHN C[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000554519485 491207486 /nfs/dbraw/zinc/20/74/86/491207486.db2.gz RVYSWDVWNGLNPQ-SQWLQELKSA-N 0 3 356.492 0.698 20 30 FCEDHN C=CCNC(=O)CNC(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000272010858 488558491 /nfs/dbraw/zinc/55/84/91/488558491.db2.gz VYUAYEXVBXFBCE-UHFFFAOYSA-N 0 3 361.446 0.079 20 30 FCEDHN CN(CCCc1[nH]nc(N)c1C#N)[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000120296465 488560643 /nfs/dbraw/zinc/56/06/43/488560643.db2.gz MQDSDZBAONBOJI-AWEZNQCLSA-N 0 3 356.434 0.657 20 30 FCEDHN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CCCN(C)C1 ZINC000120368547 488561466 /nfs/dbraw/zinc/56/14/66/488561466.db2.gz VILJFOKDSDCRQQ-UKRRQHHQSA-N 0 3 364.471 0.683 20 30 FCEDHN CN(C)S(=O)(=O)c1ccc(CNC[C@H](O)CN(C)CCC#N)cc1 ZINC000562986585 491206131 /nfs/dbraw/zinc/20/61/31/491206131.db2.gz ZSBAOTDSHCWJHP-HNNXBMFYSA-N 0 3 354.476 0.233 20 30 FCEDHN CC[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N(C)C ZINC000124709272 488594891 /nfs/dbraw/zinc/59/48/91/488594891.db2.gz LUOFQWBRGHCSCX-MRXNPFEDSA-N 0 3 364.471 0.731 20 30 FCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCS(=O)(=O)N(C)C ZINC000136486808 488678017 /nfs/dbraw/zinc/67/80/17/488678017.db2.gz AQDHYJZOGHIIOA-UHFFFAOYSA-N 0 3 366.487 0.730 20 30 FCEDHN CN(CCNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C1CC1 ZINC000144583910 488692016 /nfs/dbraw/zinc/69/20/16/488692016.db2.gz FUZUUOIGAMPBSY-UHFFFAOYSA-N 0 3 350.444 0.389 20 30 FCEDHN CCS(=O)(=O)NCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000151090141 488701896 /nfs/dbraw/zinc/70/18/96/488701896.db2.gz ULNXHDUCCCJKHP-UHFFFAOYSA-N 0 3 352.460 0.388 20 30 FCEDHN C#CCOc1cccc(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)c1 ZINC000274460876 488710242 /nfs/dbraw/zinc/71/02/42/488710242.db2.gz AHLYJKJDKQTYAG-MRXNPFEDSA-N 0 3 372.469 0.779 20 30 FCEDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000274538509 488717631 /nfs/dbraw/zinc/71/76/31/488717631.db2.gz RDGYCNUDNGQRJG-HNNXBMFYSA-N 0 3 369.469 0.590 20 30 FCEDHN C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000554634710 491214863 /nfs/dbraw/zinc/21/48/63/491214863.db2.gz ZEDODUDTLXBEKY-INIZCTEOSA-N 0 3 374.489 0.859 20 30 FCEDHN C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1=O ZINC000274643251 488724778 /nfs/dbraw/zinc/72/47/78/488724778.db2.gz RLCWFCJCQVEMLZ-XJKSGUPXSA-N 0 3 372.425 0.771 20 30 FCEDHN CCOC(=O)CO/N=C(/C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)c1cc[nH]n1 ZINC000276536681 488784924 /nfs/dbraw/zinc/78/49/24/488784924.db2.gz FPVHILYYOQMEOM-HYUBCASUSA-N 0 3 363.418 0.435 20 30 FCEDHN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000161606555 488797672 /nfs/dbraw/zinc/79/76/72/488797672.db2.gz YARJCJBVFRXLEB-ZFWWWQNUSA-N 0 3 364.471 0.778 20 30 FCEDHN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000161600114 488797868 /nfs/dbraw/zinc/79/78/68/488797868.db2.gz GWYOAHFYHOLJCL-HIFRSBDPSA-N 0 3 364.471 0.778 20 30 FCEDHN CCOC(=O)CON=C(C(=O)N1CCCN(C(C)C)CC1)c1ccn[nH]1 ZINC000278142152 488802742 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Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H]3CCO[C@@H]3C3CC3)CC2)o1 ZINC000364616619 488978256 /nfs/dbraw/zinc/97/82/56/488978256.db2.gz IZHNLDCLLMEZRG-WMLDXEAASA-N 0 3 359.430 0.660 20 30 FCEDHN C[C@H]1CN(CCCNCCS(=O)(=O)c2ccc(C#N)cn2)C[C@H](C)O1 ZINC000554786414 491225376 /nfs/dbraw/zinc/22/53/76/491225376.db2.gz ISLPSYHBAGEOBT-GJZGRUSLSA-N 0 3 366.487 0.816 20 30 FCEDHN Cc1nnc([C@@H]2CCCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)C2)[nH]1 ZINC000329270469 488987549 /nfs/dbraw/zinc/98/75/49/488987549.db2.gz HCVIOIMONUBIHR-SJORKVTESA-N 0 3 373.505 0.985 20 30 FCEDHN CN(C)C[C@@H]1CN(C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CCO1 ZINC000329328383 488994232 /nfs/dbraw/zinc/99/42/32/488994232.db2.gz XRQZMOAVNJXLJE-ZIAGYGMSSA-N 0 3 374.507 0.119 20 30 FCEDHN CN1CCC[C@@H]1CNC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000329346680 488995764 /nfs/dbraw/zinc/99/57/64/488995764.db2.gz RMKAEWXJDMAUCU-CABCVRRESA-N 0 3 374.507 0.121 20 30 FCEDHN CN(C)[C@@H]1CCCN(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)C1 ZINC000329405650 489001167 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3 361.446 0.331 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccn(CC)n2)[n-]1 ZINC001130242103 1201562388 /nfs/dbraw/zinc/56/23/88/1201562388.db2.gz FNAAFEDSLCLLMP-JSGCOSHPSA-N 0 3 357.418 0.046 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccncn2)[n-]1 ZINC001130244114 1201563661 /nfs/dbraw/zinc/56/36/61/1201563661.db2.gz AENZYNDAFGMESM-JSGCOSHPSA-N 0 3 355.402 0.010 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(CC)nn2C)[n-]1 ZINC001130244319 1201563891 /nfs/dbraw/zinc/56/38/91/1201563891.db2.gz GTWPWCREMRRSPK-ZFWWWQNUSA-N 0 3 371.445 0.126 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccc(C#C)nc2)[n-]1 ZINC001130247034 1201567700 /nfs/dbraw/zinc/56/77/00/1201567700.db2.gz RHHGNRVKDQQRHA-HOTGVXAUSA-N 0 3 364.409 0.206 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C)CCOCC2)[n-]1 ZINC001130246764 1201567793 /nfs/dbraw/zinc/56/77/93/1201567793.db2.gz OYNRWZGIDCNTAH-KBPBESRZSA-N 0 3 361.446 0.333 20 30 FCEDHN 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CC#CCN[C@@H]1CN(C(=O)[C@H]2CCc3nc[nH]c3C2)C[C@H]1c1cn(C)cn1 ZINC001130708331 1202763446 /nfs/dbraw/zinc/76/34/46/1202763446.db2.gz JQRAUANSWGCYNR-YZVOILCLSA-N 0 3 366.469 0.856 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cnc(C)cn3)n[n-]2)O1 ZINC001130752923 1202776215 /nfs/dbraw/zinc/77/62/15/1202776215.db2.gz HYLZCONSQZLUQF-DZGCQCFKSA-N 0 3 369.429 0.666 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cnc(C)cn3)n2)O1 ZINC001130752923 1202776218 /nfs/dbraw/zinc/77/62/18/1202776218.db2.gz HYLZCONSQZLUQF-DZGCQCFKSA-N 0 3 369.429 0.666 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCn3cccn3)n[n-]2)O1 ZINC001130758089 1202780589 /nfs/dbraw/zinc/78/05/89/1202780589.db2.gz PQGDUOZEKFSANP-UONOGXRCSA-N 0 3 357.418 0.151 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)CCn3cccn3)n2)O1 ZINC001130758089 1202780595 /nfs/dbraw/zinc/78/05/95/1202780595.db2.gz PQGDUOZEKFSANP-UONOGXRCSA-N 0 3 357.418 0.151 20 30 FCEDHN 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C#CCO[C@H](C)C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CC#CC)O2)n[n-]1 ZINC001130785555 1202789708 /nfs/dbraw/zinc/78/97/08/1202789708.db2.gz UWSSTKHQVADQBI-QLFBSQMISA-N 0 3 359.430 0.292 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3c(C)ccn3C)n[n-]2)O1 ZINC001130776759 1202790487 /nfs/dbraw/zinc/79/04/87/1202790487.db2.gz KMIJPECTFDOHLC-UONOGXRCSA-N 0 3 356.430 0.825 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3c(C)ccn3C)n2)O1 ZINC001130776759 1202790489 /nfs/dbraw/zinc/79/04/89/1202790489.db2.gz KMIJPECTFDOHLC-UONOGXRCSA-N 0 3 356.430 0.825 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3nn(C)cc3C)n[n-]2)O1 ZINC001130781311 1202793380 /nfs/dbraw/zinc/79/33/80/1202793380.db2.gz YEPOTKMJYHYIMK-QWHCGFSZSA-N 0 3 357.418 0.220 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3nn(C)cc3C)n2)O1 ZINC001130781311 1202793382 /nfs/dbraw/zinc/79/33/82/1202793382.db2.gz YEPOTKMJYHYIMK-QWHCGFSZSA-N 0 3 357.418 0.220 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3(COCC)CC3)n[n-]2)O1 ZINC001130790249 1202798785 /nfs/dbraw/zinc/79/87/85/1202798785.db2.gz PADUUYLKBUEZOY-UONOGXRCSA-N 0 3 361.446 0.681 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)C3(COCC)CC3)n2)O1 ZINC001130790249 1202798789 /nfs/dbraw/zinc/79/87/89/1202798789.db2.gz PADUUYLKBUEZOY-UONOGXRCSA-N 0 3 361.446 0.681 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3(CCOC)CC3)n[n-]2)O1 ZINC001130790380 1202799475 /nfs/dbraw/zinc/79/94/75/1202799475.db2.gz XLILXVQFDHFANW-UONOGXRCSA-N 0 3 361.446 0.681 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)C3(CCOC)CC3)n2)O1 ZINC001130790380 1202799479 /nfs/dbraw/zinc/79/94/79/1202799479.db2.gz XLILXVQFDHFANW-UONOGXRCSA-N 0 3 361.446 0.681 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cncc(C#C)c3)n[n-]2)O1 ZINC001130805372 1202801314 /nfs/dbraw/zinc/80/13/14/1202801314.db2.gz YJMCVMNJMBWITN-JKSUJKDBSA-N 0 3 364.409 0.554 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cncc(C#C)c3)n2)O1 ZINC001130805372 1202801315 /nfs/dbraw/zinc/80/13/15/1202801315.db2.gz YJMCVMNJMBWITN-JKSUJKDBSA-N 0 3 364.409 0.554 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3OCC[C@H]3C)n[n-]2)O1 ZINC001130809186 1202802309 /nfs/dbraw/zinc/80/23/09/1202802309.db2.gz LKSZHEQRCZSBMY-CTASWTNQSA-N 0 3 361.446 0.679 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@H]3OCC[C@H]3C)n2)O1 ZINC001130809186 1202802312 /nfs/dbraw/zinc/80/23/12/1202802312.db2.gz LKSZHEQRCZSBMY-CTASWTNQSA-N 0 3 361.446 0.679 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)c3cncnc3)n[n-]2)O1 ZINC001130802221 1202803475 /nfs/dbraw/zinc/80/34/75/1202803475.db2.gz IWFPCYCWUHROHN-VHDGCEQUSA-N 0 3 369.429 0.458 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@H](C)c3cncnc3)n2)O1 ZINC001130802221 1202803477 /nfs/dbraw/zinc/80/34/77/1202803477.db2.gz IWFPCYCWUHROHN-VHDGCEQUSA-N 0 3 369.429 0.458 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3cc(CC)n(C)n3)n[n-]2)O1 ZINC001130820023 1202809222 /nfs/dbraw/zinc/80/92/22/1202809222.db2.gz KTUCDOGUDCZELJ-DZGCQCFKSA-N 0 3 371.445 0.474 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3cc(CC)n(C)n3)n2)O1 ZINC001130820023 1202809223 /nfs/dbraw/zinc/80/92/23/1202809223.db2.gz KTUCDOGUDCZELJ-DZGCQCFKSA-N 0 3 371.445 0.474 20 30 FCEDHN C#C[C@H](NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1)[C@@H]1CCCO1 ZINC000807297930 1202819475 /nfs/dbraw/zinc/81/94/75/1202819475.db2.gz OQHMRVVWTZYXSH-ROUUACIJSA-N 0 3 369.465 0.499 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1C[C@@H](c2cncn2C)[C@H](NCc2cccnc2)C1 ZINC001130991621 1202837988 /nfs/dbraw/zinc/83/79/88/1202837988.db2.gz UOISINKQEBVBCF-CGTJXYLNSA-N 0 3 367.453 0.938 20 30 FCEDHN CC(C)C#CC(=O)N1C[C@@H](c2cncn2C)[C@H](NCc2cncn2C)C1 ZINC001130991702 1202838390 /nfs/dbraw/zinc/83/83/90/1202838390.db2.gz ZEABVTZSROVLFY-IAGOWNOFSA-N 0 3 354.458 0.897 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2cnn3ncccc23)C[C@H]1c1cncn1C ZINC001131007681 1202842132 /nfs/dbraw/zinc/84/21/32/1202842132.db2.gz GANIWKKNXALAOS-HZPDHXFCSA-N 0 3 363.425 0.684 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)CNC(=O)C2CCCC2)C[C@H]1c1cncn1C ZINC001130998865 1202842435 /nfs/dbraw/zinc/84/24/35/1202842435.db2.gz DPTLSYGKEPYJBX-HZPDHXFCSA-N 0 3 357.458 0.244 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)C2(CC#C)CCOCC2)C[C@H]1c1cncn1C ZINC001131010662 1202844515 /nfs/dbraw/zinc/84/45/15/1202844515.db2.gz XHJRHQCABNKGRF-IAGOWNOFSA-N 0 3 354.454 0.757 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@H]2CCn3cncc3C2)C[C@H]1c1cncn1C ZINC001131019892 1202846549 /nfs/dbraw/zinc/84/65/49/1202846549.db2.gz FUKZSHDNWQDNKG-CGTJXYLNSA-N 0 3 366.469 0.787 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H](C)Cc2cnn(C)c2)C[C@H]1c1cncn1C ZINC001131097040 1202862414 /nfs/dbraw/zinc/86/24/14/1202862414.db2.gz XHNNTLXDDBVCGX-CGTJXYLNSA-N 0 3 368.485 0.940 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1c1cncn1C ZINC001131123971 1202866418 /nfs/dbraw/zinc/86/64/18/1202866418.db2.gz WFWNDKRYSOLCTD-UKRRQHHQSA-N 0 3 354.414 0.068 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)CC[C@@]2(C)CCC(=O)N2)C[C@H]1c1cncn1C ZINC001131136209 1202870806 /nfs/dbraw/zinc/87/08/06/1202870806.db2.gz BHAKCDHREVVGPY-JXXFODFXSA-N 0 3 371.485 0.776 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc[nH]2)CC1 ZINC001131424723 1202894636 /nfs/dbraw/zinc/89/46/36/1202894636.db2.gz QVIIAWIKUNKYGE-QAPCUYQASA-N 0 3 360.458 0.916 20 30 FCEDHN C=CCOCCCC(=O)N1CCC([C@@H]2OCC[C@H]2NCC(=O)NC)CC1 ZINC001131467834 1202900313 /nfs/dbraw/zinc/90/03/13/1202900313.db2.gz SQAFTTXKYYXFPY-APWZRJJASA-N 0 3 367.490 0.701 20 30 FCEDHN C=C(C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2NCC(=O)NC(N)=O)CC1 ZINC001131506800 1202905935 /nfs/dbraw/zinc/90/59/35/1202905935.db2.gz PPRBGYYSQQZFGU-PBHICJAKSA-N 0 3 366.462 0.523 20 30 FCEDHN CC1(C(=O)N2CCC([C@@H]3OCC[C@H]3NCC(=O)NCC#N)CC2)CCC1 ZINC001131541271 1202911969 /nfs/dbraw/zinc/91/19/69/1202911969.db2.gz GOKZTYQBBDWWCB-WBVHZDCISA-N 0 3 362.474 0.802 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC23CC3)CC1 ZINC001131571040 1202915171 /nfs/dbraw/zinc/91/51/71/1202915171.db2.gz YKAXFCWEYFSSHB-JZXOWHBKSA-N 0 3 359.470 0.522 20 30 FCEDHN N#Cc1ccncc1N1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000813631015 1203000827 /nfs/dbraw/zinc/00/08/27/1203000827.db2.gz NIDKTROKFOCLCE-IAGOWNOFSA-N 0 3 370.457 0.648 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCCNCC(=O)N1CCc2ccccc2C1 ZINC001134063758 1203011875 /nfs/dbraw/zinc/01/18/75/1203011875.db2.gz YJFAMZOEXUSSEM-MSOLQXFVSA-N 0 3 357.454 0.868 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NCc2cn(CC)nn2)C1 ZINC001086721009 1203020447 /nfs/dbraw/zinc/02/04/47/1203020447.db2.gz AJVGPGREAKNGPX-JZXOWHBKSA-N 0 3 358.490 0.770 20 30 FCEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCNCC(=O)NC(=O)NCCCC ZINC001135067917 1203040053 /nfs/dbraw/zinc/04/00/53/1203040053.db2.gz RQEAVVOXIMNZIR-HOCLYGCPSA-N 0 3 368.478 0.689 20 30 FCEDHN C#CCNC(=O)CNCCNC(=O)[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC001135099529 1203042371 /nfs/dbraw/zinc/04/23/71/1203042371.db2.gz YYRRHBVIPNSLPA-MJGOQNOKSA-N 0 3 357.454 0.918 20 30 FCEDHN C#CCN(C)CCCNC(=O)C(=O)N1C[C@@H](C(=O)OC)Oc2ccccc21 ZINC000815859446 1203054936 /nfs/dbraw/zinc/05/49/36/1203054936.db2.gz BEMCCPPKVGWHIW-INIZCTEOSA-N 0 3 373.409 0.025 20 30 FCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccn(Cc2ccccc2)n1 ZINC000815860772 1203055265 /nfs/dbraw/zinc/05/52/65/1203055265.db2.gz ZVSRMKRLSRNTBE-UHFFFAOYSA-N 0 3 353.426 0.941 20 30 FCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000815860661 1203055342 /nfs/dbraw/zinc/05/53/42/1203055342.db2.gz VNDSYWYMDZKYPE-UHFFFAOYSA-N 0 3 370.453 0.932 20 30 FCEDHN CN1C[C@@H](C(=O)NC[C@H]2CC[C@@H](NCc3ccccc3C#N)C2)NC1=O ZINC001086777330 1203087608 /nfs/dbraw/zinc/08/76/08/1203087608.db2.gz LVYKCWDXSRJPBL-XKQJLSEDSA-N 0 3 355.442 0.956 20 30 FCEDHN C#Cc1cccc(CNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000817825733 1203122221 /nfs/dbraw/zinc/12/22/21/1203122221.db2.gz PPNZXQJRWKABOS-UHFFFAOYSA-N 0 3 356.470 0.426 20 30 FCEDHN Cc1cc(C#N)nc(N2C[C@@H](O)[C@H](NC(=O)CN(C)CC(C)(C)C)C2)n1 ZINC001090540412 1203208334 /nfs/dbraw/zinc/20/83/34/1203208334.db2.gz WBBLQMBQJJTFOK-HUUCEWRRSA-N 0 3 360.462 0.300 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@H]1c1ccc(OC)cc1 ZINC001090870207 1203321245 /nfs/dbraw/zinc/32/12/45/1203321245.db2.gz BEKJVEFXECBQFN-RBUKOAKNSA-N 0 3 355.438 0.691 20 30 FCEDHN CO[C@@H]1CN(c2ccc(C#N)c(C)n2)C[C@H]1NC(=O)[C@@H](C1CC1)N(C)C ZINC001090922382 1204395088 /nfs/dbraw/zinc/39/50/88/1204395088.db2.gz HNYFLRLVINGHCC-JFIYKMOQSA-N 0 3 357.458 0.922 20 30 FCEDHN CCN(CC)CC(=O)N1CCO[C@@H]2CN(c3ncc(C#N)cc3F)C[C@@H]21 ZINC001091046828 1204458529 /nfs/dbraw/zinc/45/85/29/1204458529.db2.gz OSIUCUYLZIOAPN-JKSUJKDBSA-N 0 3 361.421 0.850 20 30 FCEDHN Cc1nc(N2C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H](O)C2)ccc1C#N ZINC001091185170 1204579505 /nfs/dbraw/zinc/57/95/05/1204579505.db2.gz UYOMFFREXPKOLA-CVEARBPZSA-N 0 3 359.474 0.905 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)C1 ZINC001147742934 1204807765 /nfs/dbraw/zinc/80/77/65/1204807765.db2.gz VHLWGQWEVOUYQH-RBSFLKMASA-N 0 3 357.458 0.738 20 30 FCEDHN C[C@H](C(=O)N1C[C@@H]2C(C(=O)NC3(C#N)CCC3)=NO[C@@H]2C1)N1CCCC1 ZINC001273449350 1204848937 /nfs/dbraw/zinc/84/89/37/1204848937.db2.gz IVAJIRLJNMYTFY-HZSPNIEDSA-N 0 3 359.430 0.246 20 30 FCEDHN C#CCN1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C2)CC1 ZINC001086942044 1204861560 /nfs/dbraw/zinc/86/15/60/1204861560.db2.gz HKXSMCUZTMOUIP-IXDOHACOSA-N 0 3 361.486 0.958 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cc3n(n2)CCCO3)C[C@H]1c1cnn(C)c1 ZINC001086987565 1204881503 /nfs/dbraw/zinc/88/15/03/1204881503.db2.gz ZUGKNKFGYSEVHB-GOEBONIOSA-N 0 3 354.414 0.230 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)CCc2c(C)nn(C)c2C)C[C@H]1c1cnn(C)c1 ZINC001086990216 1204882899 /nfs/dbraw/zinc/88/28/99/1204882899.db2.gz QIAUXJCMLIAEDA-RBUKOAKNSA-N 0 3 368.485 0.920 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)Cc2ccnc(OC)c2)C[C@H]1c1cnn(C)c1 ZINC001086996948 1204887390 /nfs/dbraw/zinc/88/73/90/1204887390.db2.gz CHDGDOOIWZTSEP-DLBZAZTESA-N 0 3 353.426 0.584 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCn3c(C)ncc3C2)C[C@H]1c1cnn(C)c1 ZINC001086997085 1204887759 /nfs/dbraw/zinc/88/77/59/1204887759.db2.gz KARHZXDEWZZFJD-AYOQOUSVSA-N 0 3 366.469 0.705 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C2CC2)C[C@H]1c1cnn(C)c1 ZINC001087000570 1204889423 /nfs/dbraw/zinc/88/94/23/1204889423.db2.gz CJAUGTWABVWWMC-KSZLIROESA-N 0 3 369.469 0.338 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C(=O)N2CCC(C)CC2)C[C@H]1c1cnn(C)c1 ZINC001087000606 1204889586 /nfs/dbraw/zinc/88/95/86/1204889586.db2.gz FMLUAPPBLPOOFN-DLBZAZTESA-N 0 3 359.474 0.749 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@]2(C)CCN(C(C)=O)C2)C[C@H]1c1cnn(C)c1 ZINC001087004936 1204892360 /nfs/dbraw/zinc/89/23/60/1204892360.db2.gz DNGRKIOIBWIRIZ-SCTDSRPQSA-N 0 3 357.458 0.196 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CC)C[C@H]1c1cnn(C)c1 ZINC001087004542 1204892508 /nfs/dbraw/zinc/89/25/08/1204892508.db2.gz 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/nfs/dbraw/zinc/69/43/20/1218694320.db2.gz NUUUTZJKNANYGU-SFHVURJKSA-N 0 3 355.486 0.665 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCc1ccnn1C ZINC001097248191 1218737637 /nfs/dbraw/zinc/73/76/37/1218737637.db2.gz SRAVUDOPWZUMBL-YRXWBPOGSA-N 0 3 355.486 0.782 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@H](C)C(=O)NCC=C)CC1 ZINC001111456628 1218879588 /nfs/dbraw/zinc/87/95/88/1218879588.db2.gz NARNKEXTGPDHCZ-OWYHZJEWSA-N 0 3 372.513 0.744 20 30 FCEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NCCNc1ncccc1C#N ZINC000826977016 1218915457 /nfs/dbraw/zinc/91/54/57/1218915457.db2.gz DBDPGBKSLZGHKS-HNNXBMFYSA-N 0 3 372.473 0.718 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ncc(C)cc1OC ZINC001226838021 1225855759 /nfs/dbraw/zinc/85/57/59/1225855759.db2.gz WDKHPWVPAXIVID-HUUCEWRRSA-N 0 3 358.442 0.779 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cncc(COC)c1 ZINC001226853328 1225856167 /nfs/dbraw/zinc/85/61/67/1225856167.db2.gz KJFHWYQVGGSODC-IAGOWNOFSA-N 0 3 358.442 0.608 20 30 FCEDHN Cc1ccn2ncc(C(=O)N[C@@H]3CCCC[C@H]3NCC(=O)NCC#N)c2c1 ZINC001226896520 1225856874 /nfs/dbraw/zinc/85/68/74/1225856874.db2.gz ALYKVSDRDRCKCD-HZPDHXFCSA-N 0 3 368.441 0.913 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnc2n[nH]cc2c1 ZINC001226993216 1225860300 /nfs/dbraw/zinc/86/03/00/1225860300.db2.gz BGCAFAIBBOHSTG-ZIAGYGMSSA-N 0 3 355.402 0.228 20 30 FCEDHN CN(C)C(=O)CN1CC[C@H]2CN(C(=O)c3ccc(C#N)cn3)C[C@H]2CC1 ZINC001277173127 1225860445 /nfs/dbraw/zinc/86/04/45/1225860445.db2.gz RHDCGPCNQBRQAS-IYBDPMFKSA-N 0 3 355.442 0.825 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1cc(C2CC2)cn1 ZINC001227165137 1225865515 /nfs/dbraw/zinc/86/55/15/1225865515.db2.gz JZYCHCRZLWSFIK-IAGOWNOFSA-N 0 3 357.458 0.527 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cccc(C(N)=O)c1 ZINC001227099409 1225863783 /nfs/dbraw/zinc/86/37/83/1225863783.db2.gz ZVPAVLVFGDEOKR-HZPDHXFCSA-N 0 3 356.426 0.166 20 30 FCEDHN N#Cc1ccc(F)c(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000804058813 1219112393 /nfs/dbraw/zinc/11/23/93/1219112393.db2.gz GHVCCJUTUWXCDH-CABCVRRESA-N 0 3 360.389 0.293 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)Cn2c(C)cc(C)nc2=O)[C@@H](n2ccnn2)C1 ZINC001070062985 1219125983 /nfs/dbraw/zinc/12/59/83/1219125983.db2.gz NCEWBBBYWPDZPG-CVEARBPZSA-N 0 3 371.445 0.069 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1 ZINC001227276200 1225869639 /nfs/dbraw/zinc/86/96/39/1225869639.db2.gz QKJUIVYTSQZPHU-HZPDHXFCSA-N 0 3 358.442 0.944 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)[C@H]2CCc3[nH]cnc3C2)[C@@H](n2ccnn2)C1 ZINC001070071949 1219138787 /nfs/dbraw/zinc/13/87/87/1219138787.db2.gz SKAIVERRAXEJMY-XKQJLSEDSA-N 0 3 355.446 0.724 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)[C@H]2CCc3nc[nH]c3C2)[C@@H](n2ccnn2)C1 ZINC001070071949 1219138789 /nfs/dbraw/zinc/13/87/89/1219138789.db2.gz SKAIVERRAXEJMY-XKQJLSEDSA-N 0 3 355.446 0.724 20 30 FCEDHN CCCCN1CCCC[C@H]1C(=O)N[C@@H]1CN(CC#N)C[C@@H]1n1ccnn1 ZINC001070073316 1219140555 /nfs/dbraw/zinc/14/05/55/1219140555.db2.gz FQIJSQZYSYFCIA-IKGGRYGDSA-N 0 3 359.478 0.798 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)[C@@H]2CCCCN(C)C2=O)[C@@H](n2ccnn2)C1 ZINC001070075131 1219142488 /nfs/dbraw/zinc/14/24/88/1219142488.db2.gz SAQKXTMRKBGNQS-XHSDSOJGSA-N 0 3 360.462 0.454 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(CC=C(C)C)C[C@@H]2n2ccnn2)CC1 ZINC001070102334 1219177731 /nfs/dbraw/zinc/17/77/31/1219177731.db2.gz DGTPNDVVUFMZFS-MOPGFXCFSA-N 0 3 370.501 0.931 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)c2cccc3nnn(C)c32)[C@@H](n2ccnn2)C1 ZINC001070111637 1219186161 /nfs/dbraw/zinc/18/61/61/1219186161.db2.gz SKLRXMIAOBLPJZ-CVEARBPZSA-N 0 3 366.429 0.791 20 30 FCEDHN Cn1nc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)cc1C(F)F ZINC001227483874 1225877033 /nfs/dbraw/zinc/87/70/33/1225877033.db2.gz XQQMJOGQMUUVDH-GHMZBOCLSA-N 0 3 368.388 0.628 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)C3)C[C@@H]1n1ccnn1 ZINC001070201509 1219289976 /nfs/dbraw/zinc/28/99/76/1219289976.db2.gz RIUPKILPNJVYOY-CVEARBPZSA-N 0 3 352.398 0.614 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC(C)C)C2)C[C@@H]1n1ccnn1 ZINC001070206212 1219292493 /nfs/dbraw/zinc/29/24/93/1219292493.db2.gz MYTXGMGDQMHKCA-XHSDSOJGSA-N 0 3 360.462 0.310 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cnc(C(F)(F)F)nc2)C[C@@H]1n1ccnn1 ZINC001070214172 1219297825 /nfs/dbraw/zinc/29/78/25/1219297825.db2.gz IREGVMKUDPRTDT-NEPJUHHUSA-N 0 3 367.335 0.928 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C2(n3cnnn3)CCCCC2)C[C@@H]1n1ccnn1 ZINC001070248080 1219318886 /nfs/dbraw/zinc/31/88/86/1219318886.db2.gz NUOQAJSPDJXCMI-CABCVRRESA-N 0 3 371.449 0.152 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cc(CN3CCCC3)on2)C[C@@H]1n1ccnn1 ZINC001070275625 1219342821 /nfs/dbraw/zinc/34/28/21/1219342821.db2.gz WRSRUHVJKHUWLK-SJORKVTESA-N 0 3 369.429 0.150 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C[C@H]2CCCCN2C(C)=O)C[C@@H]1n1ccnn1 ZINC001070292535 1219353738 /nfs/dbraw/zinc/35/37/38/1219353738.db2.gz SCVDYCPTLQDHEO-ZACQAIPSSA-N 0 3 360.462 0.597 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C[C@@H]2NC(=O)c3ccccc32)C[C@@H]1n1ccnn1 ZINC001070299850 1219358471 /nfs/dbraw/zinc/35/84/71/1219358471.db2.gz IQHARWLOYULMNO-BBWFWOEESA-N 0 3 366.425 0.680 20 30 FCEDHN C#CCOc1ncccc1C(=O)N1C[C@@H](NCC=C)[C@@H](n2ccnn2)C1 ZINC001070313606 1219370255 /nfs/dbraw/zinc/37/02/55/1219370255.db2.gz YYYLFXGVHRWQNA-CVEARBPZSA-N 0 3 352.398 0.526 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc3c(C)nn(C)c3n2)C[C@@H]1n1ccnn1 ZINC001070333606 1219383141 /nfs/dbraw/zinc/38/31/41/1219383141.db2.gz JHBKASIIKHRDPL-CVEARBPZSA-N 0 3 366.429 0.710 20 30 FCEDHN C#CC[NH2+][C@@H]1CN(C(=O)c2[n-]nnc2-c2ccccc2)C[C@@H]1n1ccnn1 ZINC001070334639 1219383849 /nfs/dbraw/zinc/38/38/49/1219383849.db2.gz JFGZHQOMIKOOEI-CABCVRRESA-N 0 3 362.397 0.352 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001227856106 1225888439 /nfs/dbraw/zinc/88/84/39/1225888439.db2.gz PPYHICSKEOCUKS-RBSFLKMASA-N 0 3 366.506 0.856 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnn2cccnc12 ZINC001227878355 1225889409 /nfs/dbraw/zinc/88/94/09/1225889409.db2.gz NYVXOCXYBCJHQU-HUUCEWRRSA-N 0 3 356.430 0.662 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2=COCCO2)CC1 ZINC001070363203 1219397097 /nfs/dbraw/zinc/39/70/97/1219397097.db2.gz BKKULELNLRHYBL-QAPCUYQASA-N 0 3 361.442 0.373 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cc2ccn(C)n2)CC1 ZINC001070371894 1219401827 /nfs/dbraw/zinc/40/18/27/1219401827.db2.gz QOEXUSSJHFAPOX-APWZRJJASA-N 0 3 359.474 0.624 20 30 FCEDHN C=C(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001227917211 1225890799 /nfs/dbraw/zinc/89/07/99/1225890799.db2.gz PWTRTUPBSWMIGW-HUUCEWRRSA-N 0 3 364.490 0.564 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cn2cccc(C)c2=O)C[C@H]1c1cn(C)cn1 ZINC001070493624 1219438185 /nfs/dbraw/zinc/43/81/85/1219438185.db2.gz ZQAZRVPZCZEFPA-DOTOQJQBSA-N 0 3 355.442 0.660 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCn3ccnc3C2)C[C@H]1c1cn(C)cn1 ZINC001070506550 1219444160 /nfs/dbraw/zinc/44/41/60/1219444160.db2.gz GTWHXFCATWJUFR-HLLBOEOZSA-N 0 3 352.442 0.396 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccn(CCOC)n2)C[C@H]1c1cn(C)cn1 ZINC001070510713 1219447154 /nfs/dbraw/zinc/44/71/54/1219447154.db2.gz PCNUCBMHZWSSFM-WMLDXEAASA-N 0 3 358.446 0.647 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2CCc3nncn3CC2)C[C@H]1c1cn(C)cn1 ZINC001070515836 1219448911 /nfs/dbraw/zinc/44/89/11/1219448911.db2.gz VBBKFZIAIVBSFO-HLLBOEOZSA-N 0 3 369.473 0.734 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2CCc3nc(C)nn3C2)C[C@H]1c1cn(C)cn1 ZINC001070516736 1219449564 /nfs/dbraw/zinc/44/95/64/1219449564.db2.gz LLIBVLZZHUCTTF-YQQAZPJKSA-N 0 3 369.473 0.653 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccn3nnnc3c2)C[C@H]1c1cn(C)cn1 ZINC001070520956 1219450811 /nfs/dbraw/zinc/45/08/11/1219450811.db2.gz ONBXQERUBHCBGW-DZGCQCFKSA-N 0 3 352.402 0.242 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cn([C@@H]3CCOC3)nn2)C[C@H]1c1cn(C)cn1 ZINC001070551836 1219465962 /nfs/dbraw/zinc/46/59/62/1219465962.db2.gz NTUGJCHJNQGWPW-IJEWVQPXSA-N 0 3 371.445 0.357 20 30 FCEDHN C=CCN1CC[C@H]([NH2+]C[C@@H]2CC[C@H](c3nc(CNC(C)=O)n[n-]3)O2)C1=O ZINC001070571483 1219474973 /nfs/dbraw/zinc/47/49/73/1219474973.db2.gz DGBOZNLUJVDBIW-MELADBBJSA-N 0 3 362.434 0.037 20 30 FCEDHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001228113882 1225895406 /nfs/dbraw/zinc/89/54/06/1225895406.db2.gz ZLEKYPNJMUBGER-BZUAXINKSA-N 0 3 364.490 0.564 20 30 FCEDHN CC#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n1 ZINC001070588117 1219479581 /nfs/dbraw/zinc/47/95/81/1219479581.db2.gz PVLWXXFLPBXUSR-REISYBLGSA-N 0 3 371.441 0.241 20 30 FCEDHN CC#CCN1CCOC[C@H]1c1nc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n[nH]1 ZINC001070588117 1219479583 /nfs/dbraw/zinc/47/95/83/1219479583.db2.gz PVLWXXFLPBXUSR-REISYBLGSA-N 0 3 371.441 0.241 20 30 FCEDHN CC#CCN1CCOC[C@H]1c1nnc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[nH]1 ZINC001070588117 1219479586 /nfs/dbraw/zinc/47/95/86/1219479586.db2.gz PVLWXXFLPBXUSR-REISYBLGSA-N 0 3 371.441 0.241 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2occ3c2CCOC3)C[C@H]1c1cncn1C ZINC001070672878 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ZINC001215861846 1224021423 /nfs/dbraw/zinc/02/14/23/1224021423.db2.gz QAVPPEFYUKWEDU-QLFBSQMISA-N 0 3 362.478 0.819 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(C)cc3cn[nH]c32)C[C@H]1C ZINC001215920737 1224024747 /nfs/dbraw/zinc/02/47/47/1224024747.db2.gz QMHAFMIQOIELOM-CZUORRHYSA-N 0 3 353.426 0.671 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)Cc2cn3cccc(C)c3n2)C[C@H]1C ZINC001215920418 1224024828 /nfs/dbraw/zinc/02/48/28/1224024828.db2.gz KBZKROZPDNFKNI-NVXWUHKLSA-N 0 3 367.453 0.371 20 30 FCEDHN CC[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1)c1c(C)noc1C ZINC001215930336 1224025482 /nfs/dbraw/zinc/02/54/82/1224025482.db2.gz YKIFHHMMNVDMPW-KCPJHIHWSA-N 0 3 361.446 0.861 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2c(C)nn(CC)c2C)C[C@H]1C ZINC001215952647 1224026699 /nfs/dbraw/zinc/02/66/99/1224026699.db2.gz AISUDEMBBRJGRJ-XNRPHZJLSA-N 0 3 359.474 0.708 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cn2ncc3ccccc32)C[C@H]1C ZINC001215964916 1224027789 /nfs/dbraw/zinc/02/77/89/1224027789.db2.gz NSSBDESFOGKMSL-BFYDXBDKSA-N 0 3 367.453 0.611 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cnc3c(cnn3C)c2)C[C@H]1C ZINC001216064580 1224032606 /nfs/dbraw/zinc/03/26/06/1224032606.db2.gz CRDPEFUIUWRVFM-IUODEOHRSA-N 0 3 356.430 0.321 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)COCc2ccncc2)C[C@H]1C ZINC001216077733 1224033158 /nfs/dbraw/zinc/03/31/58/1224033158.db2.gz NMZZBMJLPMATOH-HLLBOEOZSA-N 0 3 358.442 0.173 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2n[nH]c3c2C[C@@H](C)CC3)C[C@H]1C ZINC001216153348 1224037076 /nfs/dbraw/zinc/03/70/76/1224037076.db2.gz OHKJVQRKGYIKCG-WOSRLPQWSA-N 0 3 357.458 0.334 20 30 FCEDHN C[C@@H]1CN(C(=O)c2n[nH]c3c2C[C@@H](C)CC3)C[C@H]1NCC(=O)NCC#N ZINC001216153864 1224037083 /nfs/dbraw/zinc/03/70/83/1224037083.db2.gz WDBPRIYIAAKFIN-YWPYICTPSA-N 0 3 358.446 0.224 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2n[nH]c3c2C[C@@H](C)CC3)C[C@H]1C ZINC001216153549 1224037163 /nfs/dbraw/zinc/03/71/63/1224037163.db2.gz QQRDCFYZOJCSJV-WOSRLPQWSA-N 0 3 359.474 0.887 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(-n3ccnc3)ccn2)C[C@H]1C ZINC001216185523 1224038058 /nfs/dbraw/zinc/03/80/58/1224038058.db2.gz WUBRPLYKVZMNBI-RHSMWYFYSA-N 0 3 368.441 0.620 20 30 FCEDHN C=CCN1CC[C@H](N[C@@H]2CN(C(=O)CC(=O)NCC3CC3)C[C@H]2C)C1=O ZINC001216295802 1224042979 /nfs/dbraw/zinc/04/29/79/1224042979.db2.gz YYBFPGIZSQBISO-VNQPRFMTSA-N 0 3 362.474 0.126 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cc2cccc(COC)c2)C[C@H]1C ZINC001216356897 1224045766 /nfs/dbraw/zinc/04/57/66/1224045766.db2.gz KJDOEAAXYHVWPT-JTDSTZFVSA-N 0 3 371.481 0.950 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(-n3ccnn3)cc2)C[C@H]1C ZINC001216361737 1224046574 /nfs/dbraw/zinc/04/65/74/1224046574.db2.gz KCHYQOZAUFFENE-RHSMWYFYSA-N 0 3 366.425 0.067 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2c3c(nn2C)CCC3)C[C@H]1C ZINC001216370324 1224046982 /nfs/dbraw/zinc/04/69/82/1224046982.db2.gz PVTVLSKWAYWAKG-DVOMOZLQSA-N 0 3 357.458 0.097 20 30 FCEDHN C[C@@H]1CN(C(=O)[C@@]2(C)CCOc3ccccc32)C[C@H]1NCC(=O)NCC#N ZINC001216404849 1224049253 /nfs/dbraw/zinc/04/92/53/1224049253.db2.gz FGMRQVYDGPXKJP-KKVAFCGZSA-N 0 3 370.453 0.803 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(C(=O)N(C)C)cc2)C[C@H]1C ZINC001216421174 1224049750 /nfs/dbraw/zinc/04/97/50/1224049750.db2.gz BBDRTFLMZGBTCH-RHSMWYFYSA-N 0 3 370.453 0.188 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC[C@H]3CCCO3)C2)cn1 ZINC001216448138 1224051530 /nfs/dbraw/zinc/05/15/30/1224051530.db2.gz HGIFIJOKSLPYBB-ZTFGCOKTSA-N 0 3 370.453 0.408 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC(=O)NC3CC3)C2)cn1 ZINC001216448168 1224051691 /nfs/dbraw/zinc/05/16/91/1224051691.db2.gz JFOWMKKHXNBGLK-MLGOLLRUSA-N 0 3 369.425 0.101 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC[C@H]3CCOC3)C2)nc1 ZINC001216451653 1224052196 /nfs/dbraw/zinc/05/21/96/1224052196.db2.gz BQKNESMBUACFSH-QGPMSJSTSA-N 0 3 370.453 0.266 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccc(N(C)C)cc2)C[C@H]1C ZINC001216550996 1224055439 /nfs/dbraw/zinc/05/54/39/1224055439.db2.gz IQDPVNDPFALAKK-RVKKMQEKSA-N 0 3 356.470 0.941 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)COCc2cccnc2)C[C@H]1C ZINC001216576754 1224056271 /nfs/dbraw/zinc/05/62/71/1224056271.db2.gz KZRZJQMJFHSUDZ-BFYDXBDKSA-N 0 3 360.458 0.725 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnc(C)nc2C2CC2)C[C@H]1C ZINC001216630666 1224059267 /nfs/dbraw/zinc/05/92/67/1224059267.db2.gz LVBCVKIUMMSPOD-PBFPGSCMSA-N 0 3 369.469 0.850 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnc(C)nc2C2CC2)C[C@H]1C ZINC001216630665 1224059402 /nfs/dbraw/zinc/05/94/02/1224059402.db2.gz LVBCVKIUMMSPOD-IIYDPXPESA-N 0 3 369.469 0.850 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CN2CCCCCC2=O)C[C@H]1C ZINC001216712150 1224063607 /nfs/dbraw/zinc/06/36/07/1224063607.db2.gz GKLJOMNVCFMTSP-BZUAXINKSA-N 0 3 364.490 0.516 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCc2c(C)noc2C)C[C@H]1C ZINC001216727331 1224065446 /nfs/dbraw/zinc/06/54/46/1224065446.db2.gz AOUHAUIIHTXBLB-HACGYAERSA-N 0 3 360.458 0.798 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCc2c(C)n[nH]c2C)C[C@H]1C ZINC001216730945 1224066098 /nfs/dbraw/zinc/06/60/98/1224066098.db2.gz DVDRHRKFIYUASX-ISTRZQFTSA-N 0 3 359.474 0.534 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)COc2ccccc2OC)C[C@H]1C ZINC001216740058 1224066620 /nfs/dbraw/zinc/06/66/20/1224066620.db2.gz ZJGAKYUDVLVHLM-HUUCEWRRSA-N 0 3 359.426 0.260 20 30 FCEDHN C[C@@H]1CN(C(=O)c2ccc3c(c2)OCCO3)C[C@H]1NCC(=O)NCC#N ZINC001216738807 1224066974 /nfs/dbraw/zinc/06/69/74/1224066974.db2.gz ZLXGWVYAJMIKCP-TZMCWYRMSA-N 0 3 358.398 0.148 20 30 FCEDHN Cc1cc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)nn1C(C)(C)C ZINC001216761152 1224070103 /nfs/dbraw/zinc/07/01/03/1224070103.db2.gz OTPNQRZAAMRNSZ-IUODEOHRSA-N 0 3 360.462 0.636 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)CCOCc2ccccc2)C[C@H]1C ZINC001216781816 1224071734 /nfs/dbraw/zinc/07/17/34/1224071734.db2.gz 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C#CCNC(=O)CN[C@@H]1CN(C(=O)Cc2cc3ccccc3n2C)C[C@H]1C ZINC001216877418 1224080170 /nfs/dbraw/zinc/08/01/70/1224080170.db2.gz NEUOYSBESGVQLW-CRAIPNDOSA-N 0 3 366.465 0.907 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ccc(N(C)C)cn2)C[C@H]1C ZINC001216868897 1224080409 /nfs/dbraw/zinc/08/04/09/1224080409.db2.gz JSAFFJAXMXKZIK-CKEIUWERSA-N 0 3 359.474 0.888 20 30 FCEDHN C=CCCOCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCc2cccnc2)C1 ZINC001216913454 1224081051 /nfs/dbraw/zinc/08/10/51/1224081051.db2.gz ORIFPFDYTYQFKX-NVXWUHKLSA-N 0 3 360.458 0.727 20 30 FCEDHN C=CCCOCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC001216936656 1224081937 /nfs/dbraw/zinc/08/19/37/1224081937.db2.gz SBBWMYRZHKLPGY-UMVBOHGHSA-N 0 3 366.462 0.392 20 30 FCEDHN CC(=O)Nc1ccc(C)c(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)c1 ZINC001217092703 1224088927 /nfs/dbraw/zinc/08/89/27/1224088927.db2.gz HAEHSJNSCRBXPG-CXAGYDPISA-N 0 3 371.441 0.643 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2[nH]cnc2C)C[C@H]1C ZINC001217100002 1224089506 /nfs/dbraw/zinc/08/95/06/1224089506.db2.gz SPFGEJRAGUTAKI-RAIGVLPGSA-N 0 3 362.434 0.169 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cccc3nnn(C)c32)C[C@H]1C ZINC001217123897 1224090339 /nfs/dbraw/zinc/09/03/39/1224090339.db2.gz NROUXZUXRROCCY-IUODEOHRSA-N 0 3 356.430 0.321 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cccc3nnn(C)c32)C[C@H]1C ZINC001217123981 1224090479 /nfs/dbraw/zinc/09/04/79/1224090479.db2.gz QWNYYYZQDCKAFS-XJKCOSOUSA-N 0 3 368.441 0.156 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(C)=O)C[C@H]2c2cn(C)cn2)CC1 ZINC000993506371 1249603305 /nfs/dbraw/zinc/60/33/05/1249603305.db2.gz VXJJEMCKJCTJNV-FUHWJXTLSA-N 0 3 357.458 0.196 20 30 FCEDHN C#CCN1CCC(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C2)CC1 ZINC000993851297 1250023301 /nfs/dbraw/zinc/02/33/01/1250023301.db2.gz CYOLEJGXDKLLLF-ZWKOTPCHSA-N 0 3 369.469 0.196 20 30 FCEDHN C#CCN1CCC(C(=O)NC2CN(C(=O)[C@H]3OCC[C@H]3C(C)C)C2)CC1 ZINC000993862082 1250031569 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/nfs/dbraw/zinc/14/41/48/1259144148.db2.gz BFQQGPLZBUJRNS-IEBWSBKVSA-N 0 3 359.474 0.758 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NCCNCC(=O)NC(=O)NC1CCCC1 ZINC001127604959 1259183580 /nfs/dbraw/zinc/18/35/80/1259183580.db2.gz OVVNYZRIWOVALZ-CABCVRRESA-N 0 3 366.462 0.442 20 30 FCEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001128821372 1259240050 /nfs/dbraw/zinc/24/00/50/1259240050.db2.gz SGGAODJJRHTLSX-OAGGEKHMSA-N 0 3 360.462 0.645 20 30 FCEDHN CCCCCCCN1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001128821027 1259241226 /nfs/dbraw/zinc/24/12/26/1259241226.db2.gz MLJAVZLPWWXXRA-OAGGEKHMSA-N 0 3 362.478 0.869 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(CCCCCOC)C[C@@H]1n1ccnn1 ZINC001128929108 1259265569 /nfs/dbraw/zinc/26/55/69/1259265569.db2.gz BPVWLRHLQTWGFX-SOLBZPMBSA-N 0 3 365.478 0.763 20 30 FCEDHN C=CCOCCN1C[C@@H](NC(=O)CCc2cnc[nH]2)[C@@H](n2ccnn2)C1 ZINC001129049280 1259299293 /nfs/dbraw/zinc/29/92/93/1259299293.db2.gz VRXKHLXWCRCBDH-CVEARBPZSA-N 0 3 359.434 0.178 20 30 FCEDHN C=CCC[C@@H](C)N1C[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](n2ccnn2)C1 ZINC001129093203 1259310247 /nfs/dbraw/zinc/31/02/47/1259310247.db2.gz BROLNDCBBWSFLE-UPJWGTAASA-N 0 3 370.404 0.356 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)CCc2nc(C)no2)[C@@H](n2ccnn2)C1 ZINC001129144731 1259329008 /nfs/dbraw/zinc/32/90/08/1259329008.db2.gz RNZFWQADOKWFDH-CABCVRRESA-N 0 3 359.434 0.910 20 30 FCEDHN C=CCCO[C@@H](C)C(=O)N1CC[C@H]2CN(CCOCCNC(C)=O)C[C@H]21 ZINC001187226369 1259399247 /nfs/dbraw/zinc/39/92/47/1259399247.db2.gz UMMNZFKWPRJRDI-RYQLBKOJSA-N 0 3 367.490 0.653 20 30 FCEDHN C#CCNC[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)CCCO1 ZINC001200722146 1259418645 /nfs/dbraw/zinc/41/86/45/1259418645.db2.gz UQLUSJWFFLZBCT-KURKYZTESA-N 0 3 360.458 0.728 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1c1ccccc1 ZINC001211680212 1259427277 /nfs/dbraw/zinc/42/72/77/1259427277.db2.gz LPKNXYLERCPVNY-ZWKOTPCHSA-N 0 3 365.437 0.286 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2cnoc2CC)C[C@H]1C ZINC001215719689 1259536660 /nfs/dbraw/zinc/53/66/60/1259536660.db2.gz RMZCGVGOWLIRBL-DGCLKSJQSA-N 0 3 363.418 0.299 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cn3ccccc3n2)C[C@H]1C ZINC001216666819 1259538189 /nfs/dbraw/zinc/53/81/89/1259538189.db2.gz NBUPCEUSVZJOOJ-QLFBSQMISA-N 0 3 353.426 0.522 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CNC(=O)c2ccco2)C[C@H]1C ZINC001216671574 1259538449 /nfs/dbraw/zinc/53/84/49/1259538449.db2.gz PCMVMMAJLOBGPZ-HZSPNIEDSA-N 0 3 362.430 0.137 20 30 FCEDHN C=CCN1C(=O)CCC12CCN(C[C@@H]1O[C@H]3OC(C)(C)O[C@H]3[C@@H]1O)CC2 ZINC001235521726 1259574661 /nfs/dbraw/zinc/57/46/61/1259574661.db2.gz WBOHXJKUBYISHJ-ORQFMDKSSA-N 0 3 366.458 0.867 20 30 FCEDHN C#CCOC[C@H](O)CN1CCN2C[C@@H](OCc3cccc(C)n3)C[C@H]2C1 ZINC001251839420 1259762866 /nfs/dbraw/zinc/76/28/66/1259762866.db2.gz GDDXZJBYPJHJIN-ZCNNSNEGSA-N 0 3 359.470 0.676 20 30 FCEDHN C#CCOC[C@H](O)CN1CCC(NC(=O)c2cccc(C(=O)OC)c2)CC1 ZINC001251832519 1259763028 /nfs/dbraw/zinc/76/30/28/1259763028.db2.gz LPEWGCSFLARTET-GOSISDBHSA-N 0 3 374.437 0.678 20 30 FCEDHN C#CCOC[C@@H](O)CN1C[C@@H](N(C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001251840955 1259764416 /nfs/dbraw/zinc/76/44/16/1259764416.db2.gz XOYFKFGZIMPQHG-NMLBUPMWSA-N 0 3 359.470 0.756 20 30 FCEDHN C#CCOC[C@@H](O)CN1CC[C@@H]2CN(C(=O)c3ccco3)CCO[C@@H]2C1 ZINC001251844655 1259766528 /nfs/dbraw/zinc/76/65/28/1259766528.db2.gz VGNLMDHQRBGNKT-SOLBZPMBSA-N 0 3 362.426 0.453 20 30 FCEDHN C=CCOC[C@H](O)CNCC(=O)NC[C@@H](O)c1cc(OC)ccc1OC ZINC001252488907 1259791683 /nfs/dbraw/zinc/79/16/83/1259791683.db2.gz VOTURSVBDYKQBT-CZUORRHYSA-N 0 3 368.430 0.007 20 30 FCEDHN C=CCOC[C@@H](O)CNCC(=O)NC[C@H](O)c1cc(OC)ccc1OC ZINC001252488905 1259791869 /nfs/dbraw/zinc/79/18/69/1259791869.db2.gz VOTURSVBDYKQBT-BBRMVZONSA-N 0 3 368.430 0.007 20 30 FCEDHN C=CCOC[C@@H](O)CN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C(=O)OC)C1 ZINC001252473919 1259792121 /nfs/dbraw/zinc/79/21/21/1259792121.db2.gz SGMKCGFZVUCWBA-KKUMJFAQSA-N 0 3 372.462 0.938 20 30 FCEDHN C=CCOC[C@H](O)CN1CCCn2c(=O)cc(CN3CCCC3)nc2C1 ZINC001252467076 1259792281 /nfs/dbraw/zinc/79/22/81/1259792281.db2.gz VMUFEAGAPBQZPM-QGZVFWFLSA-N 0 3 362.474 0.608 20 30 FCEDHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC001336172147 1260023178 /nfs/dbraw/zinc/02/31/78/1260023178.db2.gz WDZSDQQSXBSRRJ-DOTOQJQBSA-N 0 3 361.490 0.422 20 30 FCEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001261131188 1260080724 /nfs/dbraw/zinc/08/07/24/1260080724.db2.gz BGJFIDOCEAXJEH-HUUCEWRRSA-N 0 3 358.442 0.876 20 30 FCEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001261131188 1260080733 /nfs/dbraw/zinc/08/07/33/1260080733.db2.gz BGJFIDOCEAXJEH-HUUCEWRRSA-N 0 3 358.442 0.876 20 30 FCEDHN C=C(C)CN1CC2(CN(C(=O)CCCN3CCN(C)CC3)C2)OCC1=O ZINC001272635847 1260469338 /nfs/dbraw/zinc/46/93/38/1260469338.db2.gz WYGMXVGIPGCPRC-UHFFFAOYSA-N 0 3 364.490 0.030 20 30 FCEDHN C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001337994553 1260532525 /nfs/dbraw/zinc/53/25/25/1260532525.db2.gz BZJLGHQZNKNJIW-GJZGRUSLSA-N 0 3 360.462 0.226 20 30 FCEDHN C=CCOC[C@@H](O)CN1CCC[C@]12CCN(Cc1cc(C)nn1C)C2=O ZINC001277779340 1260670188 /nfs/dbraw/zinc/67/01/88/1260670188.db2.gz ZOOJYPCNZPPZHI-PKOBYXMFSA-N 0 3 362.474 0.859 20 30 FCEDHN C#CCCCN1CCn2c(nnc2C(=O)NCc2noc(C)n2)C[C@H]1C ZINC001279749889 1260927868 /nfs/dbraw/zinc/92/78/68/1260927868.db2.gz MKMQXZUVGZVIEI-GFCCVEGCSA-N 0 3 357.418 0.560 20 30 FCEDHN C[C@@H](O)CN1CCN(Cc2cc(C#N)n(C)c2)C[C@@]2(CCCC(=O)N2)C1 ZINC001280189433 1261025996 /nfs/dbraw/zinc/02/59/96/1261025996.db2.gz SHOQJQAZZHBYFV-DNVCBOLYSA-N 0 3 359.474 0.434 20 30 FCEDHN CCc1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCN(CC)CC1 ZINC001306217158 1263181438 /nfs/dbraw/zinc/18/14/38/1263181438.db2.gz VGTNEVCHGWXAHL-MRXNPFEDSA-N 0 3 361.494 0.597 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001317057939 1263500174 /nfs/dbraw/zinc/50/01/74/1263500174.db2.gz NZHZENAGHRVNJU-HRCADAONSA-N 0 3 371.441 0.387 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC001321584578 1264001925 /nfs/dbraw/zinc/00/19/25/1264001925.db2.gz NTNYLHOVABGVND-IRXDYDNUSA-N 0 3 366.506 0.228 20 30 FCEDHN C[C@H](CC#N)NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC001321655491 1264024613 /nfs/dbraw/zinc/02/46/13/1264024613.db2.gz BFWVXEJKSKZORD-CYBMUJFWSA-N 0 3 371.441 0.741 20 30 FCEDHN CN1CCN(CCNC(=O)CCNC(=O)C2N=CC=CC2=O)CC1(C)C ZINC001321679755 1264033380 /nfs/dbraw/zinc/03/33/80/1264033380.db2.gz MOYRRRRLJZOQDJ-MSUUIHNZSA-N 0 3 363.462 0.045 20 30 FCEDHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCC#Cc2ccccc2)CC1 ZINC001321973832 1264116126 /nfs/dbraw/zinc/11/61/26/1264116126.db2.gz YELUOOCDUMUSKR-GOSISDBHSA-N 0 3 370.497 0.544 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H]2COc3cc(OC)ccc3C2)CC1 ZINC001322542731 1264215001 /nfs/dbraw/zinc/21/50/01/1264215001.db2.gz IMFZYDPYKDAPDE-INIZCTEOSA-N 0 3 373.453 0.882 20 30 FCEDHN CN(C(=O)NCC(=O)NCC#N)C1CCN(CCc2ccccn2)CC1 ZINC001323853724 1264529857 /nfs/dbraw/zinc/52/98/57/1264529857.db2.gz LFAMJBODOKRUPV-UHFFFAOYSA-N 0 3 358.446 0.370 20 30 FCEDHN Cc1cc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)n(CCC#N)n1 ZINC001324219985 1264598767 /nfs/dbraw/zinc/59/87/67/1264598767.db2.gz PIWQLTLSOJMXIZ-KGLIPLIRSA-N 0 3 360.418 0.023 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC001325198727 1264806480 /nfs/dbraw/zinc/80/64/80/1264806480.db2.gz GQKDAEQKOXSGQJ-MRXNPFEDSA-N 0 3 370.453 0.675 20 30 FCEDHN N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCCN(CCCO)C3)CC2=O)cc1 ZINC001325232525 1264818225 /nfs/dbraw/zinc/81/82/25/1264818225.db2.gz RPDVNHNTRWFULE-DLBZAZTESA-N 0 3 370.453 0.874 20 30 FCEDHN C[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001580407519 1278245548 /nfs/dbraw/zinc/24/55/48/1278245548.db2.gz KKHLEVIHJLLZEU-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001580407519 1278245557 /nfs/dbraw/zinc/24/55/57/1278245557.db2.gz KKHLEVIHJLLZEU-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN Cc1cc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)ncc1C#N ZINC001327619070 1265375017 /nfs/dbraw/zinc/37/50/17/1265375017.db2.gz KLBBVPOVXFZWBS-CYBMUJFWSA-N 0 3 358.446 0.200 20 30 FCEDHN CN1CCC(N(CCO)C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 ZINC001333382270 1266588290 /nfs/dbraw/zinc/58/82/90/1266588290.db2.gz CDTMJONJKMHSDO-MRXNPFEDSA-N 0 3 370.453 0.826 20 30 FCEDHN C#CCN1CCN(c2nnc(-c3[nH]cnc3C)n2C[C@H]2CCOC2)CC1 ZINC001526088861 1266782891 /nfs/dbraw/zinc/78/28/91/1266782891.db2.gz QAOCMZLDTBYFHB-OAHLLOKOSA-N 0 3 355.446 0.768 20 30 FCEDHN C#CCN(C)CCCNC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC001334986556 1267262099 /nfs/dbraw/zinc/26/20/99/1267262099.db2.gz BDTXXNZSQDAGRU-CYBMUJFWSA-N 0 3 353.448 0.319 20 30 FCEDHN C=CCn1c(-c2cc(=O)[nH]c(=O)[nH]2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001338963805 1268131592 /nfs/dbraw/zinc/13/15/92/1268131592.db2.gz QYCVNUWTRSZQRR-NEPJUHHUSA-N 0 3 359.434 0.812 20 30 FCEDHN C=CCn1c(Cc2nnc(C)[nH]2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001339022337 1268152442 /nfs/dbraw/zinc/15/24/42/1268152442.db2.gz OATXDAZYKWEAPE-HNNXBMFYSA-N 0 3 372.477 0.640 20 30 FCEDHN C=CCn1c(C[N+](=O)[O-])nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001339037070 1268154636 /nfs/dbraw/zinc/15/46/36/1268154636.db2.gz MMJMHFNRJZQLEX-CYBMUJFWSA-N 0 3 350.423 0.930 20 30 FCEDHN C=CCn1c(-c2cn(CCO)nn2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001339138332 1268174661 /nfs/dbraw/zinc/17/46/61/1268174661.db2.gz VTRLVDFXHMOIML-KGLIPLIRSA-N 0 3 360.466 0.634 20 30 FCEDHN C=CCn1c(CCCS(N)(=O)=O)nnc1N1CCN([C@@H](C)CC)CC1 ZINC001339621669 1268285202 /nfs/dbraw/zinc/28/52/02/1268285202.db2.gz IMBKIHVDWBYQTQ-AWEZNQCLSA-N 0 3 370.523 0.606 20 30 FCEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C)C1=O)C(C)C ZINC001340557510 1268585686 /nfs/dbraw/zinc/58/56/86/1268585686.db2.gz QPIYVDFOYREWQL-GJZGRUSLSA-N 0 3 350.463 0.148 20 30 FCEDHN C=CCn1c(Cn2cc(CCO)nn2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001340783635 1268654217 /nfs/dbraw/zinc/65/42/17/1268654217.db2.gz RTDBCWSINJKLQJ-CABCVRRESA-N 0 3 374.493 0.558 20 30 FCEDHN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC001341181701 1268841076 /nfs/dbraw/zinc/84/10/76/1268841076.db2.gz KHCFRLJCQLPYQF-RYRKJORJSA-N 0 3 368.437 0.641 20 30 FCEDHN C=CCCC[C@H](N)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001341718833 1269168363 /nfs/dbraw/zinc/16/83/63/1269168363.db2.gz NUHKNJJWUJKPOT-GJZGRUSLSA-N 0 3 359.492 0.323 20 30 FCEDHN C=CCn1c(C[N+](=O)[O-])nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001342358884 1269442569 /nfs/dbraw/zinc/44/25/69/1269442569.db2.gz MMJMHFNRJZQLEX-ZDUSSCGKSA-N 0 3 350.423 0.930 20 30 FCEDHN COCCCNC(=O)C(C#N)C(=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC001342597010 1269531928 /nfs/dbraw/zinc/53/19/28/1269531928.db2.gz GDKHBAIRICANDB-KBPBESRZSA-N 0 3 364.423 0.809 20 30 FCEDHN C=CCCC[C@@H](N)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC001343560978 1269947014 /nfs/dbraw/zinc/94/70/14/1269947014.db2.gz PBIFSHRKAICUQA-MRXNPFEDSA-N 0 3 374.489 0.645 20 30 FCEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(=O)NCC(=O)NCc1ccccc1 ZINC001574851674 1271600252 /nfs/dbraw/zinc/60/02/52/1271600252.db2.gz JICIMDYCKLVCDD-CYBMUJFWSA-N 0 3 352.822 0.005 20 30 FCEDHN C=CCCC[C@@H](N)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC001574903502 1271666941 /nfs/dbraw/zinc/66/69/41/1271666941.db2.gz SUKHUPNMEDXURP-CQSZACIVSA-N 0 3 356.448 0.332 20 30 FCEDHN C#CCN(C(=O)c1ccc(=O)[nH]c1)C1CCN(CCc2cn[nH]n2)CC1 ZINC001574928382 1271680256 /nfs/dbraw/zinc/68/02/56/1271680256.db2.gz LFQGDAILBBXPSO-UHFFFAOYSA-N 0 3 354.414 0.688 20 30 FCEDHN C=CCn1c(-c2ccccc2)nnc1N1C[C@@H]2[C@H](N)CS(=O)(=O)[C@@H]2C1 ZINC001574952584 1271684081 /nfs/dbraw/zinc/68/40/81/1271684081.db2.gz TWZZRAXNYYYKDL-RBSFLKMASA-N 0 3 359.455 0.692 20 30 FCEDHN C#CCNC(=O)CN1CCCCC[C@H]1CNC(=O)CCCc1cn[nH]n1 ZINC001575005218 1271691473 /nfs/dbraw/zinc/69/14/73/1271691473.db2.gz XJFZMTSYTLPKTE-INIZCTEOSA-N 0 3 360.462 0.238 20 30 FCEDHN C#CCNC(=O)CN1CCCCC[C@H]1CNC(=O)CCCc1c[nH]nn1 ZINC001575005218 1271691477 /nfs/dbraw/zinc/69/14/77/1271691477.db2.gz XJFZMTSYTLPKTE-INIZCTEOSA-N 0 3 360.462 0.238 20 30 FCEDHN C=C(C)CCN1CCO[C@@H](CNC(=O)[C@@H]2CCCN2Cc2c[nH]nn2)C1 ZINC001575048720 1271700545 /nfs/dbraw/zinc/70/05/45/1271700545.db2.gz QFUWQGCCMWKWGX-IRXDYDNUSA-N 0 3 362.478 0.552 20 30 FCEDHN C=CCCC(=O)N1C[C@H]2CN([C@H](C)C(=O)NCc3c[nH]nn3)C[C@@]2(C)C1 ZINC001575085797 1271713922 /nfs/dbraw/zinc/71/39/22/1271713922.db2.gz NUHFLOZOMZDAOQ-LBTNJELSSA-N 0 3 360.462 0.556 20 30 FCEDHN C=CCNC(=O)[C@H](C)N1CCC(N(C)C(=O)CCCc2cn[nH]n2)CC1 ZINC001575103480 1271718586 /nfs/dbraw/zinc/71/85/86/1271718586.db2.gz DLTGZDCXGGVVIE-AWEZNQCLSA-N 0 3 362.478 0.741 20 30 FCEDHN C=CCNC(=O)[C@H](C)N1CCC(N(C)C(=O)CCCc2c[nH]nn2)CC1 ZINC001575103480 1271718593 /nfs/dbraw/zinc/71/85/93/1271718593.db2.gz DLTGZDCXGGVVIE-AWEZNQCLSA-N 0 3 362.478 0.741 20 30 FCEDHN C=CCNC(=O)NC(C)(C)C(=O)NC[C@@H]1CCCN1CCc1cn[nH]n1 ZINC001575108030 1271721142 /nfs/dbraw/zinc/72/11/42/1271721142.db2.gz DJIZMUCLDNMEIE-AWEZNQCLSA-N 0 3 363.466 0.192 20 30 FCEDHN CC#CCN1CCC(N(Cc2cn[nH]n2)C(=O)CCc2nc(C)no2)CC1 ZINC001575122915 1271733877 /nfs/dbraw/zinc/73/38/77/1271733877.db2.gz NBWYJNPIRRWABR-UHFFFAOYSA-N 0 3 371.445 0.945 20 30 FCEDHN CC(C)(C)C#CC(=O)N1CC2(C1)CCN(CC(=O)NCc1c[nH]nn1)CC2 ZINC001575245183 1271849537 /nfs/dbraw/zinc/84/95/37/1271849537.db2.gz BUSJDCXYNPDYOJ-UHFFFAOYSA-N 0 3 372.473 0.395 20 30 FCEDHN CCN(CCC#N)C(=O)CNCCNC(=O)c1ccc(-c2c[nH]nn2)cc1 ZINC001576521414 1273406925 /nfs/dbraw/zinc/40/69/25/1273406925.db2.gz AHHOYURHJYIZCB-UHFFFAOYSA-N 0 3 369.429 0.553 20 30 FCEDHN CCCN(C)C(=O)[C@H]1CSCN1C(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC001577495526 1274452305 /nfs/dbraw/zinc/45/23/05/1274452305.db2.gz NXYJDKZLRXVCEZ-YRTQGLMCSA-N 0 3 350.488 0.896 20 30 FCEDHN N#Cc1cc(C(=O)N2CC[C@@H](N3CCN(CCc4c[nH]nn4)CC3)C2)c[nH]1 ZINC001577712367 1274773660 /nfs/dbraw/zinc/77/36/60/1274773660.db2.gz KLFGEDXWBCAVNG-QGZVFWFLSA-N 0 3 368.445 0.079 20 30 FCEDHN CN(C)S(=O)(=O)C[C@@H](NC(=O)[C@H](N)CCCCC#N)C(F)(F)F ZINC001578420714 1275790108 /nfs/dbraw/zinc/79/01/08/1275790108.db2.gz UBCFKJCTIIBVAF-NXEZZACHSA-N 0 3 358.386 0.336 20 30 FCEDHN CN(c1cnc(-c2nnn[n-]2)c(C#N)n1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001579349825 1277205356 /nfs/dbraw/zinc/20/53/56/1277205356.db2.gz TZYWGEOWKYDSJN-CYBMUJFWSA-N 0 3 368.449 0.133 20 30 FCEDHN CN(c1cnc(-c2nnn[n-]2)c(C#N)n1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001579349825 1277205359 /nfs/dbraw/zinc/20/53/59/1277205359.db2.gz TZYWGEOWKYDSJN-CYBMUJFWSA-N 0 3 368.449 0.133 20 30 FCEDHN COCC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001579618443 1277664500 /nfs/dbraw/zinc/66/45/00/1277664500.db2.gz KLLMIGYCZCSVHV-JSGCOSHPSA-N 0 3 357.418 0.333 20 30 FCEDHN COCC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001579618443 1277664506 /nfs/dbraw/zinc/66/45/06/1277664506.db2.gz KLLMIGYCZCSVHV-JSGCOSHPSA-N 0 3 357.418 0.333 20 30 FCEDHN COCC#CC[N@H+]1C[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](C)C1 ZINC001579618786 1277664811 /nfs/dbraw/zinc/66/48/11/1277664811.db2.gz NGHOEJBNGIMUDN-TZMCWYRMSA-N 0 3 357.418 0.142 20 30 FCEDHN COCC#CC[N@@H+]1C[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](C)C1 ZINC001579618786 1277664821 /nfs/dbraw/zinc/66/48/21/1277664821.db2.gz NGHOEJBNGIMUDN-TZMCWYRMSA-N 0 3 357.418 0.142 20 30 FCEDHN C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001580276781 1278071625 /nfs/dbraw/zinc/07/16/25/1278071625.db2.gz MDTPWOMNHHTFBL-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001580276781 1278071631 /nfs/dbraw/zinc/07/16/31/1278071631.db2.gz MDTPWOMNHHTFBL-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN C#CCCCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001588337166 1282431339 /nfs/dbraw/zinc/43/13/39/1282431339.db2.gz ZBSATOCXMLZERN-HNNXBMFYSA-N 0 3 374.420 0.718 20 30 FCEDHN C#CCCCC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001588337166 1282431342 /nfs/dbraw/zinc/43/13/42/1282431342.db2.gz ZBSATOCXMLZERN-HNNXBMFYSA-N 0 3 374.420 0.718 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001588351514 1282446884 /nfs/dbraw/zinc/44/68/84/1282446884.db2.gz XQKGRGPKEOAYKG-BBRMVZONSA-N 0 3 366.429 0.054 20 30 FCEDHN C#CCNC(=O)CC[NH+]1CCC(Oc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001588354329 1282449391 /nfs/dbraw/zinc/44/93/91/1282449391.db2.gz KWQNFTXDUHVJBB-UHFFFAOYSA-N 0 3 372.404 0.989 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001588354817 1282450084 /nfs/dbraw/zinc/45/00/84/1282450084.db2.gz ABTRCMDLROJZMS-CXAGYDPISA-N 0 3 368.441 0.889 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001588354817 1282450092 /nfs/dbraw/zinc/45/00/92/1282450092.db2.gz ABTRCMDLROJZMS-CXAGYDPISA-N 0 3 368.441 0.889 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588355334 1282454218 /nfs/dbraw/zinc/45/42/18/1282454218.db2.gz GXQSLKFDZFBNGM-VXGBXAGGSA-N 0 3 360.393 0.638 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588355334 1282454220 /nfs/dbraw/zinc/45/42/20/1282454220.db2.gz GXQSLKFDZFBNGM-VXGBXAGGSA-N 0 3 360.393 0.638 20 30 FCEDHN C#CCO[C@H](C)C(=O)N(C)CCC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588357738 1282467450 /nfs/dbraw/zinc/46/74/50/1282467450.db2.gz MJVVROYZBZJNOK-CQSZACIVSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCO[C@H](C)C(=O)N(C)CCC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588357738 1282467454 /nfs/dbraw/zinc/46/74/54/1282467454.db2.gz MJVVROYZBZJNOK-CQSZACIVSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001588357699 1282467529 /nfs/dbraw/zinc/46/75/29/1282467529.db2.gz MGISBSSDKAJSRK-KBPBESRZSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001588357699 1282467537 /nfs/dbraw/zinc/46/75/37/1282467537.db2.gz MGISBSSDKAJSRK-KBPBESRZSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588358485 1282470480 /nfs/dbraw/zinc/47/04/80/1282470480.db2.gz XTOCDRQINDXLOP-UNEWFSDZSA-N 0 3 368.441 0.889 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588358485 1282470485 /nfs/dbraw/zinc/47/04/85/1282470485.db2.gz XTOCDRQINDXLOP-UNEWFSDZSA-N 0 3 368.441 0.889 20 30 FCEDHN C=CC(C)(C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001588468893 1282513922 /nfs/dbraw/zinc/51/39/22/1282513922.db2.gz QMFICIAGLIRJRO-HNNXBMFYSA-N 0 3 358.446 0.988 20 30 FCEDHN C=CC(C)(C)C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001588468893 1282513931 /nfs/dbraw/zinc/51/39/31/1282513931.db2.gz QMFICIAGLIRJRO-HNNXBMFYSA-N 0 3 358.446 0.988 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)N(C)CCNCc1cc(-c2nn[nH]n2)ccc1OC ZINC001588499905 1282531629 /nfs/dbraw/zinc/53/16/29/1282531629.db2.gz OMMAAHFRPWKUKE-GOSISDBHSA-N 0 3 374.445 0.750 20 30 FCEDHN C=CCC[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001588578101 1282571597 /nfs/dbraw/zinc/57/15/97/1282571597.db2.gz WERCUYLGGUGVOW-JSGCOSHPSA-N 0 3 361.450 0.914 20 30 FCEDHN C=CCC[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001588578101 1282571601 /nfs/dbraw/zinc/57/16/01/1282571601.db2.gz WERCUYLGGUGVOW-JSGCOSHPSA-N 0 3 361.450 0.914 20 30 FCEDHN C=CCC[C@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001588578101 1282571608 /nfs/dbraw/zinc/57/16/08/1282571608.db2.gz WERCUYLGGUGVOW-JSGCOSHPSA-N 0 3 361.450 0.914 20 30 FCEDHN C=CCC[C@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001588578101 1282571616 /nfs/dbraw/zinc/57/16/16/1282571616.db2.gz WERCUYLGGUGVOW-JSGCOSHPSA-N 0 3 361.450 0.914 20 30 FCEDHN C=CCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001588601225 1282581766 /nfs/dbraw/zinc/58/17/66/1282581766.db2.gz ZPGLWZKKJLPOPF-WFASDCNBSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001588601225 1282581777 /nfs/dbraw/zinc/58/17/77/1282581777.db2.gz ZPGLWZKKJLPOPF-WFASDCNBSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCNC(=O)[C@@H](C)[NH2+][C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001588657851 1282607400 /nfs/dbraw/zinc/60/74/00/1282607400.db2.gz YERIJPWGIQSMJM-BXUZGUMPSA-N 0 3 374.449 0.230 20 30 FCEDHN C=CCNC(=O)[C@@H](C)[NH2+][C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001588657853 1282609957 /nfs/dbraw/zinc/60/99/57/1282609957.db2.gz YERIJPWGIQSMJM-RISCZKNCSA-N 0 3 374.449 0.230 20 30 FCEDHN C=CCOCC[NH2+][C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC001588682786 1282643670 /nfs/dbraw/zinc/64/36/70/1282643670.db2.gz JONAKRMBYXINFA-JSGCOSHPSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[NH2+][C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC001588682786 1282643679 /nfs/dbraw/zinc/64/36/79/1282643679.db2.gz JONAKRMBYXINFA-JSGCOSHPSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001588683296 1282643852 /nfs/dbraw/zinc/64/38/52/1282643852.db2.gz QCNSBRKJTMSTFW-GXTWGEPZSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001588683296 1282643869 /nfs/dbraw/zinc/64/38/69/1282643869.db2.gz QCNSBRKJTMSTFW-GXTWGEPZSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001588683521 1282650173 /nfs/dbraw/zinc/65/01/73/1282650173.db2.gz WXXVHNPJTGNVHR-JSGCOSHPSA-N 0 3 359.434 0.886 20 30 FCEDHN C=CCOCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001588683521 1282650183 /nfs/dbraw/zinc/65/01/83/1282650183.db2.gz WXXVHNPJTGNVHR-JSGCOSHPSA-N 0 3 359.434 0.886 20 30 FCEDHN C[C@@H](CNC(=O)CSCC#N)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589871404 1283104505 /nfs/dbraw/zinc/10/45/05/1283104505.db2.gz WOSRZDLVWMGLIP-GFCCVEGCSA-N 0 3 359.459 0.965 20 30 FCEDHN C[C@@H](CNC(=O)CSCC#N)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589871404 1283104509 /nfs/dbraw/zinc/10/45/09/1283104509.db2.gz WOSRZDLVWMGLIP-GFCCVEGCSA-N 0 3 359.459 0.965 20 30 FCEDHN CN(CC[NH2+]Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C#N)c[nH]1 ZINC001591104114 1284174439 /nfs/dbraw/zinc/17/44/39/1284174439.db2.gz INYMSVLDPWKXQH-UHFFFAOYSA-N 0 3 350.386 0.928 20 30 FCEDHN CN(CC[NH2+]Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C#N)c[nH]1 ZINC001591104114 1284174443 /nfs/dbraw/zinc/17/44/43/1284174443.db2.gz INYMSVLDPWKXQH-UHFFFAOYSA-N 0 3 350.386 0.928 20 30 FCEDHN C[NH+]=C(NCCN1CCOCC1)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001591198343 1284318543 /nfs/dbraw/zinc/31/85/43/1284318543.db2.gz QRJXZBCIPQVKNU-UHFFFAOYSA-N 0 3 362.413 0.003 20 30 FCEDHN C[NH+]=C(NCCN1CCOCC1)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001591198343 1284318551 /nfs/dbraw/zinc/31/85/51/1284318551.db2.gz QRJXZBCIPQVKNU-UHFFFAOYSA-N 0 3 362.413 0.003 20 30 FCEDHN COCC#CC[NH2+]C[C@](C)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001591360423 1284496075 /nfs/dbraw/zinc/49/60/75/1284496075.db2.gz CNMJLHYMPSDBCX-KRWDZBQOSA-N 0 3 357.418 0.333 20 30 FCEDHN COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001591361483 1284497818 /nfs/dbraw/zinc/49/78/18/1284497818.db2.gz MXFOMVJGWPEACQ-CYBMUJFWSA-N 0 3 357.418 0.286 20 30 FCEDHN COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001591361483 1284497823 /nfs/dbraw/zinc/49/78/23/1284497823.db2.gz MXFOMVJGWPEACQ-CYBMUJFWSA-N 0 3 357.418 0.286 20 30 FCEDHN COCC#CC[N@H+](C)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001591361385 1284498199 /nfs/dbraw/zinc/49/81/99/1284498199.db2.gz KSJDGUILEZQDJU-UHFFFAOYSA-N 0 3 357.418 0.381 20 30 FCEDHN COCC#CC[N@@H+](C)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001591361385 1284498201 /nfs/dbraw/zinc/49/82/01/1284498201.db2.gz KSJDGUILEZQDJU-UHFFFAOYSA-N 0 3 357.418 0.381 20 30 FCEDHN COCC#CC[NH2+]CCCC[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001591361815 1284498249 /nfs/dbraw/zinc/49/82/49/1284498249.db2.gz OJUQHFVDYOHJDH-CYBMUJFWSA-N 0 3 359.434 0.723 20 30 FCEDHN COCC#CC[NH2+]CCCC[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001591361815 1284498253 /nfs/dbraw/zinc/49/82/53/1284498253.db2.gz OJUQHFVDYOHJDH-CYBMUJFWSA-N 0 3 359.434 0.723 20 30 FCEDHN COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001591361471 1284498369 /nfs/dbraw/zinc/49/83/69/1284498369.db2.gz MVQMOGJQPIRNJP-KRWDZBQOSA-N 0 3 357.418 0.286 20 30 FCEDHN COCC#CC[NH2+][C@H](CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001591361797 1284498387 /nfs/dbraw/zinc/49/83/87/1284498387.db2.gz NPPWXZJDBKEVSJ-OAHLLOKOSA-N 0 3 373.461 0.921 20 30 FCEDHN COc1ccc(-c2nn[nH]n2)cc1CNCCNC(=O)c1cc(C#N)c[nH]1 ZINC001591563181 1284736769 /nfs/dbraw/zinc/73/67/69/1284736769.db2.gz MJJYGCRPYVEINO-UHFFFAOYSA-N 0 3 366.385 0.595 20 30 FCEDHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(=O)CSCC#N ZINC001591762033 1284888760 /nfs/dbraw/zinc/88/87/60/1284888760.db2.gz KBERHMFEEHWOGL-SNVBAGLBSA-N 0 3 363.422 0.857 20 30 FCEDHN C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001602717956 1287072971 /nfs/dbraw/zinc/07/29/71/1287072971.db2.gz KDNZDHVSVNBZDJ-DCDXPUDHSA-N 0 3 351.414 0.610 20 30 FCEDHN C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001602717956 1287072986 /nfs/dbraw/zinc/07/29/86/1287072986.db2.gz KDNZDHVSVNBZDJ-DCDXPUDHSA-N 0 3 351.414 0.610 20 30 FCEDHN C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001602717956 1287072997 /nfs/dbraw/zinc/07/29/97/1287072997.db2.gz KDNZDHVSVNBZDJ-DCDXPUDHSA-N 0 3 351.414 0.610 20 30 FCEDHN C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001602717956 1287073009 /nfs/dbraw/zinc/07/30/09/1287073009.db2.gz KDNZDHVSVNBZDJ-DCDXPUDHSA-N 0 3 351.414 0.610 20 30 FCEDHN C#CC[N@H+](C)CCCNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001602716312 1287074903 /nfs/dbraw/zinc/07/49/03/1287074903.db2.gz COHQIQCCMPWDHS-UHFFFAOYSA-N 0 3 357.418 0.500 20 30 FCEDHN C#CC[N@@H+](C)CCCNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001602716312 1287074916 /nfs/dbraw/zinc/07/49/16/1287074916.db2.gz COHQIQCCMPWDHS-UHFFFAOYSA-N 0 3 357.418 0.500 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001602724945 1287084061 /nfs/dbraw/zinc/08/40/61/1287084061.db2.gz ICTQLTHQJKXMJT-JKIFEVAISA-N 0 3 368.441 0.842 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001602724945 1287084069 /nfs/dbraw/zinc/08/40/69/1287084069.db2.gz ICTQLTHQJKXMJT-JKIFEVAISA-N 0 3 368.441 0.842 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001602727357 1287092896 /nfs/dbraw/zinc/09/28/96/1287092896.db2.gz OASKYMHCIISBCB-UNEWFSDZSA-N 0 3 368.441 0.889 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001602727357 1287092906 /nfs/dbraw/zinc/09/29/06/1287092906.db2.gz OASKYMHCIISBCB-UNEWFSDZSA-N 0 3 368.441 0.889 20 30 FCEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC001602853999 1287138110 /nfs/dbraw/zinc/13/81/10/1287138110.db2.gz PSZZMDLKAHBYNW-QWHCGFSZSA-N 0 3 371.445 0.623 20 30 FCEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC001602853999 1287138115 /nfs/dbraw/zinc/13/81/15/1287138115.db2.gz PSZZMDLKAHBYNW-QWHCGFSZSA-N 0 3 371.445 0.623 20 30 FCEDHN COc1ccc(CNC2(CNC(=O)[C@H]3C[C@H]3C(N)=O)CCC2)cc1C#N ZINC001733721839 1288626251 /nfs/dbraw/zinc/62/62/51/1288626251.db2.gz RRQBUVWMXRMBCR-CABCVRRESA-N 0 3 356.426 0.817 20 30 FCEDHN CO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001735883004 1288987400 /nfs/dbraw/zinc/98/74/00/1288987400.db2.gz JRLBPTFOHLMXBF-HUUCEWRRSA-N 0 3 359.430 0.326 20 30 FCEDHN C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1OCC ZINC001692016540 1289364868 /nfs/dbraw/zinc/36/48/68/1289364868.db2.gz FNHOTZJYAAGYNX-RHSMWYFYSA-N 0 3 361.442 0.761 20 30 FCEDHN C#CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC12CCOCC2 ZINC001692102594 1289400441 /nfs/dbraw/zinc/40/04/41/1289400441.db2.gz KPGSQHWDSQBEBA-IXDOHACOSA-N 0 3 361.486 0.769 20 30 FCEDHN COCC#CCN1CC[C@@H]2CN(C(=O)C3(COC)CCOCC3)C[C@@H]2C1 ZINC001692265466 1289439759 /nfs/dbraw/zinc/43/97/59/1289439759.db2.gz YWRCTGHPBSRIEZ-MSOLQXFVSA-N 0 3 364.486 0.860 20 30 FCEDHN CO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC001702320121 1290037670 /nfs/dbraw/zinc/03/76/70/1290037670.db2.gz OMCVWLJOPRWOSH-BZUAXINKSA-N 0 3 361.446 0.428 20 30 FCEDHN CC#CCNCCNC(=O)[C@@H]1CCCN(C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001752926394 1290617212 /nfs/dbraw/zinc/61/72/12/1290617212.db2.gz PSFXGFUOXCJVML-HLIPFELVSA-N 0 3 361.486 0.913 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)CN(C)CCC)C1 ZINC001757363884 1290760683 /nfs/dbraw/zinc/76/06/83/1290760683.db2.gz PVKKNPOMDVUKPK-KSZLIROESA-N 0 3 362.518 0.827 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCc3nccn3C2)C[C@H]1c1cnn(C)c1 ZINC001689032313 1294578907 /nfs/dbraw/zinc/57/89/07/1294578907.db2.gz WDRDTRAHRZARAA-BPQIPLTHSA-N 0 3 366.469 0.787 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)Cc2cnccc2OC)C[C@H]1c1cnn(C)c1 ZINC001689032392 1294579055 /nfs/dbraw/zinc/57/90/55/1294579055.db2.gz ZCRSEHLBDHLZQE-ZWKOTPCHSA-N 0 3 367.453 0.974 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2ccc(C(N)=O)nc2)C[C@H]1c1cnn(C)c1 ZINC001689035554 1294580271 /nfs/dbraw/zinc/58/02/71/1294580271.db2.gz CCSZAZMLFNFNFG-DOTOQJQBSA-N 0 3 366.425 0.135 20 30 FCEDHN C#CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1cnc2[nH]cnc2c1 ZINC001689090013 1294608117 /nfs/dbraw/zinc/60/81/17/1294608117.db2.gz GEKNUGMXXWFZBO-HIFRSBDPSA-N 0 3 368.441 0.538 20 30 FCEDHN COCC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCc4nnn(C)c4C3)C[C@@H]2C1 ZINC001689229755 1294686034 /nfs/dbraw/zinc/68/60/34/1294686034.db2.gz ACVIHJSUILZHAJ-BBWFWOEESA-N 0 3 371.485 0.350 20 30 FCEDHN C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CCN(C)CCOC ZINC001690046547 1294853078 /nfs/dbraw/zinc/85/30/78/1294853078.db2.gz 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C=C(Cl)CN[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001070275347 837642422 /nfs/dbraw/zinc/64/24/22/837642422.db2.gz HPBGMLPUOSYUMO-YUELXQCFSA-N 0 3 352.870 0.714 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cc2csc3nccn23)C[C@@H]1n1ccnn1 ZINC001070327232 837646942 /nfs/dbraw/zinc/64/69/42/837646942.db2.gz YTTVWOXPZAXHFT-KGLIPLIRSA-N 0 3 357.443 0.758 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2CCCS(=O)(=O)C2)C[C@H]1c1cncn1C ZINC001070696595 837674144 /nfs/dbraw/zinc/67/41/44/837674144.db2.gz ZXCVGPGRBSOAKE-RBSFLKMASA-N 0 3 366.487 0.315 20 30 FCEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CC(NCCS(C)(=O)=O)C1 ZINC001100746003 844056431 /nfs/dbraw/zinc/05/64/31/844056431.db2.gz CBXPLCNRKHNXPX-CKUJCDMFSA-N 0 3 358.504 0.887 20 30 FCEDHN C[C@@]12CN(CCN3CCCC3=O)C[C@@H]1CN(C(=O)CSCC#N)C2 ZINC001101135925 844073900 /nfs/dbraw/zinc/07/39/00/844073900.db2.gz AJJQQNXGPFYQST-PBHICJAKSA-N 0 3 350.488 0.646 20 30 FCEDHN CC1(C)CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCN1 ZINC000747920601 836272248 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C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnn(C)c1Cl ZINC001227082865 857140311 /nfs/dbraw/zinc/14/03/11/857140311.db2.gz KCBGWALJXAQRCY-CHWSQXEVSA-N 0 3 351.838 0.454 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COCCN1CC ZINC001227203399 857148874 /nfs/dbraw/zinc/14/88/74/857148874.db2.gz QXCNWUGAUFUBLY-OAGGEKHMSA-N 0 3 352.479 0.026 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1cn(C)nc1Cl ZINC001228593465 857217225 /nfs/dbraw/zinc/21/72/25/857217225.db2.gz CXCJNYSONIBQNN-ZIAGYGMSSA-N 0 3 367.881 0.935 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCCCO1 ZINC001228877859 857233909 /nfs/dbraw/zinc/23/39/09/857233909.db2.gz MLGSVLXILJGPKQ-BZUAXINKSA-N 0 3 350.463 0.992 20 30 FCEDHN COCC#CCN[C@@H]1CCCC[C@H]1NC(=O)[C@@]1(C)CCCS1(=O)=O ZINC001229062264 857247114 /nfs/dbraw/zinc/24/71/14/857247114.db2.gz GHWKGTLASDZBJT-BFYDXBDKSA-N 0 3 356.488 0.621 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[C@@H](C)C1 ZINC001229581836 857276412 /nfs/dbraw/zinc/27/64/12/857276412.db2.gz GEHWOMWJKCXGDO-RBSFLKMASA-N 0 3 350.463 0.174 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN1C(C)=O ZINC001229786990 857287407 /nfs/dbraw/zinc/28/74/07/857287407.db2.gz NDJXKWNIMGFGPK-OAGGEKHMSA-N 0 3 350.463 0.317 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)C1CCC1 ZINC001230248042 857317921 /nfs/dbraw/zinc/31/79/21/857317921.db2.gz UTVKCYKKMVMQAJ-HUUCEWRRSA-N 0 3 350.463 0.222 20 30 FCEDHN C=CCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCCOCC ZINC001230327817 857326040 /nfs/dbraw/zinc/32/60/40/857326040.db2.gz JKKLMILGAVFTEL-ARFHVFGLSA-N 0 3 355.479 0.747 20 30 FCEDHN C=C(C)CCN1CCS(=O)(=O)[C@@H](CCNC(=O)[C@@H]2CCN(C)[C@@H]2C)C1 ZINC001230462003 857334393 /nfs/dbraw/zinc/33/43/93/857334393.db2.gz JBKSPAIIIQGUCZ-IXDOHACOSA-N 0 3 371.547 0.898 20 30 FCEDHN C=CCCCN1CCS(=O)(=O)[C@@H](CCNC(=O)[C@@H]2CCN(C)[C@@H]2C)C1 ZINC001230467697 857336615 /nfs/dbraw/zinc/33/66/15/857336615.db2.gz UUKGBUYHIYVNTK-IXDOHACOSA-N 0 3 371.547 0.898 20 30 FCEDHN N#Cc1cc(S(=O)(=O)N2CCNC[C@]3(CCCCN3)C2)ccc1F ZINC001239017920 857500349 /nfs/dbraw/zinc/50/03/49/857500349.db2.gz LVCNINWOLJXSMP-MRXNPFEDSA-N 0 3 352.435 0.804 20 30 FCEDHN C#CCOC[C@@H](O)CN1CCc2nc(C(=O)NCC(C)C)sc2CC1 ZINC001251843614 857759190 /nfs/dbraw/zinc/75/91/90/857759190.db2.gz KVEIOSIRVSJWKF-AWEZNQCLSA-N 0 3 365.499 0.940 20 30 FCEDHN C=C[C@H](O)CNCCS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001253598922 857895441 /nfs/dbraw/zinc/89/54/41/857895441.db2.gz BFMXIFZTWVYPRL-ZDUSSCGKSA-N 0 3 363.480 0.005 20 30 FCEDHN C=CCN(CC=C)CCN1CCN(C2CCN(S(C)(=O)=O)CC2)CC1 ZINC001257243325 858133891 /nfs/dbraw/zinc/13/38/91/858133891.db2.gz NACBGBPQMKYLRH-UHFFFAOYSA-N 0 3 370.563 0.702 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)Cc2cscn2)C[C@H]1C ZINC001263707967 859192216 /nfs/dbraw/zinc/19/22/16/859192216.db2.gz CRNPFSAGWJLHNQ-UKRRQHHQSA-N 0 3 363.487 0.884 20 30 FCEDHN C=C(C)CN1C[C@@]2(F)CN(C(=O)C3(O)CCN(C)CC3)C[C@@]2(F)C1=O ZINC001272836123 860276712 /nfs/dbraw/zinc/27/67/12/860276712.db2.gz INKGMBLYMPKTEI-IAGOWNOFSA-N 0 3 357.401 0.120 20 30 FCEDHN C[C@H](O)CN1CCC[C@@]2(C1)CN(C(=O)C1(C#N)CCOCC1)CCO2 ZINC001280184516 863313444 /nfs/dbraw/zinc/31/34/44/863313444.db2.gz LKFIUZWBSLNZOZ-MAUKXSAKSA-N 0 3 351.447 0.381 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC(CC(=O)OC)CC2)CC1 ZINC001325827599 870049160 /nfs/dbraw/zinc/04/91/60/870049160.db2.gz HXDLBMOWIDDYJE-UHFFFAOYSA-N 0 3 351.447 0.555 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC001326084186 870161941 /nfs/dbraw/zinc/16/19/41/870161941.db2.gz MTHHHYLLKKTMIV-AWEZNQCLSA-N 0 3 350.463 0.269 20 30 FCEDHN C=CCn1nnn(CN2CCC(C(N)=O)(N3CCCCC3)CC2)c1=S ZINC001331478076 873119404 /nfs/dbraw/zinc/11/94/04/873119404.db2.gz LJDXCMWENSGHPF-UHFFFAOYSA-N 0 3 365.507 0.758 20 30 FCEDHN C=C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1cc(C)nc(C)c1 ZINC001333041955 873772967 /nfs/dbraw/zinc/77/29/67/873772967.db2.gz SOFNBDDDGDJPEB-LLVKDONJSA-N 0 3 361.489 0.746 20 30 FCEDHN C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573282204 946685520 /nfs/dbraw/zinc/68/55/20/946685520.db2.gz GPAGLMRYDJUDTF-PCBIJLKTSA-N 0 3 351.414 0.610 20 30 FCEDHN C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573282204 946685529 /nfs/dbraw/zinc/68/55/29/946685529.db2.gz GPAGLMRYDJUDTF-PCBIJLKTSA-N 0 3 351.414 0.610 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573285013 946764845 /nfs/dbraw/zinc/76/48/45/946764845.db2.gz BRGMCSFFMWCKSW-ZIAGYGMSSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573285013 946764851 /nfs/dbraw/zinc/76/48/51/946764851.db2.gz BRGMCSFFMWCKSW-ZIAGYGMSSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573285013 946764854 /nfs/dbraw/zinc/76/48/54/946764854.db2.gz BRGMCSFFMWCKSW-ZIAGYGMSSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573285013 946764859 /nfs/dbraw/zinc/76/48/59/946764859.db2.gz BRGMCSFFMWCKSW-ZIAGYGMSSA-N 0 3 356.430 0.842 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N(C)C1CC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573285225 946771694 /nfs/dbraw/zinc/77/16/94/946771694.db2.gz FJPGSOPIVGUDCV-IGEOTXOUSA-N 0 3 368.441 0.984 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N(C)C1CC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573285225 946771702 /nfs/dbraw/zinc/77/17/02/946771702.db2.gz FJPGSOPIVGUDCV-IGEOTXOUSA-N 0 3 368.441 0.984 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573286186 946797228 /nfs/dbraw/zinc/79/72/28/946797228.db2.gz VZRWCFVKGFPIHR-TZMCWYRMSA-N 0 3 372.404 0.735 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573286186 946797234 /nfs/dbraw/zinc/79/72/34/946797234.db2.gz VZRWCFVKGFPIHR-TZMCWYRMSA-N 0 3 372.404 0.735 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573287549 946841376 /nfs/dbraw/zinc/84/13/76/946841376.db2.gz NOPUHNIIKPCENC-FPMFFAJLSA-N 0 3 372.404 0.781 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573287549 946841385 /nfs/dbraw/zinc/84/13/85/946841385.db2.gz NOPUHNIIKPCENC-FPMFFAJLSA-N 0 3 372.404 0.781 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573288191 946862167 /nfs/dbraw/zinc/86/21/67/946862167.db2.gz SMAVLBOCKWMSDW-NWDGAFQWSA-N 0 3 360.393 0.638 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573288191 946862181 /nfs/dbraw/zinc/86/21/81/946862181.db2.gz SMAVLBOCKWMSDW-NWDGAFQWSA-N 0 3 360.393 0.638 20 30 FCEDHN C#CCOCCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573288842 946879494 /nfs/dbraw/zinc/87/94/94/946879494.db2.gz YVUGTVUJDYOYMV-HNNXBMFYSA-N 0 3 354.414 0.597 20 30 FCEDHN C#CCOCCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573288842 946879508 /nfs/dbraw/zinc/87/95/08/946879508.db2.gz YVUGTVUJDYOYMV-HNNXBMFYSA-N 0 3 354.414 0.597 20 30 FCEDHN C[C@H](C#N)C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573562724 946979504 /nfs/dbraw/zinc/97/95/04/946979504.db2.gz WTDHLVVWGRXYSM-TZMCWYRMSA-N 0 3 357.418 0.277 20 30 FCEDHN C[C@H](C#N)C(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573562724 946979510 /nfs/dbraw/zinc/97/95/10/946979510.db2.gz WTDHLVVWGRXYSM-TZMCWYRMSA-N 0 3 357.418 0.277 20 30 FCEDHN C=CC(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573304767 947143975 /nfs/dbraw/zinc/14/39/75/947143975.db2.gz GUGSFJFBNFOFCP-LBPRGKRZSA-N 0 3 362.409 0.785 20 30 FCEDHN C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001573334121 947447351 /nfs/dbraw/zinc/44/73/51/947447351.db2.gz JXIPMBNOXYANGR-GXTWGEPZSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001573334121 947447362 /nfs/dbraw/zinc/44/73/62/947447362.db2.gz JXIPMBNOXYANGR-GXTWGEPZSA-N 0 3 359.434 0.980 20 30 FCEDHN C[C@H](CNC(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574997939 950558369 /nfs/dbraw/zinc/55/83/69/950558369.db2.gz ZKOMJSCYBQJXKF-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@H](CNC(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574997939 950558379 /nfs/dbraw/zinc/55/83/79/950558379.db2.gz ZKOMJSCYBQJXKF-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@H](CNC(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575018641 951020807 /nfs/dbraw/zinc/02/08/07/951020807.db2.gz NPXRZFYTLZRTJA-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@H](CNC(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001575018641 951020818 /nfs/dbraw/zinc/02/08/18/951020818.db2.gz NPXRZFYTLZRTJA-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN CCN1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000294812491 214266275 /nfs/dbraw/zinc/26/62/75/214266275.db2.gz PTJDLIGKTZJXJS-MRXNPFEDSA-N 0 3 372.473 0.766 20 30 FCEDHN CN(C)C[C@@](C)(O)CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000276841961 212295347 /nfs/dbraw/zinc/29/53/47/212295347.db2.gz HTGGUULGAYQCSZ-APWZRJJASA-N 0 3 373.457 0.271 20 30 FCEDHN Cc1cccc(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)c1C#N ZINC000187388061 209210711 /nfs/dbraw/zinc/21/07/11/209210711.db2.gz IVPWAVAIRRZFCD-OAHLLOKOSA-N 0 3 357.458 0.947 20 30 FCEDHN C=C(C)[C@@H](NC(=O)C(=O)NC[C@@H]1CNCCO1)c1ccc(F)c(F)c1 ZINC000419682085 246248342 /nfs/dbraw/zinc/24/83/42/246248342.db2.gz SLCDRYNKORJDHO-SWLSCSKDSA-N 0 3 353.369 0.803 20 30 FCEDHN N#Cc1cccnc1OC1CCC(NC(=O)C(=O)N2CCC[C@H]2CN)CC1 ZINC000419736637 246276272 /nfs/dbraw/zinc/27/62/72/246276272.db2.gz SZEGEYVEDXDDNT-PCKAHOCUSA-N 0 3 371.441 0.709 20 30 FCEDHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000420022924 246422032 /nfs/dbraw/zinc/42/20/32/246422032.db2.gz AFTQPZQMKAUHKZ-WBMJQRKESA-N 0 3 372.425 0.377 20 30 FCEDHN N#Cc1cccc(OC2CCN(C(=O)C(=O)N[C@H](CN)C3CC3)CC2)c1 ZINC000420058750 246443896 /nfs/dbraw/zinc/44/38/96/246443896.db2.gz IWCSNGIHTPCXDU-QGZVFWFLSA-N 0 3 356.426 0.782 20 30 FCEDHN N#Cc1cccc([C@@H]2CN(C(=O)C(=O)N3CCCC[C@@H]3CN)CCO2)c1 ZINC000423617640 247076891 /nfs/dbraw/zinc/07/68/91/247076891.db2.gz GTIQQXHGEFMUSO-SJORKVTESA-N 0 3 356.426 0.798 20 30 FCEDHN N#CCCC[C@@H](N)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000424067610 247166414 /nfs/dbraw/zinc/16/64/14/247166414.db2.gz PVIUIFDSVMFOMH-MRXNPFEDSA-N 0 3 364.471 0.682 20 30 FCEDHN CN1CCN(C(=O)c2ccc(CNC(=O)[C@H](N)CCCC#N)cc2)CC1 ZINC000424142508 247171517 /nfs/dbraw/zinc/17/15/17/247171517.db2.gz YJPMFILDSOHVBT-QGZVFWFLSA-N 0 3 357.458 0.712 20 30 FCEDHN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)[C@H](N)CCCC#N)cn2)C[C@H](C)O1 ZINC000424132641 247172449 /nfs/dbraw/zinc/17/24/49/247172449.db2.gz WMEKUIKMMFSTGO-VNHYZAJKSA-N 0 3 362.434 0.479 20 30 FCEDHN CN(C[C@@H]1C[C@H](F)CN1Cc1ccnn1C)C(=O)[C@H](N)CCCC#N ZINC000424187520 247175255 /nfs/dbraw/zinc/17/52/55/247175255.db2.gz JEDBQOGWAWPJQI-CWRNSKLLSA-N 0 3 350.442 0.812 20 30 FCEDHN C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)[C@H](N)CCCC#N ZINC000424182118 247175379 /nfs/dbraw/zinc/17/53/79/247175379.db2.gz GDUHKZDBEBEJER-UKRRQHHQSA-N 0 3 352.460 0.881 20 30 FCEDHN CN(C)CCN1CCC(NC(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 ZINC000270159885 211161175 /nfs/dbraw/zinc/16/11/75/211161175.db2.gz IEEDDBMJCPVVAJ-UHFFFAOYSA-N 0 3 369.469 0.590 20 30 FCEDHN CN(C)CCOCCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000471655755 250113274 /nfs/dbraw/zinc/11/32/74/250113274.db2.gz XZAACGSZVRJYQK-KRWDZBQOSA-N 0 3 373.457 0.931 20 30 FCEDHN CN(C)CCOCCNC(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000471656375 250114587 /nfs/dbraw/zinc/11/45/87/250114587.db2.gz CCFBWLZHXUTKAV-AUUYWEPGSA-N 0 3 371.441 0.620 20 30 FCEDHN CCN1CCN([C@H](C)CNC(=O)CNC(=O)c2ccc(C#N)cc2)CC1 ZINC000474067086 250267767 /nfs/dbraw/zinc/26/77/67/250267767.db2.gz MUZWSKYQONMSPJ-OAHLLOKOSA-N 0 3 357.458 0.430 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC(=O)NC2)cc1 ZINC000480949992 250300061 /nfs/dbraw/zinc/30/00/61/250300061.db2.gz CLOLQVBIQHRROV-ZYHUDNBSSA-N 0 3 350.400 0.772 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(CCO)CCCO)cc1 ZINC000481020209 250309049 /nfs/dbraw/zinc/30/90/49/250309049.db2.gz UGJTYSCDDOYVNV-LBPRGKRZSA-N 0 3 355.416 0.581 20 30 FCEDHN CN(C)c1cc(C#N)cc(C(=O)NCCCCN2CCN(CCO)CC2)c1 ZINC000481998948 250375155 /nfs/dbraw/zinc/37/51/55/250375155.db2.gz OFCCATGHJQPWBB-UHFFFAOYSA-N 0 3 373.501 0.744 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@]2(CO)CCOC2)cc1 ZINC000483572990 250453108 /nfs/dbraw/zinc/45/31/08/250453108.db2.gz HPWYGYNHLRPYTM-ABAIWWIYSA-N 0 3 353.400 0.645 20 30 FCEDHN COC(=O)[C@@H]1CN(C)CCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000411900381 533004758 /nfs/dbraw/zinc/00/47/58/533004758.db2.gz DWUZRVHWUFIFBV-CYBMUJFWSA-N 0 3 350.444 0.985 20 30 FCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H]3C(C)(C)O)CC2)o1 ZINC000119078624 208353412 /nfs/dbraw/zinc/35/34/12/208353412.db2.gz BZJWWANQWOBHMX-HNNXBMFYSA-N 0 3 361.446 0.739 20 30 FCEDHN 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C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCn2ncnc2C1)C(C)C ZINC000556204610 491302742 /nfs/dbraw/zinc/30/27/42/491302742.db2.gz DUVSMJPJHKGACO-OAHLLOKOSA-N 0 3 360.462 0.435 20 30 FCEDHN N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000564446788 491307506 /nfs/dbraw/zinc/30/75/06/491307506.db2.gz BDNULXUMYLSLQO-HNNXBMFYSA-N 0 3 362.455 0.533 20 30 FCEDHN Cc1cc(NC(=O)C(=O)NCCN2CCCC(C)(C)C2)nn1CCC#N ZINC000447433082 490235337 /nfs/dbraw/zinc/23/53/37/490235337.db2.gz YSELATDHOIRLJS-UHFFFAOYSA-N 0 3 360.462 1.282 20 30 FCEDHN COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000546711363 490235924 /nfs/dbraw/zinc/23/59/24/490235924.db2.gz KEPWZQWFVIREGH-AWEZNQCLSA-N 0 3 373.457 0.505 20 30 FCEDHN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C)CC[C@H]1C ZINC000482182599 490239695 /nfs/dbraw/zinc/23/96/95/490239695.db2.gz STBLHOBSSVVZAB-ZIAGYGMSSA-N 0 3 364.471 0.778 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CCN(CC(F)F)C2)CC1 ZINC000422299396 490241048 /nfs/dbraw/zinc/24/10/48/490241048.db2.gz TYSKCRAFBGEZAO-CQSZACIVSA-N 0 3 358.433 0.599 20 30 FCEDHN CCN(CC)CC(=O)N1CCN(CC(=O)N(CC)C[C@H](C)C#N)CC1 ZINC000507715066 490255628 /nfs/dbraw/zinc/25/56/28/490255628.db2.gz CWVWLKDEZLNRRX-MRXNPFEDSA-N 0 3 351.495 0.481 20 30 FCEDHN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC1(O)CCN(C)CC1 ZINC000467490827 490300349 /nfs/dbraw/zinc/30/03/49/490300349.db2.gz RETBTLZJVJZMRU-UHFFFAOYSA-N 0 3 370.457 0.723 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCN(C)C2=O)cc1 ZINC000483480179 490320908 /nfs/dbraw/zinc/32/09/08/490320908.db2.gz UOCCSEDCOXWXTI-ZWNOBZJWSA-N 0 3 350.400 0.725 20 30 FCEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000534665791 490394918 /nfs/dbraw/zinc/39/49/18/490394918.db2.gz LHKDRPGJJQCCRC-KRWDZBQOSA-N 0 3 374.485 0.832 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCN(CC(C)C)C(=O)[C@@H]2C)CC1 ZINC000571708887 491324240 /nfs/dbraw/zinc/32/42/40/491324240.db2.gz PFBXZCPYBZTOQY-HNNXBMFYSA-N 0 3 364.490 0.468 20 30 FCEDHN CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)N(C)[C@H](C)CC#N ZINC000509343186 490418083 /nfs/dbraw/zinc/41/80/83/490418083.db2.gz JFKGHORHCSAWLI-HZPDHXFCSA-N 0 3 359.540 0.813 20 30 FCEDHN C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](C)N2CCCC[C@@H]2C)C1=O ZINC000522977286 490424437 /nfs/dbraw/zinc/42/44/37/490424437.db2.gz ZGIBWKDPTARSJG-STQMWFEESA-N 0 3 350.419 0.342 20 30 FCEDHN CN1CCN(CCCCNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000523066719 490435857 /nfs/dbraw/zinc/43/58/57/490435857.db2.gz CWYXUPGZKFUDGV-UHFFFAOYSA-N 0 3 361.421 0.780 20 30 FCEDHN CN1CC[C@](O)(CNC(=O)COc2cccc(Br)c2C#N)C1 ZINC000450626584 490481664 /nfs/dbraw/zinc/48/16/64/490481664.db2.gz SEMMRIZJQIRUIN-HNNXBMFYSA-N 0 3 368.231 0.882 20 30 FCEDHN COC(=O)[C@@H]1CN(C)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000413901638 490509176 /nfs/dbraw/zinc/50/91/76/490509176.db2.gz MPQOCDHMAXRJGL-DLBZAZTESA-N 0 3 354.410 0.804 20 30 FCEDHN CN(C)CCn1c2cc(NC(=O)C(=O)NCC(C)(C)C#N)ccc2oc1=O ZINC000510653901 490531509 /nfs/dbraw/zinc/53/15/09/490531509.db2.gz XGOXUJGNIACPNI-UHFFFAOYSA-N 0 3 373.413 0.761 20 30 FCEDHN N#Cc1cccc(NC(=O)CCN2CCC[C@@H](CS(N)(=O)=O)C2)c1 ZINC000511638193 490611048 /nfs/dbraw/zinc/61/10/48/490611048.db2.gz FMBRDWXPKIEVIZ-CQSZACIVSA-N 0 3 350.444 0.887 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC[C@H](OCCOC)C2)CC1 ZINC000572193228 491354821 /nfs/dbraw/zinc/35/48/21/491354821.db2.gz PJQMJSJAOPIKAO-INIZCTEOSA-N 0 3 353.463 0.407 20 30 FCEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000528400631 490794118 /nfs/dbraw/zinc/79/41/18/490794118.db2.gz PLPTXBRQWHPPJL-UKRRQHHQSA-N 0 3 353.444 0.298 20 30 FCEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1C[C@H](CO)O[C@@H](C)C1)C(C)C ZINC000514957560 490800244 /nfs/dbraw/zinc/80/02/44/490800244.db2.gz YQWYPZBAUBOSIO-GVDBMIGSSA-N 0 3 367.490 0.409 20 30 FCEDHN N#C[C@@H]1CC[C@@H](NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000515033773 490804454 /nfs/dbraw/zinc/80/44/54/490804454.db2.gz IESYQMWNSFCVBC-HZPDHXFCSA-N 0 3 363.487 0.815 20 30 FCEDHN CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000504591776 490805735 /nfs/dbraw/zinc/80/57/35/490805735.db2.gz WYVXSXIJCFONDA-INIZCTEOSA-N 0 3 370.356 0.527 20 30 FCEDHN CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000504591777 490805870 /nfs/dbraw/zinc/80/58/70/490805870.db2.gz WYVXSXIJCFONDA-MRXNPFEDSA-N 0 3 370.356 0.527 20 30 FCEDHN COc1cc([C@H](C#N)NC(=O)C(C)S(C)(=O)=O)cc(OC)c1OC ZINC000505554178 490833384 /nfs/dbraw/zinc/83/33/84/490833384.db2.gz VSKBCPISNUIKKC-KOLCDFICSA-N 0 3 356.400 0.826 20 30 FCEDHN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CCN(C)C)C1CC1 ZINC000505671157 490836899 /nfs/dbraw/zinc/83/68/99/490836899.db2.gz VFJYYMNIZJQWSF-CYBMUJFWSA-N 0 3 364.471 0.778 20 30 FCEDHN Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3CCCN(C)C3)CC2)c1C#N ZINC000530413537 490903993 /nfs/dbraw/zinc/90/39/93/490903993.db2.gz ZFNBDFPVXFZLOK-OAHLLOKOSA-N 0 3 359.478 0.774 20 30 FCEDHN Cc1nsc(N2CCN(C(=O)NC[C@H]3CNCCO3)CC2)c1C#N ZINC000572347616 491363717 /nfs/dbraw/zinc/36/37/17/491363717.db2.gz BQJXUFPISBMWFC-GFCCVEGCSA-N 0 3 350.448 0.143 20 30 FCEDHN Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCN(C4CC4)C3)CC2)c1C#N ZINC000530519397 490910227 /nfs/dbraw/zinc/91/02/27/490910227.db2.gz OKTJCEWVUHUBML-AWEZNQCLSA-N 0 3 357.462 0.669 20 30 FCEDHN CN1CCC(C#N)(NC(=O)CCN2CCN(c3ccccn3)CC2)CC1 ZINC000530577155 490914095 /nfs/dbraw/zinc/91/40/95/490914095.db2.gz RXXRRXLPAKUYFA-UHFFFAOYSA-N 0 3 356.474 0.698 20 30 FCEDHN N#CCN1CCC(CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000532048516 490984425 /nfs/dbraw/zinc/98/44/25/490984425.db2.gz XEGFRRMMNOHEGH-FQEVSTJZSA-N 0 3 356.470 0.975 20 30 FCEDHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cc(F)cc(C#N)c2)CC1 ZINC000602019221 491957013 /nfs/dbraw/zinc/95/70/13/491957013.db2.gz IYUJNXYQWBWVEB-CYBMUJFWSA-N 0 3 361.421 0.778 20 30 FCEDHN CN(C)C(=O)[C@@H]1CC[C@H](CNC[C@H](O)COc2ccc(CC#N)cc2)O1 ZINC000569568021 491169045 /nfs/dbraw/zinc/16/90/45/491169045.db2.gz ALKQAIYFYGHCDF-JQHSSLGASA-N 0 3 361.442 0.718 20 30 FCEDHN C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCC(C)(C)N2CCCCC2)C1=O ZINC000562771570 491188041 /nfs/dbraw/zinc/18/80/41/491188041.db2.gz QAJLCDURPNEVEI-OAHLLOKOSA-N 0 3 364.490 0.612 20 30 FCEDHN Cc1nnc2n1C[C@H](CNCCS(=O)(=O)c1ccc(C#N)cn1)CC2 ZINC000557506602 491379675 /nfs/dbraw/zinc/37/96/75/491379675.db2.gz UVWOJPGWAZVYOP-AWEZNQCLSA-N 0 3 360.443 0.479 20 30 FCEDHN Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@]3(O)CN4CCC3CC4)CC2)o1 ZINC000565553178 491384552 /nfs/dbraw/zinc/38/45/52/491384552.db2.gz ZISFUYPZPIXPEY-LJQANCHMSA-N 0 3 373.457 0.644 20 30 FCEDHN Cc1nc(C#N)c(N2CCC(C(=O)NC[C@]3(O)CN4CCC3CC4)CC2)o1 ZINC000565553172 491384621 /nfs/dbraw/zinc/38/46/21/491384621.db2.gz ZISFUYPZPIXPEY-IBGZPJMESA-N 0 3 373.457 0.644 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC([C@H](C)NC(C)=O)CC2)CC1 ZINC000557731241 491394408 /nfs/dbraw/zinc/39/44/08/491394408.db2.gz LYMPHDXBQUYHOQ-AWEZNQCLSA-N 0 3 364.490 0.516 20 30 FCEDHN C=CCCC[C@H](C)NC(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000558003232 491408467 /nfs/dbraw/zinc/40/84/67/491408467.db2.gz FPTUKCOFGCFDSE-HNNXBMFYSA-N 0 3 366.506 0.906 20 30 FCEDHN N#Cc1cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1Cl ZINC000566690561 491461063 /nfs/dbraw/zinc/46/10/63/491461063.db2.gz VEGDKZNRYUCJJJ-ZWNOBZJWSA-N 0 3 354.819 0.144 20 30 FCEDHN N#Cc1ncn(CCNC[C@H](O)COc2cccc(Br)c2)n1 ZINC000567606476 491517505 /nfs/dbraw/zinc/51/75/05/491517505.db2.gz NRWHCSSCBOFDFR-LBPRGKRZSA-N 0 3 366.219 0.942 20 30 FCEDHN COCCN1CCC(NCCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000575377443 491551792 /nfs/dbraw/zinc/55/17/92/491551792.db2.gz QTXUDLGVARGZRU-UHFFFAOYSA-N 0 3 352.460 0.427 20 30 FCEDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)C(C)C#N)CC1 ZINC000568136208 491555164 /nfs/dbraw/zinc/55/51/64/491555164.db2.gz KMKVDCSYADVXRQ-GFCCVEGCSA-N 0 3 366.399 0.896 20 30 FCEDHN N#Cc1cccc(NC(=O)C(=O)NCC(=O)NCCN2CCCCCC2)n1 ZINC000568627064 491593831 /nfs/dbraw/zinc/59/38/31/491593831.db2.gz QCZRHQXCNLUKMA-UHFFFAOYSA-N 0 3 372.429 0.000 20 30 FCEDHN Cn1cnc2c1c(=O)n(CCCN1CCC(CCC#N)CC1)c(=O)n2C ZINC000577950475 491665346 /nfs/dbraw/zinc/66/53/46/491665346.db2.gz KQSAMMOYKDCSJP-UHFFFAOYSA-N 0 3 358.446 0.840 20 30 FCEDHN CCCCN(C)CCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000578806627 491684827 /nfs/dbraw/zinc/68/48/27/491684827.db2.gz JIVCNLUBHAUQBS-UHFFFAOYSA-N 0 3 352.460 0.685 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000579556066 491700471 /nfs/dbraw/zinc/70/04/71/491700471.db2.gz DCBLKQOPOZASCG-XHSDSOJGSA-N 0 3 356.488 0.878 20 30 FCEDHN CN(CCC#N)C[C@H](O)CN[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000580311543 491725497 /nfs/dbraw/zinc/72/54/97/491725497.db2.gz LQKMDVQKCAGTSO-XUVXKRRUSA-N 0 3 360.502 0.665 20 30 FCEDHN C=CCSCCNC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000586813154 491733343 /nfs/dbraw/zinc/73/33/43/491733343.db2.gz OHTGSFWXPJTJFD-OAHLLOKOSA-N 0 3 354.520 0.260 20 30 FCEDHN N#CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)CC1 ZINC000588129003 491740183 /nfs/dbraw/zinc/74/01/83/491740183.db2.gz XMBPNKXNUOHDAX-QGZVFWFLSA-N 0 3 361.490 0.567 20 30 FCEDHN Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](CO)CN3CCCC3)CC2)o1 ZINC000588867125 491750756 /nfs/dbraw/zinc/75/07/56/491750756.db2.gz JNCIWJLYLHNIGU-OAHLLOKOSA-N 0 3 361.446 0.644 20 30 FCEDHN Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](CO)CN3CCCC3)CC2)o1 ZINC000588867108 491750816 /nfs/dbraw/zinc/75/08/16/491750816.db2.gz JNCIWJLYLHNIGU-HNNXBMFYSA-N 0 3 361.446 0.644 20 30 FCEDHN CC[C@H](CN1CCCC1)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000589422416 491761645 /nfs/dbraw/zinc/76/16/45/491761645.db2.gz OBZDRMWLWIHIMI-OAHLLOKOSA-N 0 3 364.471 0.827 20 30 FCEDHN N#Cc1cccnc1OC1CCC(NC(=O)NC[C@@H]2CNCCO2)CC1 ZINC000581300250 491767562 /nfs/dbraw/zinc/76/75/62/491767562.db2.gz ZOKWYFKVQBYZPA-GPANFISMSA-N 0 3 359.430 0.931 20 30 FCEDHN CN(C[C@H]1CCCN(C)C1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000581638249 491780957 /nfs/dbraw/zinc/78/09/57/491780957.db2.gz KIJDYQOCCQUHKO-HNNXBMFYSA-N 0 3 364.471 0.637 20 30 FCEDHN COC(=O)[C@@H]1CCC[C@@H]1NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000590752155 491785455 /nfs/dbraw/zinc/78/54/55/491785455.db2.gz NZPHCWWDQLEYMQ-OWCLPIDISA-N 0 3 350.463 0.610 20 30 FCEDHN CN1C(=O)NCC12CCN(C[C@H](O)COc1ccc(CC#N)cc1)CC2 ZINC000591856317 491824482 /nfs/dbraw/zinc/82/44/82/491824482.db2.gz ILXJGGSKKAHUES-INIZCTEOSA-N 0 3 358.442 0.982 20 30 FCEDHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@@](O)(CC#N)C1 ZINC000592077083 491830424 /nfs/dbraw/zinc/83/04/24/491830424.db2.gz BIZJIVWWEYGATK-HNNXBMFYSA-N 0 3 355.464 0.101 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(CC)C(=O)[C@@H]2C)CC1 ZINC000584130763 491859146 /nfs/dbraw/zinc/85/91/46/491859146.db2.gz ODVJNXCGABSJLP-AWEZNQCLSA-N 0 3 350.463 0.222 20 30 FCEDHN CN(CCC#N)C[C@@H](O)CNCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000584168142 491859786 /nfs/dbraw/zinc/85/97/86/491859786.db2.gz UBUTWZAJAIOKAM-AWEZNQCLSA-N 0 3 374.894 0.414 20 30 FCEDHN CN(C)CCn1nnnc1SC[C@@H](O)COc1ccc(CC#N)cc1 ZINC000594889600 491871316 /nfs/dbraw/zinc/87/13/16/491871316.db2.gz LPOAOADNFTWANO-AWEZNQCLSA-N 0 3 362.459 0.833 20 30 FCEDHN N#CC1(C[C@@H](O)CNCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000600720586 491878633 /nfs/dbraw/zinc/87/86/33/491878633.db2.gz HSVDUJOCOXFBPA-CYBMUJFWSA-N 0 3 368.415 0.517 20 30 FCEDHN Cc1nn(C)c(N2CCN(C(=O)c3cnn(CCN(C)C)c3)CC2)c1C#N ZINC000601519853 491931129 /nfs/dbraw/zinc/93/11/29/491931129.db2.gz OLAOULGCPOUNDN-UHFFFAOYSA-N 0 3 370.461 0.321 20 30 FCEDHN CN(C)CCn1cc(C(=O)N2CCN(c3cnccc3C#N)CC2)cn1 ZINC000601594051 491937450 /nfs/dbraw/zinc/93/74/50/491937450.db2.gz JMYCWGJFMCHVLD-UHFFFAOYSA-N 0 3 353.430 0.674 20 30 FCEDHN CCN1CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)[C@@H](C)C1 ZINC000595536762 491940726 /nfs/dbraw/zinc/94/07/26/491940726.db2.gz VFWGUYIGUQQQGJ-HNNXBMFYSA-N 0 3 374.489 0.919 20 30 FCEDHN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CN2CCC[C@H]2CO1 ZINC000602119384 491961352 /nfs/dbraw/zinc/96/13/52/491961352.db2.gz OLPDFMROZZLADD-YCPHGPKFSA-N 0 3 356.430 0.249 20 30 FCEDHN CN(C)[C@H](CNC(=O)C(=O)N1CCN(CCC#N)CC1)Cc1ccccc1 ZINC000602223850 491968870 /nfs/dbraw/zinc/96/88/70/491968870.db2.gz BIZWJMXZCNCTOC-SFHVURJKSA-N 0 3 371.485 0.333 20 30 FCEDHN C=CC[C@@H]1N(C(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCCC1(C)C ZINC000595987928 491969548 /nfs/dbraw/zinc/96/95/48/491969548.db2.gz DICNNJZYYZHCIF-ZNMIVQPWSA-N 0 3 362.474 0.350 20 30 FCEDHN C=CCN(CC1CCCCC1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595997524 491970656 /nfs/dbraw/zinc/97/06/56/491970656.db2.gz ZLDJBIKWIOANPB-HOTGVXAUSA-N 0 3 362.474 0.352 20 30 FCEDHN N#Cc1cccc(CNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000597184801 492021283 /nfs/dbraw/zinc/02/12/83/492021283.db2.gz QDTQNURQBTYAGA-QGZVFWFLSA-N 0 3 356.426 0.544 20 30 FCEDHN C=C[C@](C)(O)C(=O)NCCN(CCN1CCCCC1)C(=O)[C@@](C)(O)C=C ZINC000614734838 492050811 /nfs/dbraw/zinc/05/08/11/492050811.db2.gz MTGPSEKNMYKMPF-OALUTQOASA-N 0 3 367.490 0.291 20 30 FCEDHN CC[C@@H]1CN(C)CCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000597604169 492050979 /nfs/dbraw/zinc/05/09/79/492050979.db2.gz GYMUNDGAKWAFNS-OAHLLOKOSA-N 0 3 364.471 0.779 20 30 FCEDHN CN(C)C[C@H](CO)NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000597655635 492056693 /nfs/dbraw/zinc/05/66/93/492056693.db2.gz ZJYQYZZMJHBKMQ-LLVKDONJSA-N 0 3 356.220 0.738 20 30 FCEDHN CCOC(=O)CCN(C[C@H]1CCCN1CC)S(=O)(=O)N(C)CCC#N ZINC000604443724 492061565 /nfs/dbraw/zinc/06/15/65/492061565.db2.gz DMBZNCWIIJQVDU-OAHLLOKOSA-N 0 3 374.507 0.816 20 30 FCEDHN COC(=O)[C@@H]1CN(C)CCN(CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000599437117 492172482 /nfs/dbraw/zinc/17/24/82/492172482.db2.gz FNZFISAFLLNCGS-OAHLLOKOSA-N 0 3 369.421 0.323 20 30 FCEDHN CN(C)CCOc1ccc(NC(=O)C(=O)NC2CCN(CC#N)CC2)cc1 ZINC000609340550 492206301 /nfs/dbraw/zinc/20/63/01/492206301.db2.gz BPVQMHYKZBUXGS-UHFFFAOYSA-N 0 3 373.457 0.670 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC2CC(CO)(CO)C2)cc1 ZINC000599789526 492208322 /nfs/dbraw/zinc/20/83/22/492208322.db2.gz BZWIJLCKLIDSJM-NSHDSACASA-N 0 3 367.427 0.627 20 30 FCEDHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@]2(C#N)CCSC2)CC1=O ZINC000609582168 492215146 /nfs/dbraw/zinc/21/51/46/492215146.db2.gz UWNSMLLUWRMIKY-CPUCHLNUSA-N 0 3 350.488 0.835 20 30 FCEDHN N#Cc1cccc(CN2CCC(NC(=O)NC[C@@H]3COCCN3)CC2)c1 ZINC000599923714 492217874 /nfs/dbraw/zinc/21/78/74/492217874.db2.gz YGEVIAZZZMNPSW-GOSISDBHSA-N 0 3 357.458 0.810 20 30 FCEDHN C=C(CNC(=O)[C@H](C)Cc1c[nH]cn1)CNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000620746679 492332566 /nfs/dbraw/zinc/33/25/66/492332566.db2.gz DZNWIFFQTXBFLF-OKILXGFUSA-N 0 3 358.446 0.979 20 30 FCEDHN C=C(CNC(=O)[C@H](C)Cc1cnc[nH]1)CNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC000620746679 492332568 /nfs/dbraw/zinc/33/25/68/492332568.db2.gz DZNWIFFQTXBFLF-OKILXGFUSA-N 0 3 358.446 0.979 20 30 FCEDHN C=CCn1c(COCCOC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000634339237 492338923 /nfs/dbraw/zinc/33/89/23/492338923.db2.gz BAUPVZURYMOTFF-INIZCTEOSA-N 0 3 365.478 0.786 20 30 FCEDHN C=CCN(CC=C)[C@H](CNC(=O)N1CC(NS(C)(=O)=O)C1)C(C)C ZINC000636573684 492626733 /nfs/dbraw/zinc/62/67/33/492626733.db2.gz DEWNKRDQYBBVEY-OAHLLOKOSA-N 0 3 358.508 0.628 20 30 FCEDHN C=CCN1CCC(NC(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)CC1 ZINC000651273661 492732476 /nfs/dbraw/zinc/73/24/76/492732476.db2.gz UXPJOCHQZCMBSZ-KRWDZBQOSA-N 0 3 363.433 0.612 20 30 FCEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000644844619 492812637 /nfs/dbraw/zinc/81/26/37/492812637.db2.gz ZEHWDDGMVJTPJQ-NVXWUHKLSA-N 0 3 358.442 0.828 20 30 FCEDHN CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccnn1C1CCN(CC)CC1 ZINC000646951787 493131156 /nfs/dbraw/zinc/13/11/56/493131156.db2.gz NGFSRKJVFQDKHG-AWEZNQCLSA-N 0 3 361.446 0.369 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N(C)[C@H](CO)Cc2ccccc2)CC1 ZINC000668835869 493418320 /nfs/dbraw/zinc/41/83/20/493418320.db2.gz LLHFDTLOUZIPRK-SFHVURJKSA-N 0 3 359.470 0.815 20 30 FCEDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCC#CCNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000681339440 493757612 /nfs/dbraw/zinc/75/76/12/493757612.db2.gz MWVMMVGAESVKMY-USTZCAOPSA-N 0 3 362.518 0.968 20 30 FCEDHN C[C@@H]1C[C@H](C)CN(C(C)(C)CNS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 ZINC000409561460 533792915 /nfs/dbraw/zinc/79/29/15/533792915.db2.gz LFSQLEVDELRYAI-ZNMIVQPWSA-N 0 3 358.508 0.802 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(-n3nccn3)cc2)CC1 ZINC000173273207 526418781 /nfs/dbraw/zinc/41/87/81/526418781.db2.gz XNCRZHRPBKEAHN-UHFFFAOYSA-N 0 3 354.414 0.972 20 30 FCEDHN C=CCN1CCC(NC(=O)NCCNS(=O)(=O)c2cccs2)CC1 ZINC000179083174 526433368 /nfs/dbraw/zinc/43/33/68/526433368.db2.gz FFMGUVXSBPSXCB-UHFFFAOYSA-N 0 3 372.516 0.976 20 30 FCEDHN C=CCNC(=O)CNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000190642687 526553278 /nfs/dbraw/zinc/55/32/78/526553278.db2.gz DXQPQLKUODSOCW-KRWDZBQOSA-N 0 3 360.458 0.879 20 30 FCEDHN C=CCNC(=O)NC(=O)CN(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000188301145 526586600 /nfs/dbraw/zinc/58/66/00/526586600.db2.gz CBVKKGUSSJAAJJ-IBGZPJMESA-N 0 3 360.458 0.567 20 30 FCEDHN C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC000174145757 526650078 /nfs/dbraw/zinc/65/00/78/526650078.db2.gz KZDLXOXMURMLRU-OAHLLOKOSA-N 0 3 358.442 0.951 20 30 FCEDHN C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc1 ZINC000177062012 527053569 /nfs/dbraw/zinc/05/35/69/527053569.db2.gz RWKMZFBUDXXNIU-ZFWWWQNUSA-N 0 3 361.467 0.953 20 30 FCEDHN C#CCOc1ccccc1NC(=O)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000185657572 527130890 /nfs/dbraw/zinc/13/08/90/527130890.db2.gz GLJAOXFXYFVFHS-INIZCTEOSA-N 0 3 372.469 0.779 20 30 FCEDHN C=CC[C@H](CO)CNC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413615611 527170378 /nfs/dbraw/zinc/17/03/78/527170378.db2.gz HVBDDYBWYKHRTO-INIZCTEOSA-N 0 3 354.495 0.267 20 30 FCEDHN C#Cc1cccc(NC(=O)CNC(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000174153931 527452733 /nfs/dbraw/zinc/45/27/33/527452733.db2.gz PQVLEJGHRYRWLJ-INIZCTEOSA-N 0 3 371.485 0.789 20 30 FCEDHN C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)c1 ZINC000074225155 527452962 /nfs/dbraw/zinc/45/29/62/527452962.db2.gz VGRCADKAJALSIJ-OAHLLOKOSA-N 0 3 356.426 0.133 20 30 FCEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)CNC(C)(C)CN2CCOCC2)CC1 ZINC000411998129 528338557 /nfs/dbraw/zinc/33/85/57/528338557.db2.gz LQXFLFGHWGKOGE-QGZVFWFLSA-N 0 3 365.522 0.379 20 30 FCEDHN CCN(CCC#N)S(=O)(=O)Nc1ccc(OC[C@H](O)CN(C)C)cc1 ZINC000410137784 528396916 /nfs/dbraw/zinc/39/69/16/528396916.db2.gz XXAXFPZWWCZGGU-OAHLLOKOSA-N 0 3 370.475 0.880 20 30 FCEDHN CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000370223652 528639207 /nfs/dbraw/zinc/63/92/07/528639207.db2.gz UPEJWXUCNLDJDE-DLBZAZTESA-N 0 3 371.551 0.813 20 30 FCEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@H](Cc3cnn(C)c3)C2)CC1 ZINC000378351046 528900662 /nfs/dbraw/zinc/90/06/62/528900662.db2.gz RBXZMOVAZQWCGH-HKUYNNGSSA-N 0 3 372.517 0.977 20 30 FCEDHN CN(C)C[C@H](O)CNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000453562451 535955409 /nfs/dbraw/zinc/95/54/09/535955409.db2.gz BGQVYANFSMWOHG-LLVKDONJSA-N 0 3 352.460 0.894 20 30 FCEDHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cn1C ZINC000329732737 546562235 /nfs/dbraw/zinc/56/22/35/546562235.db2.gz QKJFLESTLDXACA-DGCLKSJQSA-N 0 3 357.480 0.836 20 30 FCEDHN Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cn1C ZINC000329732737 546562239 /nfs/dbraw/zinc/56/22/39/546562239.db2.gz QKJFLESTLDXACA-DGCLKSJQSA-N 0 3 357.480 0.836 20 30 FCEDHN CN(C(=O)CN[C@H](CC(N)=O)C1CCOCC1)C1(C#N)CCCCC1 ZINC000181926065 547322801 /nfs/dbraw/zinc/32/28/01/547322801.db2.gz NARQQCKAEUGVNC-OAHLLOKOSA-N 0 3 350.463 0.931 20 30 FCEDHN COCCN(C)CCN1C[C@H](NC(=O)c2sccc2C#N)CC1=O ZINC000552107445 547324810 /nfs/dbraw/zinc/32/48/10/547324810.db2.gz JDCYGRFSKOTMDU-CYBMUJFWSA-N 0 3 350.444 0.529 20 30 FCEDHN COc1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1C#N ZINC000826202849 607567816 /nfs/dbraw/zinc/56/78/16/607567816.db2.gz PXSCXBMADVYJDE-GFCCVEGCSA-N 0 3 365.401 0.775 20 30 FCEDHN COc1ccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1C#N ZINC000826202849 607567818 /nfs/dbraw/zinc/56/78/18/607567818.db2.gz PXSCXBMADVYJDE-GFCCVEGCSA-N 0 3 365.401 0.775 20 30 FCEDHN C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825938693 608036649 /nfs/dbraw/zinc/03/66/49/608036649.db2.gz WCDQUMVUADYCCE-OAHLLOKOSA-N 0 3 367.417 0.642 20 30 FCEDHN C[N@@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825938693 608036650 /nfs/dbraw/zinc/03/66/50/608036650.db2.gz WCDQUMVUADYCCE-OAHLLOKOSA-N 0 3 367.417 0.642 20 30 FCEDHN C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825938693 608036651 /nfs/dbraw/zinc/03/66/51/608036651.db2.gz WCDQUMVUADYCCE-OAHLLOKOSA-N 0 3 367.417 0.642 20 30 FCEDHN C[N@@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825938693 608036652 /nfs/dbraw/zinc/03/66/52/608036652.db2.gz WCDQUMVUADYCCE-OAHLLOKOSA-N 0 3 367.417 0.642 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](NCC(=O)N2CCOCC2)C1 ZINC000970242366 663252419 /nfs/dbraw/zinc/25/24/19/663252419.db2.gz XGNIXRDJKULCDI-VYDXJSESSA-N 0 3 351.447 0.017 20 30 FCEDHN CN(CCO)CCNC(=O)COc1cccc(Br)c1C#N ZINC000899738685 665960136 /nfs/dbraw/zinc/96/01/36/665960136.db2.gz LKPZQBLYLPKXIB-UHFFFAOYSA-N 0 3 356.220 0.740 20 30 FCEDHN COCCCNC(=O)C(C#N)C(=O)Cc1c(Br)cnn1C ZINC000892461144 663931417 /nfs/dbraw/zinc/93/14/17/663931417.db2.gz BCRXXLCKKSCQLZ-VIFPVBQESA-N 0 3 357.208 0.587 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](N(C)CCN2CCNC2=O)C1 ZINC001027586077 664431632 /nfs/dbraw/zinc/43/16/32/664431632.db2.gz WYPNFUDBXHWQSQ-OAGGEKHMSA-N 0 3 350.463 0.526 20 30 FCEDHN C=C(Br)CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000171564976 666597136 /nfs/dbraw/zinc/59/71/36/666597136.db2.gz HJBYAMULLMJFRF-UHFFFAOYSA-N 0 3 359.268 0.845 20 30 FCEDHN C#CCN1CCC(C(=O)NCc2cc(S(N)(=O)=O)ccc2F)CC1 ZINC000734551138 666972749 /nfs/dbraw/zinc/97/27/49/666972749.db2.gz JLVDVLQTODZEHY-UHFFFAOYSA-N 0 3 353.419 0.435 20 30 FCEDHN C=C(Br)CNC1CC(N(C)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000999397490 667236852 /nfs/dbraw/zinc/23/68/52/667236852.db2.gz NKGIOUVSISWZEA-MMVSWEMESA-N 0 3 360.252 0.507 20 30 FCEDHN C[C@@H](CC(=O)NC[C@H](C)[NH+](C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000839785075 667728763 /nfs/dbraw/zinc/72/87/63/667728763.db2.gz SAWQIILTUUEMNP-RYUDHWBXSA-N 0 3 352.460 0.570 20 30 FCEDHN C#CCNS(=O)(=O)c1cccc(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)c1 ZINC000923309925 667824648 /nfs/dbraw/zinc/82/46/48/667824648.db2.gz PUZKBUREFWYMHY-JKSUJKDBSA-N 0 3 361.467 0.907 20 30 FCEDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000923311959 667824664 /nfs/dbraw/zinc/82/46/64/667824664.db2.gz CUYAAAATRWOPHD-LSDHHAIUSA-N 0 3 362.455 0.532 20 30 FCEDHN CNC(=O)C(C#N)C(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000744034325 668054906 /nfs/dbraw/zinc/05/49/06/668054906.db2.gz AOIPCIKHKXGRPF-GFCCVEGCSA-N 0 3 362.411 0.302 20 30 FCEDHN C=C(Br)CNC(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000787905375 668813739 /nfs/dbraw/zinc/81/37/39/668813739.db2.gz XKJNPUQALKDXOC-UHFFFAOYSA-N 0 3 361.284 0.155 20 30 FCEDHN N#Cc1ccc([C@H](O)CNCCS(=O)(=O)N2CCSCC2)cc1 ZINC000819034360 668972188 /nfs/dbraw/zinc/97/21/88/668972188.db2.gz LVQWDSGAHYHNJB-OAHLLOKOSA-N 0 3 355.485 0.560 20 30 FCEDHN C#CCN(CC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)OC(C)(C)C ZINC000824732457 669410538 /nfs/dbraw/zinc/41/05/38/669410538.db2.gz CYNNSKJAOJSHPL-LSDHHAIUSA-N 0 3 351.447 0.836 20 30 FCEDHN C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)ccc1F ZINC000825245795 669443699 /nfs/dbraw/zinc/44/36/99/669443699.db2.gz QSXCLXSUPWAMEX-OCCSQVGLSA-N 0 3 353.419 0.724 20 30 FCEDHN C[C@H](CC(=O)N[C@H]1CC[NH2+]C1(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000825269332 669444906 /nfs/dbraw/zinc/44/49/06/669444906.db2.gz JNEDFYPUIVSBBQ-RISCZKNCSA-N 0 3 364.471 0.760 20 30 FCEDHN N#CC(C(=O)Cc1c(F)cccc1F)C(=O)N1CCS(=O)(=O)CC1 ZINC000121393495 669796676 /nfs/dbraw/zinc/79/66/76/669796676.db2.gz AACMTVKORGEARU-NSHDSACASA-N 0 3 356.350 0.473 20 30 FCEDHN C[C@H](CC(=O)NCC1([NH3+])CCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000831550582 669850820 /nfs/dbraw/zinc/85/08/20/669850820.db2.gz YIMSIDZWYHZRAY-LLVKDONJSA-N 0 3 350.444 0.501 20 30 FCEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc(CCNC(C)=O)cc1 ZINC000815082434 669898758 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CC1(C)CNCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000843351966 670804011 /nfs/dbraw/zinc/80/40/11/670804011.db2.gz MITNYYGPUSKPMI-UHFFFAOYSA-N 0 3 350.444 0.326 20 30 FCEDHN C[C@H](CC(=O)N1CCN[C@H](C)[C@@H]1C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000843473749 670824346 /nfs/dbraw/zinc/82/43/46/670824346.db2.gz JLKXTXQBBBUSLG-UPJWGTAASA-N 0 3 364.471 0.713 20 30 FCEDHN C[C@@H](CC(=O)NCCC[NH2+]C1CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000843513874 670836279 /nfs/dbraw/zinc/83/62/79/670836279.db2.gz OGPSEDSLIXPMLQ-LBPRGKRZSA-N 0 3 364.471 0.762 20 30 FCEDHN C#CCN1CCC(C(=O)NCCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000105985595 671029980 /nfs/dbraw/zinc/02/99/80/671029980.db2.gz QWMFNDFZQYKRPZ-UHFFFAOYSA-N 0 3 364.467 0.930 20 30 FCEDHN C#CCN(CC(=O)N[C@H](CO)CN1CCCCC1)C(=O)OC(C)(C)C ZINC000854412477 671577458 /nfs/dbraw/zinc/57/74/58/671577458.db2.gz IDAADSGTYQLUQS-HNNXBMFYSA-N 0 3 353.463 0.820 20 30 FCEDHN C[C@H](CC(=O)N1CC(C[NH+](C)C)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000854724697 671598484 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FCEDHN C=C[C@H](C(=O)N1C[C@@H](NC(=O)Cc2nc[nH]c2C)[C@@H](O)C1)c1ccccc1 ZINC000969418376 1167943300 /nfs/dbraw/zinc/94/33/00/1167943300.db2.gz HZVAOIJMLUAORB-JQHSSLGASA-N 0 3 368.437 0.918 20 30 FCEDHN C#CC1(F)CN(C(=O)C(=O)Nc2cccc(N3CCN(CC)CC3)c2)C1 ZINC000891169752 1169423780 /nfs/dbraw/zinc/42/37/80/1169423780.db2.gz ROSWKGUOFDJPJR-UHFFFAOYSA-N 0 3 358.417 0.951 20 30 FCEDHN CCCCN1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O ZINC000970794090 1169509028 /nfs/dbraw/zinc/50/90/28/1169509028.db2.gz ANJMGOZTWSRBLZ-SQNIBIBYSA-N 0 3 361.486 0.742 20 30 FCEDHN C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001691244930 1170883464 /nfs/dbraw/zinc/88/34/64/1170883464.db2.gz GYWPWNAZLWLFRH-MELADBBJSA-N 0 3 361.446 0.669 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)C[C@H](OC)C(F)(F)F)C[C@H]1c1cnn(C)c1 ZINC001691283577 1171031996 /nfs/dbraw/zinc/03/19/96/1171031996.db2.gz GHUATVBZSHLUGG-MJBXVCDLSA-N 0 3 358.364 0.905 20 30 FCEDHN C=C(Cl)CNC[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1OCC ZINC001691322847 1171094286 /nfs/dbraw/zinc/09/42/86/1171094286.db2.gz ATZXVDOEIIYIOM-CHWSQXEVSA-N 0 3 370.837 0.155 20 30 FCEDHN C[C@@H](NC[C@@H]1C[C@H](C)CCN1C(=O)CSCC#N)C(=O)NC(N)=O ZINC001691342823 1171155070 /nfs/dbraw/zinc/15/50/70/1171155070.db2.gz QVJNKWGNZJZJGN-UTUOFQBUSA-N 0 3 355.464 0.043 20 30 FCEDHN C=C(C)CN(CC)C(=O)[C@@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)C(N)=O ZINC001691367255 1171214961 /nfs/dbraw/zinc/21/49/61/1171214961.db2.gz JBKSDXXKWMRSAY-KFWWJZLASA-N 0 3 352.479 0.502 20 30 FCEDHN C=CCN1CC[C@H](N2C[C@@H]3CCN(C(=O)c4cn(C)nc4CC)[C@@H]3C2)C1=O ZINC001075921896 1192460110 /nfs/dbraw/zinc/46/01/10/1192460110.db2.gz UIOAIJNCXXAFLO-JCGIZDLHSA-N 0 3 371.485 0.916 20 30 FCEDHN COCC#CCN[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1c1ccccc1 ZINC001211534048 1171395298 /nfs/dbraw/zinc/39/52/98/1171395298.db2.gz OGYXVQZQFPRZHN-OTWHNJEPSA-N 0 3 358.438 0.636 20 30 FCEDHN N#CC(C(=O)CCn1nnc2ccccc2c1=O)C(=O)NC1CCCC1 ZINC000051651951 1171829863 /nfs/dbraw/zinc/82/98/63/1171829863.db2.gz IZYGCAWVFCBVIM-AWEZNQCLSA-N 0 3 353.382 0.949 20 30 FCEDHN C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)c4cnc[n-]c4=O)[C@@H]3C2)C1=O ZINC001075925273 1192491455 /nfs/dbraw/zinc/49/14/55/1192491455.db2.gz CNMHCIOIKZYPCV-NWANDNLSSA-N 0 3 357.414 0.115 20 30 FCEDHN C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)c4cnc[n-]c4=O)[C@@H]3C2)C1=O ZINC001075925273 1192491463 /nfs/dbraw/zinc/49/14/63/1192491463.db2.gz CNMHCIOIKZYPCV-NWANDNLSSA-N 0 3 357.414 0.115 20 30 FCEDHN CN(Cc1ccc(OCC#N)cc1)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000972344298 1171983073 /nfs/dbraw/zinc/98/30/73/1171983073.db2.gz ZQSPYRJWNSXHSA-OIISXLGYSA-N 0 3 356.426 0.743 20 30 FCEDHN C=CCCn1cc(C(=O)N2CC[C@@H](C)C[C@H]2CN[C@H]2CCNC2=O)nn1 ZINC001087224159 1172060818 /nfs/dbraw/zinc/06/08/18/1172060818.db2.gz LDEOJPJZWRESLE-ILXRZTDVSA-N 0 3 360.462 0.573 20 30 FCEDHN COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c(C)nc[n-]c1=O)C2 ZINC001112514524 1172069115 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AOXZOLISKPCQJC-XOKHGSTOSA-N 0 3 368.437 0.567 20 30 FCEDHN CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1)N1CCCC1 ZINC001023331028 1179376800 /nfs/dbraw/zinc/37/68/00/1179376800.db2.gz DVJKBWGAHHTQRU-HUUCEWRRSA-N 0 3 359.430 0.062 20 30 FCEDHN CN(C)[C@@H](C(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21)C1CC1 ZINC000972645129 1180168458 /nfs/dbraw/zinc/16/84/58/1180168458.db2.gz WGGQJOMABZXIHQ-KBRIMQKVSA-N 0 3 355.442 0.899 20 30 FCEDHN COCC#CCN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1c1ccccc1 ZINC001211627265 1180714234 /nfs/dbraw/zinc/71/42/34/1180714234.db2.gz ANMRRTOLIZYTPE-CEXWTWQISA-N 0 3 369.465 0.747 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCN3CCC)C2)cc1 ZINC001024122489 1180852611 /nfs/dbraw/zinc/85/26/11/1180852611.db2.gz ZKPIZTWWYZXGTE-GUDVDZBRSA-N 0 3 369.465 0.844 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCN3CCC)C2)nc1 ZINC001024121066 1180854916 /nfs/dbraw/zinc/85/49/16/1180854916.db2.gz RNHVPTAQVFAXAU-KZNAEPCWSA-N 0 3 370.453 0.239 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ZINC001129695915 1201372038 /nfs/dbraw/zinc/37/20/38/1201372038.db2.gz JJOLLYAHHZCSMS-OIISXLGYSA-N 0 3 363.462 0.637 20 30 FCEDHN C=C[C@](C)(O)CC(=O)N1C[C@@H](NCCOCC(C)C)[C@@H](n2ccnn2)C1 ZINC001129795478 1201391387 /nfs/dbraw/zinc/39/13/87/1201391387.db2.gz KJJUBZMBLUTGBU-RYRKJORJSA-N 0 3 365.478 0.619 20 30 FCEDHN N#Cc1ccc(C(=O)N2C[C@@H](NCCOC3CCC3)[C@@H](n3ccnn3)C2)[nH]1 ZINC001129778028 1201395314 /nfs/dbraw/zinc/39/53/14/1201395314.db2.gz KCFIUGWGPXTFSD-SJORKVTESA-N 0 3 369.429 0.702 20 30 FCEDHN O=C(C#CC1CC1)N1C[C@@H](NCCOCC(F)(F)F)[C@@H](n2ccnn2)C1 ZINC001129822116 1201401234 /nfs/dbraw/zinc/40/12/34/1201401234.db2.gz GFANIRNWDZUVOG-KGLIPLIRSA-N 0 3 371.363 0.612 20 30 FCEDHN C=C(C)CCC(=O)N1C[C@@H](NCCN2CCCC2=O)[C@@H](n2ccnn2)C1 ZINC001129881676 1201411920 /nfs/dbraw/zinc/41/19/20/1201411920.db2.gz OPTFOZQBOHMPBN-CVEARBPZSA-N 0 3 360.462 0.598 20 30 FCEDHN C#CCC1(C(=O)N2C[C@@H](NCCOC)[C@@H](n3ccnn3)C2)CCOCC1 ZINC001129894465 1201428367 /nfs/dbraw/zinc/42/83/67/1201428367.db2.gz HHBFUCPEKLHYBR-CVEARBPZSA-N 0 3 361.446 0.086 20 30 FCEDHN N#Cc1ccc(NCCNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)nc1 ZINC000804731060 1201429694 /nfs/dbraw/zinc/42/96/94/1201429694.db2.gz IBSVZQBFIPBCCR-HNNXBMFYSA-N 0 3 356.430 0.082 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)Cc2cnccc2C)C[C@@H]1n1ccnn1 ZINC001129897848 1201431234 /nfs/dbraw/zinc/43/12/34/1201431234.db2.gz KCJNXHVJWXMSFE-MSOLQXFVSA-N 0 3 370.457 0.768 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)c2c(C)ncn2C)C[C@@H]1n1ccnn1 ZINC001129902625 1201434742 /nfs/dbraw/zinc/43/47/42/1201434742.db2.gz VVJFGLPWYIGTLG-CABCVRRESA-N 0 3 359.434 0.178 20 30 FCEDHN C=CC(C)(C)C(=O)N1C[C@@H](NCCNC(=O)C2CC2)[C@@H](n2ccnn2)C1 ZINC001129959492 1201451410 /nfs/dbraw/zinc/45/14/10/1201451410.db2.gz ZUMHZMHRNNKFOU-CABCVRRESA-N 0 3 360.462 0.358 20 30 FCEDHN C=C[C@@H](CC)CC(=O)N1C[C@@H](NCCOCCOC)[C@@H](n2ccnn2)C1 ZINC001129978222 1201460506 /nfs/dbraw/zinc/46/05/06/1201460506.db2.gz VZGQDRADRZPWGP-BBWFWOEESA-N 0 3 365.478 0.885 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C=C)C[C@@H]1n1ccnn1 ZINC001130009480 1201477354 /nfs/dbraw/zinc/47/73/54/1201477354.db2.gz QZDFUNREZVIDGO-NCOADZHNSA-N 0 3 361.446 0.413 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)CCCn2ccnc2C)C[C@@H]1n1ccnn1 ZINC001130040851 1201478302 /nfs/dbraw/zinc/47/83/02/1201478302.db2.gz PBYDMMBLDSGNFO-SJORKVTESA-N 0 3 355.446 0.628 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CNC(=O)CC2CCCC2)C[C@@H]1n1ccnn1 ZINC001130038091 1201483057 /nfs/dbraw/zinc/48/30/57/1201483057.db2.gz LGQSSAZVQJAJSP-CVEARBPZSA-N 0 3 360.462 0.502 20 30 FCEDHN C=CCOCCN[C@@H]1CN(C(=O)[C@]2(C)CCCOC2)C[C@@H]1n1ccnn1 ZINC001130062440 1201488167 /nfs/dbraw/zinc/48/81/67/1201488167.db2.gz FVRAMZCBHAVCEW-SOLBZPMBSA-N 0 3 363.462 0.639 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@@H](NCCOCC)[C@@H](n3ccnn3)C2)nc1 ZINC001130091484 1201497909 /nfs/dbraw/zinc/49/79/09/1201497909.db2.gz WIUYUJGQEPKCNO-SJORKVTESA-N 0 3 354.414 0.346 20 30 FCEDHN C#C[C@H](NC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1)[C@H]1CCCO1 ZINC000805156848 1201499740 /nfs/dbraw/zinc/49/97/40/1201499740.db2.gz DGPHKESZSIJFTN-JKSUJKDBSA-N 0 3 365.474 0.289 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CCCc2nc(CC)no2)C[C@@H]1n1ccnn1 ZINC001130123458 1201511647 /nfs/dbraw/zinc/51/16/47/1201511647.db2.gz RXCMBJGDHKTMOO-KGLIPLIRSA-N 0 3 359.434 0.774 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ocnc2C)[n-]1 ZINC001130198770 1201534603 /nfs/dbraw/zinc/53/46/03/1201534603.db2.gz ZWUOGLOXLSSORL-STQMWFEESA-N 0 3 358.402 0.517 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2=CCOCC2)[n-]1 ZINC001130204629 1201540001 /nfs/dbraw/zinc/54/00/01/1201540001.db2.gz ADRTZCOZHCWIKL-GJZGRUSLSA-N 0 3 359.430 0.253 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCCO[C@H]2C=C)[n-]1 ZINC001130213117 1201545261 /nfs/dbraw/zinc/54/52/61/1201545261.db2.gz UTDGQUQYWMAMJJ-FZKCQIBNSA-N 0 3 373.457 0.497 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C(F)F)CC2)[n-]1 ZINC001130213288 1201546116 /nfs/dbraw/zinc/54/61/16/1201546116.db2.gz YFQNELAMMWDTMF-RYUDHWBXSA-N 0 3 367.400 0.952 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2n[nH]c(C)c2C)[n-]1 ZINC001130202706 1201548667 /nfs/dbraw/zinc/54/86/67/1201548667.db2.gz GHUWPYDVHSEKHD-KBPBESRZSA-N 0 3 371.445 0.560 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H]2C[C@H]2C2CC2)[n-]1 ZINC001130223174 1201552107 /nfs/dbraw/zinc/55/21/07/1201552107.db2.gz POAYXZGZFITGRF-VGWMRTNUSA-N 0 3 357.458 0.952 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](CCC)OC)[n-]1 ZINC001130224838 1201553127 /nfs/dbraw/zinc/55/31/27/1201553127.db2.gz FAPWTPMPNIOYOM-KKUMJFAQSA-N 0 3 363.462 0.721 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CCC)OC)[n-]1 ZINC001130224839 1201553477 /nfs/dbraw/zinc/55/34/77/1201553477.db2.gz FAPWTPMPNIOYOM-ZNMIVQPWSA-N 0 3 363.462 0.721 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cncc(C#C)c2)[n-]1 ZINC001130234868 1201559248 /nfs/dbraw/zinc/55/92/48/1201559248.db2.gz MTFUHCQJIWWGNJ-HOTGVXAUSA-N 0 3 364.409 0.206 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2Cc3ccccc32)[n-]1 ZINC001130238031 1201560594 /nfs/dbraw/zinc/56/05/94/1201560594.db2.gz PSWAINYOSRYMFN-ULQDDVLXSA-N 0 3 365.437 0.856 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2oncc2C)[n-]1 ZINC001130244307 1201563738 /nfs/dbraw/zinc/56/37/38/1201563738.db2.gz GDHMXORYZBQNMD-STQMWFEESA-N 0 3 358.402 0.517 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnoc2C2CC2)[n-]1 ZINC001130246378 1201565958 /nfs/dbraw/zinc/56/59/58/1201565958.db2.gz IQTYLXQUIPPYGR-JSGCOSHPSA-N 0 3 370.413 0.695 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H](C)COC)[n-]1 ZINC001130246385 1201566001 /nfs/dbraw/zinc/56/60/01/1201566001.db2.gz IZICLFKIPHQEOO-ILXRZTDVSA-N 0 3 363.462 0.579 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](CC)NC(C)=O)CC1 ZINC001130302150 1201580715 /nfs/dbraw/zinc/58/07/15/1201580715.db2.gz PWSBKAIQHPAFES-NUJGCVRESA-N 0 3 364.490 0.563 20 30 FCEDHN C=C[C@H](O)CN1CCC2(CC1)C(=O)N([C@H](C)C(C)=O)C[C@H]2C(=O)OCC ZINC001276809146 1224684487 /nfs/dbraw/zinc/68/44/87/1224684487.db2.gz AHKWYYWTAQMTLM-KBMXLJTQSA-N 0 3 366.458 0.615 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)Cc2cnccc2OC)C[C@H]1c1cn(C)cn1 ZINC001130615066 1202731502 /nfs/dbraw/zinc/73/15/02/1202731502.db2.gz JMWPJUVYJHYYEP-FUHWJXTLSA-N 0 3 367.453 0.974 20 30 FCEDHN COCC#CCN[C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1c1cn(C)cn1 ZINC001130637822 1202741011 /nfs/dbraw/zinc/74/10/11/1202741011.db2.gz NDZODNQHCFQCEX-FUHWJXTLSA-N 0 3 370.457 0.241 20 30 FCEDHN C=CCC[C@H](C)N1C[C@@H](NC(=O)c2cncc(-n3ccnn3)c2)[C@@H](O)C1 ZINC001220070492 1224744652 /nfs/dbraw/zinc/74/46/52/1224744652.db2.gz RWPXGQBGHINUMX-XKQJLSEDSA-N 0 3 356.430 0.792 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccc(F)nc3)n[n-]2)O1 ZINC001130767891 1202786113 /nfs/dbraw/zinc/78/61/13/1202786113.db2.gz VNVDTIYUWVMDOK-QWHCGFSZSA-N 0 3 358.377 0.712 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3ccc(F)nc3)n2)O1 ZINC001130767891 1202786116 /nfs/dbraw/zinc/78/61/16/1202786116.db2.gz VNVDTIYUWVMDOK-QWHCGFSZSA-N 0 3 358.377 0.712 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccnn3C(C)C)n[n-]2)O1 ZINC001130785233 1202789026 /nfs/dbraw/zinc/78/90/26/1202789026.db2.gz HAOFAURXWXDZAE-DZGCQCFKSA-N 0 3 371.445 0.955 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3ccnn3C(C)C)n2)O1 ZINC001130785233 1202789028 /nfs/dbraw/zinc/78/90/28/1202789028.db2.gz HAOFAURXWXDZAE-DZGCQCFKSA-N 0 3 371.445 0.955 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccnn3CC)n[n-]2)O1 ZINC001130778384 1202791386 /nfs/dbraw/zinc/79/13/86/1202791386.db2.gz VVEIYKALYBRLGO-GXTWGEPZSA-N 0 3 357.418 0.394 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3ccnn3CC)n2)O1 ZINC001130778384 1202791389 /nfs/dbraw/zinc/79/13/89/1202791389.db2.gz VVEIYKALYBRLGO-GXTWGEPZSA-N 0 3 357.418 0.394 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3=CCOCC3)n[n-]2)O1 ZINC001130778279 1202791479 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C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC[C@@H](C)OC ZINC001225817551 1225825696 /nfs/dbraw/zinc/82/56/96/1225825696.db2.gz HQTIESSXGCQFBP-RBSFLKMASA-N 0 3 368.478 0.830 20 30 FCEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC1CCOCC1 ZINC001225946074 1225829026 /nfs/dbraw/zinc/82/90/26/1225829026.db2.gz AHJPNOGMNRPITO-MDZRGWNJSA-N 0 3 367.490 0.626 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCN2CCNC2=O)CC1 ZINC001096608578 1218576120 /nfs/dbraw/zinc/57/61/20/1218576120.db2.gz ZBBUVQORGFLECW-SQNIBIBYSA-N 0 3 373.501 0.078 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC1CCOCC1 ZINC001226188200 1225835572 /nfs/dbraw/zinc/83/55/72/1225835572.db2.gz PREBWEAIYOLOHK-USXIJHARSA-N 0 3 365.474 0.337 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1(c2ccccn2)CC1 ZINC001226241281 1225837338 /nfs/dbraw/zinc/83/73/38/1225837338.db2.gz XSRZOBSLGMETTC-HUUCEWRRSA-N 0 3 355.442 0.770 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2c[nH]nc21 ZINC001226267921 1225838055 /nfs/dbraw/zinc/83/80/55/1225838055.db2.gz URKRSESQTXDZGS-RBSFLKMASA-N 0 3 358.446 0.486 20 30 FCEDHN COCc1cncc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)c1 ZINC001226853045 1225856150 /nfs/dbraw/zinc/85/61/50/1225856150.db2.gz BFOITRPOXVEESO-HZPDHXFCSA-N 0 3 359.430 0.498 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1cnn2c1CCCC2 ZINC001226885585 1225856720 /nfs/dbraw/zinc/85/67/20/1225856720.db2.gz MFWYVQVVKWADJB-IAGOWNOFSA-N 0 3 371.485 0.528 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnc2n[nH]cc2c1 ZINC001226984516 1225860047 /nfs/dbraw/zinc/86/00/47/1225860047.db2.gz YEFQOPLLMNYJNL-HUUCEWRRSA-N 0 3 354.414 0.338 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cccc2ncn(C)c21 ZINC001227165262 1225865559 /nfs/dbraw/zinc/86/55/59/1225865559.db2.gz LKLFZXXVRYAVSM-HZPDHXFCSA-N 0 3 367.453 0.953 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnc2ccccn12 ZINC001227193640 1225865787 /nfs/dbraw/zinc/86/57/87/1225865787.db2.gz SSKFTQBGQCKLAA-HUUCEWRRSA-N 0 3 353.426 0.714 20 30 FCEDHN C=CCC(C)(C)C(=O)NCCN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055577605 1219085244 /nfs/dbraw/zinc/08/52/44/1219085244.db2.gz PJOAPWPVPXGDMO-HUUCEWRRSA-N 0 3 366.462 0.951 20 30 FCEDHN C=CCOc1ccccc1CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804053152 1219106759 /nfs/dbraw/zinc/10/67/59/1219106759.db2.gz HMCQBGOEIGPYBB-IAGOWNOFSA-N 0 3 373.453 0.847 20 30 FCEDHN C=CCN(CCc1ccco1)C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804057541 1219112459 /nfs/dbraw/zinc/11/24/59/1219112459.db2.gz ANPWEAQRPUGMBW-WBVHZDCISA-N 0 3 361.442 0.816 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ncnc2[nH]ccc21 ZINC001227294159 1225870023 /nfs/dbraw/zinc/87/00/23/1225870023.db2.gz HZIGQSYDIXOBKB-ZIAGYGMSSA-N 0 3 356.430 0.842 20 30 FCEDHN CCc1cc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)cc(=O)[nH]1 ZINC001227544060 1225878314 /nfs/dbraw/zinc/87/83/14/1225878314.db2.gz SGMAYTCEWLXLAK-HUUCEWRRSA-N 0 3 359.430 0.620 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(F)c[nH]1 ZINC001227564851 1225878945 /nfs/dbraw/zinc/87/89/45/1225878945.db2.gz CAYXFXXPFFDGFQ-CHWSQXEVSA-N 0 3 365.409 0.796 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1ncc2cccnc21 ZINC001227591328 1225879380 /nfs/dbraw/zinc/87/93/80/1225879380.db2.gz BDKYZAOPLPBUGU-HZPDHXFCSA-N 0 3 370.457 0.751 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cc1ccn(C(C)C)n1 ZINC001227630501 1225880103 /nfs/dbraw/zinc/88/01/03/1225880103.db2.gz HZRNWKPMWDJPKA-IAGOWNOFSA-N 0 3 359.474 0.773 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]nc1-c1ccoc1 ZINC001227663278 1225881609 /nfs/dbraw/zinc/88/16/09/1225881609.db2.gz QRTLJOQOMDBJAX-HUUCEWRRSA-N 0 3 370.413 0.940 20 30 FCEDHN C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N)c1cnn(C)c1 ZINC001227695803 1225881882 /nfs/dbraw/zinc/88/18/82/1225881882.db2.gz TXOFVFNCYLTWRV-NUEKZKHPSA-N 0 3 360.462 0.570 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2c(C)nc3ccnn3c2C)C[C@@H]1n1ccnn1 ZINC001070222007 1219303247 /nfs/dbraw/zinc/30/32/47/1219303247.db2.gz BYSYJGJWFAWLIO-CABCVRRESA-N 0 3 366.429 0.779 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)C(=O)Nc2ccccc2)C[C@@H]1n1ccnn1 ZINC001070224590 1219305483 /nfs/dbraw/zinc/30/54/83/1219305483.db2.gz OGVATSXFLFERAR-CVEARBPZSA-N 0 3 354.414 0.834 20 30 FCEDHN C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2c(C)nc[n-]c2=O)C[C@@H]1n1ccnn1 ZINC001070224591 1219305646 /nfs/dbraw/zinc/30/56/46/1219305646.db2.gz OGWITAXYULHPRB-CVEARBPZSA-N 0 3 371.445 0.633 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cncc(-n3ccnn3)c2)C[C@@H]1n1ccnn1 ZINC001070242609 1219313659 /nfs/dbraw/zinc/31/36/59/1219313659.db2.gz JVUAOPHAZRCMHA-CVEARBPZSA-N 0 3 365.401 0.095 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)CCc2nc(C3CC3)no2)C[C@@H]1n1ccnn1 ZINC001070289841 1219352664 /nfs/dbraw/zinc/35/26/64/1219352664.db2.gz YXQYZWUMDJBECJ-KGLIPLIRSA-N 0 3 357.418 0.699 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)nn2)C[C@@H]1n1ccnn1 ZINC001070294440 1219355134 /nfs/dbraw/zinc/35/51/34/1219355134.db2.gz VENFDMVHTUDTTC-CABCVRRESA-N 0 3 365.401 0.095 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnn2cccnc12 ZINC001227877843 1225889301 /nfs/dbraw/zinc/88/93/01/1225889301.db2.gz BNLAYSAMDKWXEJ-HUUCEWRRSA-N 0 3 354.414 0.109 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cnnc(C)c2)CC1 ZINC001070370636 1219401333 /nfs/dbraw/zinc/40/13/33/1219401333.db2.gz DCXDLXAHTVGOLX-MJGOQNOKSA-N 0 3 369.469 0.897 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2CC(OC)C2)CC1 ZINC001070372808 1219402425 /nfs/dbraw/zinc/40/24/25/1219402425.db2.gz IBHOPFPRWCIIFB-WXVPWVKJSA-N 0 3 361.486 0.910 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cncn2C)CC1 ZINC001070373800 1219402779 /nfs/dbraw/zinc/40/27/79/1219402779.db2.gz DLUNTLDADRKZJS-QAPCUYQASA-N 0 3 357.458 0.532 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2cn[nH]c(=O)c2)CC1 ZINC001070373920 1219403041 /nfs/dbraw/zinc/40/30/41/1219403041.db2.gz JTEBUOXXRWKTIE-QAPCUYQASA-N 0 3 371.441 0.295 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CCC(=O)N2C)CC1 ZINC001070376308 1219404159 /nfs/dbraw/zinc/40/41/59/1219404159.db2.gz VSCZLONALXIHNQ-VKJFTORMSA-N 0 3 362.474 0.269 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2n[nH]cc2F)CC1 ZINC001070378363 1219405352 /nfs/dbraw/zinc/40/53/52/1219405352.db2.gz MUKCRARYHJWGHG-ZBFHGGJFSA-N 0 3 361.421 0.661 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@@H]2CCC(=O)N2)CC1 ZINC001070380398 1219406002 /nfs/dbraw/zinc/40/60/02/1219406002.db2.gz DTJSVSIXEVVWPN-KHYOSLBOSA-N 0 3 362.474 0.317 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cn(CCOC)nn2)C[C@H]1c1cn(C)cn1 ZINC001070490167 1219435523 /nfs/dbraw/zinc/43/55/23/1219435523.db2.gz AGVPYXIWQRMPKY-DZGCQCFKSA-N 0 3 359.434 0.042 20 30 FCEDHN Cn1cnc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2NCc2cncn2C)c1 ZINC001070491773 1219437520 /nfs/dbraw/zinc/43/75/20/1219437520.db2.gz FHFGJRCJCJGFDP-FUHWJXTLSA-N 0 3 352.442 0.651 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@H]1c1cn(C)cn1 ZINC001070510812 1219447105 /nfs/dbraw/zinc/44/71/05/1219447105.db2.gz UNZUYCCTGGQKHG-OFQRWUPVSA-N 0 3 360.462 0.281 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)Cn2cnc3c2CCCC3)C[C@H]1c1cn(C)cn1 ZINC001070513440 1219448500 /nfs/dbraw/zinc/44/85/00/1219448500.db2.gz OJNDNSPGVDWMCG-MAUKXSAKSA-N 0 3 366.469 0.713 20 30 FCEDHN C=C(C)C[NH2+][C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1c1cn(C)cn1 ZINC001070524949 1219453054 /nfs/dbraw/zinc/45/30/54/1219453054.db2.gz LJFWSZSFLLQMHT-DZGCQCFKSA-N 0 3 356.430 0.998 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2c(C)c[nH]c2CC(N)=O)C[C@H]1c1cn(C)cn1 ZINC001070538342 1219458376 /nfs/dbraw/zinc/45/83/76/1219458376.db2.gz QHFZFLLOPAHGHI-XJKSGUPXSA-N 0 3 370.457 0.468 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnc2n1CCCC2 ZINC001228151464 1225897646 /nfs/dbraw/zinc/89/76/46/1225897646.db2.gz VQZBGNWMHYPODI-HUUCEWRRSA-N 0 3 357.458 0.599 20 30 FCEDHN CC(C)c1nc(CN[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2c2cncn2C)n[nH]1 ZINC001070630238 1219495074 /nfs/dbraw/zinc/49/50/74/1219495074.db2.gz ICRSCKUXDHOIPY-MGPQQGTHSA-N 0 3 370.461 0.905 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)C[C@@H](C)N2CCCCC2=O)C[C@H]1c1cncn1C ZINC001070648127 1219506167 /nfs/dbraw/zinc/50/61/67/1219506167.db2.gz VQHJLRCFOFGWMI-BRWVUGGUSA-N 0 3 371.485 0.728 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)Cc2cn3c(n2)CCCC3)C[C@H]1c1cncn1C ZINC001070648974 1219507344 /nfs/dbraw/zinc/50/73/44/1219507344.db2.gz HHXFBADBAYJWPW-IAGOWNOFSA-N 0 3 366.469 0.713 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@H]2CCn3cc(C)nc3C2)C[C@H]1c1cncn1C ZINC001070659304 1219511997 /nfs/dbraw/zinc/51/19/97/1219511997.db2.gz GBXZNHQJUDDRDS-GVDBMIGSSA-N 0 3 366.469 0.705 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)C(C)(C)n2cnc(C)c2)C[C@H]1c1cncn1C ZINC001070659348 1219512192 /nfs/dbraw/zinc/51/21/92/1219512192.db2.gz IKCQQAWJIDHWKG-HZPDHXFCSA-N 0 3 354.458 0.878 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCc3nccn3C2)C[C@H]1c1cncn1C ZINC001070661898 1219513107 /nfs/dbraw/zinc/51/31/07/1219513107.db2.gz HBIPFVGRXJKUQJ-BZUAXINKSA-N 0 3 352.442 0.396 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2ncn(C(C)(C)C)n2)C[C@H]1c1cncn1C ZINC001070689950 1219527681 /nfs/dbraw/zinc/52/76/81/1219527681.db2.gz YXCGJHCQUFPLAJ-ZIAGYGMSSA-N 0 3 355.446 0.598 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cc(C)c(C(N)=O)cn2)C[C@H]1c1cncn1C ZINC001070692849 1219528390 /nfs/dbraw/zinc/52/83/90/1219528390.db2.gz ACEPSUSGBKVZHM-GDBMZVCRSA-N 0 3 366.425 0.053 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)C2)C[C@H]1c1cncn1C ZINC001070709342 1219536567 /nfs/dbraw/zinc/53/65/67/1219536567.db2.gz BPHDSWVNVWANGI-BZUAXINKSA-N 0 3 359.474 0.749 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCCCN(C)C2=O)C[C@H]1c1cncn1C ZINC001070709593 1219536953 /nfs/dbraw/zinc/53/69/53/1219536953.db2.gz OEALSFIQIAGQMT-BZUAXINKSA-N 0 3 357.458 0.196 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2cccnc21 ZINC001228205737 1225900324 /nfs/dbraw/zinc/90/03/24/1225900324.db2.gz DMMLEYPPTUAMHR-BRWVUGGUSA-N 0 3 354.454 0.878 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2cccnc21 ZINC001228206636 1225900742 /nfs/dbraw/zinc/90/07/42/1225900742.db2.gz 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ZINC001331729183 1266274756 /nfs/dbraw/zinc/27/47/56/1266274756.db2.gz CBOLNGDUBFJDOI-NXHRZFHOSA-N 0 3 368.437 0.579 20 30 FCEDHN C#CCOC[C@H](O)CN1CC[C@@H]2CN(C(=O)c3ccco3)CCO[C@@H]2C1 ZINC001251844654 1259766160 /nfs/dbraw/zinc/76/61/60/1259766160.db2.gz VGNLMDHQRBGNKT-JFIYKMOQSA-N 0 3 362.426 0.453 20 30 FCEDHN C[C@](O)(CN[C@@H]1CNC(=O)C1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001252337388 1259782966 /nfs/dbraw/zinc/78/29/66/1259782966.db2.gz SDQSMIBXSVWFGL-NHYWBVRUSA-N 0 3 370.331 0.745 20 30 FCEDHN C=CCOC[C@@H](O)CN1CCc2ncnc(N3CCN(C)CC3)c2CC1 ZINC001252466164 1259791810 /nfs/dbraw/zinc/79/18/10/1259791810.db2.gz MXMVHSPHUGIIGN-INIZCTEOSA-N 0 3 361.490 0.193 20 30 FCEDHN COCCN1CCC(NC(=O)C(=O)Nc2cc(C)nn2CCC#N)CC1 ZINC001253369879 1259836932 /nfs/dbraw/zinc/83/69/32/1259836932.db2.gz UGVAYBMYNDBPRY-UHFFFAOYSA-N 0 3 362.434 0.271 20 30 FCEDHN C=C[C@H](O)CN1CCOC[C@]2(CC[C@H](CNC(=O)c3cnccn3)O2)C1 ZINC001253577776 1259843100 /nfs/dbraw/zinc/84/31/00/1259843100.db2.gz 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N#CCC1CN(C(=O)c2n[nH]c3c2CN(CCN2CCOCC2)CC3)C1 ZINC001279770704 1260933018 /nfs/dbraw/zinc/93/30/18/1260933018.db2.gz DKGLHCYRAJTNIG-UHFFFAOYSA-N 0 3 358.446 0.086 20 30 FCEDHN N#CC1(NC(=O)C[C@@H]2C[C@@H]3CN(CCN4CCOCC4)C[C@@H]3O2)CCC1 ZINC001279772989 1260933820 /nfs/dbraw/zinc/93/38/20/1260933820.db2.gz WQHUREQOOUIQQE-IKGGRYGDSA-N 0 3 362.474 0.360 20 30 FCEDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N)c2C#N)CC1 ZINC001307074409 1263195115 /nfs/dbraw/zinc/19/51/15/1263195115.db2.gz BZZYKJDFQHFZRK-OAHLLOKOSA-N 0 3 358.402 0.791 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccnn2C[C@@H]2CCOC2)CC1 ZINC001319347674 1263681639 /nfs/dbraw/zinc/68/16/39/1263681639.db2.gz MSOLLLUHCTVGPY-AWEZNQCLSA-N 0 3 361.446 0.625 20 30 FCEDHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCC#Cc2ccccc2)CC1 ZINC001321973834 1264115741 /nfs/dbraw/zinc/11/57/41/1264115741.db2.gz YELUOOCDUMUSKR-SFHVURJKSA-N 0 3 370.497 0.544 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H](OCC)[C@@]23CCCO3)CC1 ZINC001323246384 1264376929 /nfs/dbraw/zinc/37/69/29/1264376929.db2.gz MMLKIUOTNAKHSB-GPMSIDNRSA-N 0 3 365.474 0.596 20 30 FCEDHN Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@H](N4CC[C@@H](O)C4)C3)CC2)o1 ZINC001325270549 1264829644 /nfs/dbraw/zinc/82/96/44/1264829644.db2.gz JHQOHDGALYVRRJ-JKSUJKDBSA-N 0 3 373.457 0.739 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC(O[C@H]3CCOC3)CC2)CC1 ZINC001326280524 1265092220 /nfs/dbraw/zinc/09/22/20/1265092220.db2.gz PXSJXGWCBNWOCS-KRWDZBQOSA-N 0 3 365.474 0.550 20 30 FCEDHN C[C@@H](CNC(=O)C(=O)NCc1ccc(C#N)cc1)CN1CCN(C)CC1 ZINC001327694316 1265396672 /nfs/dbraw/zinc/39/66/72/1265396672.db2.gz CBIUTSJUTMFFEI-HNNXBMFYSA-N 0 3 357.458 0.174 20 30 FCEDHN CC[C@H](C)N1CCN(c2nnc(C[C@H](O)CC#N)n2CCOC)CC1 ZINC001523470354 1266631867 /nfs/dbraw/zinc/63/18/67/1266631867.db2.gz ZSRUKGCEKWLNAI-LSDHHAIUSA-N 0 3 350.467 0.662 20 30 FCEDHN C#CCC(C)(C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C ZINC001338503405 1267963141 /nfs/dbraw/zinc/96/31/41/1267963141.db2.gz NXFCUOGLUSPTRN-UHFFFAOYSA-N 0 3 358.490 0.860 20 30 FCEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC001338851316 1268106915 /nfs/dbraw/zinc/10/69/15/1268106915.db2.gz LKRJCCJMMSFQDK-KKUMJFAQSA-N 0 3 360.462 0.367 20 30 FCEDHN C=CCn1c(N2CCN(C[C@H]3CCOC3)CC2)nnc1[C@](C)(O)COC ZINC001339096983 1268167445 /nfs/dbraw/zinc/16/74/45/1268167445.db2.gz KSNVKBOZCYXGOO-CRAIPNDOSA-N 0 3 365.478 0.477 20 30 FCEDHN C=CCn1c(Cn2cc(CCO)nn2)nnc1N1CCN(CC(C)C)CC1 ZINC001339135456 1268173826 /nfs/dbraw/zinc/17/38/26/1268173826.db2.gz ANAOLGXEEBTSMG-UHFFFAOYSA-N 0 3 374.493 0.417 20 30 FCEDHN C=CCn1c(-c2cn(CCO)nn2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001339138331 1268175091 /nfs/dbraw/zinc/17/50/91/1268175091.db2.gz VTRLVDFXHMOIML-KBPBESRZSA-N 0 3 360.466 0.634 20 30 FCEDHN C=CCn1c([C@H]2CCCN(C)C2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001339483579 1268248201 /nfs/dbraw/zinc/24/82/01/1268248201.db2.gz ABUXDPQWNKWFTQ-AWEZNQCLSA-N 0 3 368.507 0.355 20 30 FCEDHN C=CCn1c(-c2c[nH]nn2)nnc1N1CCN(CCOCCOC)CC1 ZINC001339639691 1268290719 /nfs/dbraw/zinc/29/07/19/1268290719.db2.gz RQQMJEOEMRRTLA-UHFFFAOYSA-N 0 3 362.438 0.034 20 30 FCEDHN C=CCn1c([C@@H]2CCC(=O)NC2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001339743978 1268316027 /nfs/dbraw/zinc/31/60/27/1268316027.db2.gz KSSYYHXJBIMVFJ-OAHLLOKOSA-N 0 3 374.489 0.759 20 30 FCEDHN Cc1cc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)nn1CCC#N ZINC001341493587 1269030853 /nfs/dbraw/zinc/03/08/53/1269030853.db2.gz DQRZVFSJPZGJKF-UONOGXRCSA-N 0 3 360.418 0.023 20 30 FCEDHN C=C(C)Cn1c([C@H](O)COC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001341713394 1269164683 /nfs/dbraw/zinc/16/46/83/1269164683.db2.gz TYKPKEJHOBCFTE-JKSUJKDBSA-N 0 3 365.478 0.693 20 30 FCEDHN C=C(C)Cn1c(CCO)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001342662894 1269555439 /nfs/dbraw/zinc/55/54/39/1269555439.db2.gz SOOXAXWIYNETAM-HNNXBMFYSA-N 0 3 362.478 0.132 20 30 FCEDHN COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC001342752713 1269591066 /nfs/dbraw/zinc/59/10/66/1269591066.db2.gz XCGMOCLEQGJTHH-KRWDZBQOSA-N 0 3 358.442 0.698 20 30 FCEDHN COCCn1c([C@@H]2C[C@@H]2C#N)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001342834056 1269632781 /nfs/dbraw/zinc/63/27/81/1269632781.db2.gz VYGGAZPWXUTSHQ-BZUAXINKSA-N 0 3 360.462 0.710 20 30 FCEDHN C=C(C)Cn1c(N2C[C@H]3[C@H](C2)S(=O)(=O)C[C@H]3N)nnc1C(C)(C)C ZINC001574845046 1271593205 /nfs/dbraw/zinc/59/32/05/1271593205.db2.gz VDTZDNMBQLHMOS-UPJWGTAASA-N 0 3 353.492 0.712 20 30 FCEDHN C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CCN(CCc2cn[nH]n2)CC1 ZINC001574928471 1271680531 /nfs/dbraw/zinc/68/05/31/1271680531.db2.gz NXRHTSWTTACKHC-LFDJNIOPSA-N 0 3 369.469 0.697 20 30 FCEDHN C=CCCC(=O)NC[C@]1(C)CCCN([C@@H](C)C(=O)NCc2c[nH]nn2)C1 ZINC001575084902 1271713577 /nfs/dbraw/zinc/71/35/77/1271713577.db2.gz BYAKFQZHAICHPB-KSSFIOAISA-N 0 3 362.478 0.994 20 30 FCEDHN C=CCCC(=O)NC[C@]1(C)CCCN([C@H](C)C(=O)NCc2c[nH]nn2)C1 ZINC001575084901 1271714210 /nfs/dbraw/zinc/71/42/10/1271714210.db2.gz BYAKFQZHAICHPB-KDOFPFPSSA-N 0 3 362.478 0.994 20 30 FCEDHN C=CCCN1CCC(N(Cc2cn[nH]n2)C(=O)CS(=O)(=O)CC)CC1 ZINC001575097819 1271717400 /nfs/dbraw/zinc/71/74/00/1271717400.db2.gz SDQYGFRSKVFZTN-UHFFFAOYSA-N 0 3 369.491 0.609 20 30 FCEDHN C=CCN1CC[C@@H](N2CCC[C@H]2CNC(=O)CCCc2cn[nH]n2)C1=O ZINC001575103422 1271718830 /nfs/dbraw/zinc/71/88/30/1271718830.db2.gz BSECRUJLULSMCZ-JKSUJKDBSA-N 0 3 360.462 0.495 20 30 FCEDHN C=CCN1CC[C@@H](N2CCC[C@H]2CNC(=O)CCCc2c[nH]nn2)C1=O ZINC001575103422 1271718836 /nfs/dbraw/zinc/71/88/36/1271718836.db2.gz BSECRUJLULSMCZ-JKSUJKDBSA-N 0 3 360.462 0.495 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H](CC)CNC(=O)c1cncc(-c2c[nH]nn2)c1 ZINC001575104994 1271720728 /nfs/dbraw/zinc/72/07/28/1271720728.db2.gz ZGAHAIPPJLHTNH-DOMZBBRYSA-N 0 3 371.445 0.655 20 30 FCEDHN COCC#CCNCCOCCN(C)C(=O)c1ccc(-c2c[nH]nn2)cc1 ZINC001576952085 1273971477 /nfs/dbraw/zinc/97/14/77/1273971477.db2.gz DXOFDYREXLIMCK-UHFFFAOYSA-N 0 3 371.441 0.800 20 30 FCEDHN Cn1cc([C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2NCc2c[nH]nn2)cn1 ZINC001577658726 1274669735 /nfs/dbraw/zinc/66/97/35/1274669735.db2.gz LJEGQIJCEDRXCX-JKSUJKDBSA-N 0 3 355.446 0.672 20 30 FCEDHN CCOC(=O)CON=C(C(=O)N1[C@H](C)CN[C@H](C)[C@@H]1C)c1ccn[nH]1 ZINC001577954512 1275176371 /nfs/dbraw/zinc/17/63/71/1275176371.db2.gz OUHDQXYBPJJZPG-UTUOFQBUSA-N 0 3 351.407 0.291 20 30 FCEDHN CN1CCC([N@@H+]2CC[C@H](Nc3cnc(-c4nnn[n-]4)c(C#N)n3)C2)CC1 ZINC001579350032 1277205833 /nfs/dbraw/zinc/20/58/33/1277205833.db2.gz WLEHWBAVAADYIE-NSHDSACASA-N 0 3 354.422 0.109 20 30 FCEDHN CN1CCC([N@H+]2CC[C@H](Nc3cnc(-c4nnn[n-]4)c(C#N)n3)C2)CC1 ZINC001579350032 1277205836 /nfs/dbraw/zinc/20/58/36/1277205836.db2.gz WLEHWBAVAADYIE-NSHDSACASA-N 0 3 354.422 0.109 20 30 FCEDHN COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H](C)C#N)C2)cc1-c1nnn[n-]1 ZINC001580030127 1277996606 /nfs/dbraw/zinc/99/66/06/1277996606.db2.gz MOZWAKVKPBRYRG-WCFLWFBJSA-N 0 3 355.402 0.772 20 30 FCEDHN COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H](C)C#N)C2)cc1-c1nn[n-]n1 ZINC001580030127 1277996607 /nfs/dbraw/zinc/99/66/07/1277996607.db2.gz MOZWAKVKPBRYRG-WCFLWFBJSA-N 0 3 355.402 0.772 20 30 FCEDHN N#CC1(C[C@@H](O)C[N@@H+]2CC[C@@H](Oc3ccc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001581856949 1280607707 /nfs/dbraw/zinc/60/77/07/1280607707.db2.gz KLAUHHLAFVNFTG-ZIAGYGMSSA-N 0 3 355.402 0.770 20 30 FCEDHN N#CC1(C[C@@H](O)C[N@H+]2CC[C@@H](Oc3ccc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001581856949 1280607713 /nfs/dbraw/zinc/60/77/13/1280607713.db2.gz KLAUHHLAFVNFTG-ZIAGYGMSSA-N 0 3 355.402 0.770 20 30 FCEDHN C#CCN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC[NH+](C[C@@H](C)OC)CC1 ZINC001588348551 1282442050 /nfs/dbraw/zinc/44/20/50/1282442050.db2.gz AYHUBXAOHRRGKT-CYBMUJFWSA-N 0 3 371.445 0.770 20 30 FCEDHN C#CCN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC[NH+](C[C@@H](C)OC)CC1 ZINC001588348551 1282442056 /nfs/dbraw/zinc/44/20/56/1282442056.db2.gz AYHUBXAOHRRGKT-CYBMUJFWSA-N 0 3 371.445 0.770 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001588354815 1282449217 /nfs/dbraw/zinc/44/92/17/1282449217.db2.gz ABHHOIDCKWGFOQ-SWLSCSKDSA-N 0 3 372.404 0.735 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001588354815 1282449222 /nfs/dbraw/zinc/44/92/22/1282449222.db2.gz ABHHOIDCKWGFOQ-SWLSCSKDSA-N 0 3 372.404 0.735 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@H](C)CC[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588355177 1282453705 /nfs/dbraw/zinc/45/37/05/1282453705.db2.gz FWHIJXKUJUZLDZ-ZIAGYGMSSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@H](C)C(=O)N[C@H](C)CC[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001588355177 1282453708 /nfs/dbraw/zinc/45/37/08/1282453708.db2.gz FWHIJXKUJUZLDZ-ZIAGYGMSSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001588356636 1282460458 /nfs/dbraw/zinc/46/04/58/1282460458.db2.gz YVRRRSNRENHHTE-NEPJUHHUSA-N 0 3 360.393 0.638 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001588356636 1282460465 /nfs/dbraw/zinc/46/04/65/1282460465.db2.gz YVRRRSNRENHHTE-NEPJUHHUSA-N 0 3 360.393 0.638 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001588358189 1282469411 /nfs/dbraw/zinc/46/94/11/1282469411.db2.gz VANHMWCBHJQWKQ-SUMWQHHRSA-N 0 3 368.441 0.889 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NC[C@@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001588358189 1282469414 /nfs/dbraw/zinc/46/94/14/1282469414.db2.gz VANHMWCBHJQWKQ-SUMWQHHRSA-N 0 3 368.441 0.889 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588358514 1282471138 /nfs/dbraw/zinc/47/11/38/1282471138.db2.gz YMSYATWIZXWZHU-HUUCEWRRSA-N 0 3 368.441 0.843 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588358514 1282471143 /nfs/dbraw/zinc/47/11/43/1282471143.db2.gz YMSYATWIZXWZHU-HUUCEWRRSA-N 0 3 368.441 0.843 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001588358514 1282471147 /nfs/dbraw/zinc/47/11/47/1282471147.db2.gz YMSYATWIZXWZHU-HUUCEWRRSA-N 0 3 368.441 0.843 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001588358514 1282471150 /nfs/dbraw/zinc/47/11/50/1282471150.db2.gz YMSYATWIZXWZHU-HUUCEWRRSA-N 0 3 368.441 0.843 20 30 FCEDHN C#CCOCCC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588360898 1282480146 /nfs/dbraw/zinc/48/01/46/1282480146.db2.gz XQLIZROADVNBAY-CQSZACIVSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCOCCC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001588360898 1282480150 /nfs/dbraw/zinc/48/01/50/1282480150.db2.gz XQLIZROADVNBAY-CQSZACIVSA-N 0 3 356.430 0.843 20 30 FCEDHN C#CCOCCC(=O)NC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001588361236 1282481684 /nfs/dbraw/zinc/48/16/84/1282481684.db2.gz IECCOGCUNUKOQB-LBPRGKRZSA-N 0 3 360.393 0.640 20 30 FCEDHN C#CCOCCC(=O)NC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001588361236 1282481693 /nfs/dbraw/zinc/48/16/93/1282481693.db2.gz IECCOGCUNUKOQB-LBPRGKRZSA-N 0 3 360.393 0.640 20 30 FCEDHN C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001588658693 1282611362 /nfs/dbraw/zinc/61/13/62/1282611362.db2.gz QNJWDTROSHORNG-CHWSQXEVSA-N 0 3 372.433 0.128 20 30 FCEDHN C=CCNC(=O)C[NH2+]C1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001588659336 1282611811 /nfs/dbraw/zinc/61/18/11/1282611811.db2.gz KZZGWMPWNAJSEF-UHFFFAOYSA-N 0 3 372.433 0.081 20 30 FCEDHN COC(=O)[C@@]1(C)CCN(C(=O)C(C#N)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591244490 1284394169 /nfs/dbraw/zinc/39/41/69/1284394169.db2.gz VAQYYQAWNBVJEO-KSSFIOAISA-N 0 3 368.397 0.961 20 30 FCEDHN COCC#CC[N@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001591361390 1284497304 /nfs/dbraw/zinc/49/73/04/1284497304.db2.gz KXDBVIGBKMDWFT-ZDUSSCGKSA-N 0 3 357.418 0.239 20 30 FCEDHN COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001591361390 1284497311 /nfs/dbraw/zinc/49/73/11/1284497311.db2.gz KXDBVIGBKMDWFT-ZDUSSCGKSA-N 0 3 357.418 0.239 20 30 FCEDHN C[NH+](C)CCCNC(=S)NN=Cc1c(F)cc(-c2nnn[n-]2)cc1F ZINC001609267788 1289032247 /nfs/dbraw/zinc/03/22/47/1289032247.db2.gz MUJAYIKQYMHDCH-UHFFFAOYSA-N 0 3 368.417 0.895 20 30 FCEDHN C[NH+](C)CCCNC(=S)NN=Cc1c(F)cc(-c2nn[n-]n2)cc1F ZINC001609267788 1289032253 /nfs/dbraw/zinc/03/22/53/1289032253.db2.gz MUJAYIKQYMHDCH-UHFFFAOYSA-N 0 3 368.417 0.895 20 30 FCEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC001602853997 1287138692 /nfs/dbraw/zinc/13/86/92/1287138692.db2.gz PSZZMDLKAHBYNW-CHWSQXEVSA-N 0 3 371.445 0.623 20 30 FCEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC001602853997 1287138699 /nfs/dbraw/zinc/13/86/99/1287138699.db2.gz PSZZMDLKAHBYNW-CHWSQXEVSA-N 0 3 371.445 0.623 20 30 FCEDHN Cc1nc(C#N)c(-c2nnn[n-]2)n1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC001606023962 1288131785 /nfs/dbraw/zinc/13/17/85/1288131785.db2.gz PSZDIALFHQORPY-UHFFFAOYSA-N 0 3 357.422 0.232 20 30 FCEDHN Cc1nc(C#N)c(-c2nn[n-]n2)n1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC001606023962 1288131790 /nfs/dbraw/zinc/13/17/90/1288131790.db2.gz PSZDIALFHQORPY-UHFFFAOYSA-N 0 3 357.422 0.232 20 30 FCEDHN N#Cc1ccc([C@H](C(=O)[O-])N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC001608199276 1288788936 /nfs/dbraw/zinc/78/89/36/1288788936.db2.gz AANGVRYYILPUBP-XUWVNRHRSA-N 0 3 356.382 0.551 20 30 FCEDHN N#CCNC(=O)CN[C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001692321938 1289446215 /nfs/dbraw/zinc/44/62/15/1289446215.db2.gz IAZDUDAQUNQLGJ-RRFJBIMHSA-N 0 3 358.446 0.514 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CCN(C)CC(=O)NC(N)=O)CC1 ZINC001698955177 1289539499 /nfs/dbraw/zinc/53/94/99/1289539499.db2.gz BMGKPMRZSVFPBL-CABCVRRESA-N 0 3 366.462 0.333 20 30 FCEDHN COCCN(C)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1 ZINC001619880721 1289966153 /nfs/dbraw/zinc/96/61/53/1289966153.db2.gz BURQVDJPQDOSTP-HUUCEWRRSA-N 0 3 364.450 0.089 20 30 FCEDHN COCCN(C)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1 ZINC001619880720 1289966412 /nfs/dbraw/zinc/96/64/12/1289966412.db2.gz BURQVDJPQDOSTP-GJZGRUSLSA-N 0 3 364.450 0.089 20 30 FCEDHN CC#CCNCCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001752926830 1290616830 /nfs/dbraw/zinc/61/68/30/1290616830.db2.gz ZRUFCJZBPXQPEN-ARFHVFGLSA-N 0 3 357.458 0.481 20 30 FCEDHN COCCN1CCC(NC(=O)N2CCC(C#N)(C(=O)OC)CC2)CC1 ZINC001677752721 1292244185 /nfs/dbraw/zinc/24/41/85/1292244185.db2.gz UOKWNBANYMHHMP-UHFFFAOYSA-N 0 3 352.435 0.586 20 30 FCEDHN C#CCNC(=O)[C@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)CCn1cccn1 ZINC001689080786 1294600434 /nfs/dbraw/zinc/60/04/34/1294600434.db2.gz KXPCJSLIEFPGNU-IKGGRYGDSA-N 0 3 359.474 0.628 20 30 FCEDHN C=CCOCC(=O)N1CC[C@@H](C)C[C@H]1CNCC(=O)N1CCO[C@@H](C)C1 ZINC001689083687 1294602856 /nfs/dbraw/zinc/60/28/56/1294602856.db2.gz OISZEYFQZBKKCJ-IKGGRYGDSA-N 0 3 367.490 0.653 20 30 FCEDHN C#CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)c1ncc(F)cc1F ZINC001689093303 1294612756 /nfs/dbraw/zinc/61/27/56/1294612756.db2.gz YFUFSQWHVYKXKU-OCCSQVGLSA-N 0 3 364.396 0.940 20 30 FCEDHN COCC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCc4cnn(C)c4C3)C[C@@H]2C1 ZINC001689230188 1294689575 /nfs/dbraw/zinc/68/95/75/1294689575.db2.gz RCXZMAYNFPIDFY-QRQLOZEOSA-N 0 3 370.497 0.955 20 30 FCEDHN C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H](C)Cc3cnc[nH]3)C[C@@H]2C1 ZINC001689232283 1294690983 /nfs/dbraw/zinc/69/09/83/1294690983.db2.gz AORXBGDWEJPDNP-OAGGEKHMSA-N 0 3 357.458 0.118 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@H]3CCN(CCNC(=O)C4CC4)C[C@H]3C2)nc1 ZINC001689236437 1294696915 /nfs/dbraw/zinc/69/69/15/1294696915.db2.gz DZZHRXARXWOHSX-MSOLQXFVSA-N 0 3 366.465 0.983 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@@H](C)CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001690601745 1294873110 /nfs/dbraw/zinc/87/31/10/1294873110.db2.gz IOHBEVSPCOEUGN-DAYGRLMNSA-N 0 3 350.463 0.802 20 30 FCEDHN C[C@@H]1CCN(C(=O)c2n[nH]c3c2CCC3)[C@H](CNCC(=O)NCC#N)C1 ZINC001691824078 1294928558 /nfs/dbraw/zinc/92/85/58/1294928558.db2.gz LHIVHXQYNDWBJX-OLZOCXBDSA-N 0 3 358.446 0.368 20 30 FCEDHN C=C(Cl)CN[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001070207876 837634282 /nfs/dbraw/zinc/63/42/82/837634282.db2.gz SYWSMNVXAPNACA-KGLIPLIRSA-N 0 3 352.870 0.856 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)C2CCS(=O)(=O)CC2)C[C@@H]1n1ccnn1 ZINC001070286996 837643369 /nfs/dbraw/zinc/64/33/69/837643369.db2.gz KAYPGLLQAIFLKO-CABCVRRESA-N 0 3 367.475 0.021 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)c2csnn2)CC1 ZINC001070375235 837650764 /nfs/dbraw/zinc/65/07/64/837650764.db2.gz VNMWUCVOFGGSFU-CJNGLKHVSA-N 0 3 361.471 0.650 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)C[C@H]1c1cn(C)cn1 ZINC001070565492 837658965 /nfs/dbraw/zinc/65/89/65/837658965.db2.gz XUINSWRYSASDEM-CFVMTHIKSA-N 0 3 352.460 0.067 20 30 FCEDHN C=CCCn1cc(C(=O)N2C[C@@H](C(F)(F)F)[C@H](NC[C@@H](C)O)C2)nn1 ZINC001099319077 844019992 /nfs/dbraw/zinc/01/99/92/844019992.db2.gz NYYMNAXQZOIOFE-IJLUTSLNSA-N 0 3 361.368 0.828 20 30 FCEDHN CC(C)C#CC(=O)N1C[C@H]2CN(CCCS(=O)(=O)N(C)C)C[C@@]2(C)C1 ZINC001101230852 844111902 /nfs/dbraw/zinc/11/19/02/844111902.db2.gz MNQVNANQODEAIH-AEFFLSMTSA-N 0 3 369.531 0.708 20 30 FCEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCS(N)(=O)=O ZINC000750003402 836401105 /nfs/dbraw/zinc/40/11/05/836401105.db2.gz YIHKKLJWDRBRIU-UHFFFAOYSA-N 0 3 359.521 0.873 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC[C@@H]1CNC(=O)CN(C)CCC ZINC001061739504 836713198 /nfs/dbraw/zinc/71/31/98/836713198.db2.gz AZAYFWPNMKKERW-XHSDSOJGSA-N 0 3 353.463 0.263 20 30 FCEDHN C#CCN1CCC(C(=O)N2CC[C@H]3CN(Cc4cnns4)C[C@H]32)CC1 ZINC001076605901 838028097 /nfs/dbraw/zinc/02/80/97/838028097.db2.gz YQGXODZHOOTMIW-DOTOQJQBSA-N 0 3 359.499 0.916 20 30 FCEDHN C=CCN1CC[C@H](N2C[C@@H](CNC(=O)COCCOC)[C@H](C)C2)C1=O ZINC001101829884 844286204 /nfs/dbraw/zinc/28/62/04/844286204.db2.gz DKXGOOGLXINSSY-OAGGEKHMSA-N 0 3 353.463 0.120 20 30 FCEDHN C[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1CNC(=O)CN1CN=NC1=O ZINC001101902389 844317635 /nfs/dbraw/zinc/31/76/35/844317635.db2.gz NJCNKMKFHRGQGF-VXGBXAGGSA-N 0 3 360.443 0.801 20 30 FCEDHN C=C(C)CN(CC)C(=O)CN1C[C@@H](CNC(=O)CC(=O)NC)[C@H](C)C1 ZINC001101908134 844320869 /nfs/dbraw/zinc/32/08/69/844320869.db2.gz FDUBUWYGZDENMF-HUUCEWRRSA-N 0 3 352.479 0.231 20 30 FCEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC001077447526 838972312 /nfs/dbraw/zinc/97/23/12/838972312.db2.gz BNUZLBFHRRZPLK-KZNAEPCWSA-N 0 3 351.491 0.615 20 30 FCEDHN C#CCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)c2c(C)[nH]nc2Cl)[C@H](C)C1 ZINC001102029460 844388271 /nfs/dbraw/zinc/38/82/71/844388271.db2.gz OMIUGJLMJYCFHK-KGYLQXTDSA-N 0 3 365.865 0.807 20 30 FCEDHN COCC#CCN1C[C@@H](CNC(=O)COCc2nnc(C)s2)[C@H](C)C1 ZINC001102124474 844424724 /nfs/dbraw/zinc/42/47/24/844424724.db2.gz DHDHOCXBWGOQJE-UKRRQHHQSA-N 0 3 366.487 0.697 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN([C@H](C)c3csnn3)C[C@H]2O)CC1 ZINC001078227302 839417288 /nfs/dbraw/zinc/41/72/88/839417288.db2.gz UAPRBNMXTLBFMP-XNRPHZJLSA-N 0 3 363.487 0.106 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(Cc3scnc3C)C[C@H]2O)CC1 ZINC001078228186 839417446 /nfs/dbraw/zinc/41/74/46/839417446.db2.gz GUSLIHOQCYDURN-HZPDHXFCSA-N 0 3 362.499 0.458 20 30 FCEDHN C=CCCN1CCC2(CN(C(=O)[C@H](C)S(C)(=O)=O)[C@@H]3COC[C@@H]32)CC1 ZINC001079248146 839499264 /nfs/dbraw/zinc/49/92/64/839499264.db2.gz KAODVYRQALDMGS-HRCADAONSA-N 0 3 370.515 0.935 20 30 FCEDHN C=CCCN1CCC2(CN(C(=O)[C@@H](C)S(C)(=O)=O)[C@@H]3COC[C@@H]32)CC1 ZINC001079248147 839499661 /nfs/dbraw/zinc/49/96/61/839499661.db2.gz KAODVYRQALDMGS-OWCLPIDISA-N 0 3 370.515 0.935 20 30 FCEDHN C=CCCN1C[C@@H](NC(=O)[C@H](C)n2nnnc2C(C)(C)C)[C@H](OC)C1 ZINC001081781041 840026115 /nfs/dbraw/zinc/02/61/15/840026115.db2.gz CRRCTWVEVQTTEI-BFHYXJOUSA-N 0 3 350.467 0.923 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(Cc3cnsn3)C[C@H]2OC)CC1 ZINC001082384286 840376265 /nfs/dbraw/zinc/37/62/65/840376265.db2.gz NLNXHEFVUUULRO-HZPDHXFCSA-N 0 3 363.487 0.199 20 30 FCEDHN C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1NCc1ccc(C#N)c(F)c1 ZINC001082531369 840450721 /nfs/dbraw/zinc/45/07/21/840450721.db2.gz OUYHQTJKUDBDDI-BDJLRTHQSA-N 0 3 365.430 0.678 20 30 FCEDHN C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1NCc1ccc(C#N)s1 ZINC001082626748 840501852 /nfs/dbraw/zinc/50/18/52/840501852.db2.gz IQGATHGWLAAKSM-LALPHHSUSA-N 0 3 367.496 0.991 20 30 FCEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)CN3CCCCS3(=O)=O)[C@H]2C1 ZINC001083144945 840750322 /nfs/dbraw/zinc/75/03/22/840750322.db2.gz IATPSEUVROMPMB-JKSUJKDBSA-N 0 3 371.503 0.290 20 30 FCEDHN COCC#CCN1C[C@@H](CNC(=O)CNC(=O)c2ccsc2)[C@H](C)C1 ZINC001102584272 844579289 /nfs/dbraw/zinc/57/92/89/844579289.db2.gz ACLWSROARIQERI-GDBMZVCRSA-N 0 3 363.483 0.812 20 30 FCEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)[C@H](C)CN3CCOCC3)[C@H]2C1 ZINC001083275902 840858842 /nfs/dbraw/zinc/85/88/42/840858842.db2.gz BSUZGPCDXNMYFD-FGTMMUONSA-N 0 3 351.491 0.833 20 30 FCEDHN C=CCO[C@H](C)C(=O)NC[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1C ZINC001102609975 844600512 /nfs/dbraw/zinc/60/05/12/844600512.db2.gz QROQHJYOKDVSMK-BZUAXINKSA-N 0 3 353.463 0.120 20 30 FCEDHN CCCC[C@H](NC(N)=O)C(=O)NC[C@@H]1CN(CC#CCOC)C[C@H]1C ZINC001102612928 844601419 /nfs/dbraw/zinc/60/14/19/844601419.db2.gz DEYMBAWJSUFLFK-OAGGEKHMSA-N 0 3 352.479 0.547 20 30 FCEDHN C=CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C(C)(F)F)C1 ZINC001102635307 844615162 /nfs/dbraw/zinc/61/51/62/844615162.db2.gz BWJYMNSKAGLOEQ-VXGBXAGGSA-N 0 3 360.405 0.728 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(Cc3nc(C)cs3)C[C@@H]2O)CC1 ZINC001084089433 841697708 /nfs/dbraw/zinc/69/77/08/841697708.db2.gz ITOAJYPJHCORSQ-CVEARBPZSA-N 0 3 362.499 0.458 20 30 FCEDHN C=C(Br)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001085297746 842070492 /nfs/dbraw/zinc/07/04/92/842070492.db2.gz QZSIDZVTHRBZGS-UTUOFQBUSA-N 0 3 359.268 0.936 20 30 FCEDHN C=C(Cl)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1ncn2nccc2c1=O ZINC001085351520 842082745 /nfs/dbraw/zinc/08/27/45/842082745.db2.gz NBZGFHXMCBVIGT-CHWSQXEVSA-N 0 3 364.837 0.661 20 30 FCEDHN C=CCn1cc(CN2C[C@@]3(F)C(=O)N(CCN(C)C)C[C@@]3(F)C2)cn1 ZINC001275972982 861275398 /nfs/dbraw/zinc/27/53/98/861275398.db2.gz JUPGYCBVCQFJRW-DLBZAZTESA-N 0 3 353.417 0.705 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@H]2CCCS(=O)(=O)C2)C[C@H]1c1cnn(C)c1 ZINC001087000439 842207862 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CN(C)CCNC(=O)c1cccc(CNS(=O)(=O)N(C)CCC#N)c1 ZINC000066935442 488341247 /nfs/dbraw/zinc/34/12/47/488341247.db2.gz XCWHBYDJKSNDQG-UHFFFAOYSA-N 0 3 367.475 0.158 20 30 FCEDHN C#CCOc1ccccc1NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000184303317 488395805 /nfs/dbraw/zinc/39/58/05/488395805.db2.gz KBCIHTYYQNXGCL-INIZCTEOSA-N 0 3 372.469 0.637 20 30 FCEDHN CN(C)CCN(Cc1ccc(F)cc1)c1c(C#N)c(=O)n(C)c(=O)n1C ZINC000268294351 488405635 /nfs/dbraw/zinc/40/56/35/488405635.db2.gz FHMADCMGIHCBJP-UHFFFAOYSA-N 0 3 359.405 0.663 20 30 FCEDHN CN(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000562869471 491197797 /nfs/dbraw/zinc/19/77/97/491197797.db2.gz NLAJZMUTZXNYKD-UHFFFAOYSA-N 0 3 354.432 0.230 20 30 FCEDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000268982445 488460434 /nfs/dbraw/zinc/46/04/34/488460434.db2.gz PCYZFRZOEKYQHW-MRXNPFEDSA-N 0 3 369.421 0.532 20 30 FCEDHN CN1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000247111058 488482004 /nfs/dbraw/zinc/48/20/04/488482004.db2.gz 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MLRPDYCTWSGLID-HNNXBMFYSA-N 0 3 370.413 0.474 20 30 FCEDHN CN(C)CCOCCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000487563343 490718903 /nfs/dbraw/zinc/71/89/03/490718903.db2.gz UHZIYTMBQNIWQA-QGZVFWFLSA-N 0 3 373.457 0.537 20 30 FCEDHN N#Cc1ccc(CN2CCC(NC[C@@H]3CS(=O)(=O)CCO3)CC2)cc1 ZINC000538408520 490731576 /nfs/dbraw/zinc/73/15/76/490731576.db2.gz HQTJLWFTDIZUKK-GOSISDBHSA-N 0 3 363.483 0.926 20 30 FCEDHN C=CCOc1cccnc1C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000539353371 490778506 /nfs/dbraw/zinc/77/85/06/490778506.db2.gz ZGQLNVMQADWVQC-UHFFFAOYSA-N 0 3 372.429 0.773 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 ZINC000514654174 490778898 /nfs/dbraw/zinc/77/88/98/490778898.db2.gz HBKWOIPQCIAVAY-KGLIPLIRSA-N 0 3 353.444 0.904 20 30 FCEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC(C(=O)N2CCOCC2)CC1 ZINC000528352561 490790418 /nfs/dbraw/zinc/79/04/18/490790418.db2.gz ZJEFDJMPTALMEX-GOSISDBHSA-N 0 3 373.453 0.869 20 30 FCEDHN C[C@@]1(C2CCN(C[C@@H](O)COc3ccccc3C#N)CC2)NC(=O)NC1=O 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350.400 0.401 20 30 FCEDHN COCC[C@]1(NCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CCOC1 ZINC000516240316 490858024 /nfs/dbraw/zinc/85/80/24/490858024.db2.gz WDTBUPBGQCTXPB-WMZOPIPTSA-N 0 3 352.479 0.464 20 30 FCEDHN C=CCN1CCC(NC(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)CC1 ZINC000530775795 490923877 /nfs/dbraw/zinc/92/38/77/490923877.db2.gz SOLRKYJLPMBVBP-GOSISDBHSA-N 0 3 363.462 0.657 20 30 FCEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H](CC(N)=O)C2CCOCC2)cc1 ZINC000543491219 490934471 /nfs/dbraw/zinc/93/44/71/490934471.db2.gz JQVFVYDUKGOAOJ-INIZCTEOSA-N 0 3 365.455 0.592 20 30 FCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C)CC2)cc1 ZINC000519551992 490976045 /nfs/dbraw/zinc/97/60/45/490976045.db2.gz WAMARSCZNUXVHE-GFCCVEGCSA-N 0 3 364.427 0.085 20 30 FCEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(C)C1=O)C(C)C ZINC000572547300 491377721 /nfs/dbraw/zinc/37/77/21/491377721.db2.gz GNXGGNKKQRKHMH-HOTGVXAUSA-N 0 3 364.490 0.538 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000572785877 491393620 /nfs/dbraw/zinc/39/36/20/491393620.db2.gz CAGXXKDZEIEDGT-JKIFEVAISA-N 0 3 355.504 0.637 20 30 FCEDHN CC(C)NS(=O)(=O)CCNC[C@H](O)COc1ccc(CC#N)cc1 ZINC000572992462 491405770 /nfs/dbraw/zinc/40/57/70/491405770.db2.gz MSHQALRWSJRWDX-HNNXBMFYSA-N 0 3 355.460 0.410 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)NC[C@@H](C)CN2CCOCC2)CC1 ZINC000574592197 491507218 /nfs/dbraw/zinc/50/72/18/491507218.db2.gz LNYPQXVGHDSDFA-MRXNPFEDSA-N 0 3 366.506 0.228 20 30 FCEDHN COC[C@@]1(C)CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000560265454 491527196 /nfs/dbraw/zinc/52/71/96/491527196.db2.gz JXVNTXPIOVWTHM-SFHVURJKSA-N 0 3 361.446 0.862 20 30 FCEDHN N#Cc1ccc(S(=O)(=O)CCNC2CCN(c3cccnn3)CC2)nc1 ZINC000574983337 491531540 /nfs/dbraw/zinc/53/15/40/491531540.db2.gz DNVQPAOFBKCVBB-UHFFFAOYSA-N 0 3 372.454 0.776 20 30 FCEDHN CN(CCC#N)C[C@H](O)CNCCN1CCN(c2ccc(F)cc2)CC1 ZINC000568500750 491580733 /nfs/dbraw/zinc/58/07/33/491580733.db2.gz DKJOPXXCOVUIGO-LJQANCHMSA-N 0 3 363.481 0.744 20 30 FCEDHN CCN1CCCC[C@@H]1CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000569397427 491659049 /nfs/dbraw/zinc/65/90/49/491659049.db2.gz JNFBWWKVLARZTL-OAHLLOKOSA-N 0 3 364.471 0.827 20 30 FCEDHN N#Cc1ccc(S(=O)(=O)CCNCCCN2CCC(O)CC2)cc1 ZINC000579353773 491696021 /nfs/dbraw/zinc/69/60/21/491696021.db2.gz IQCBEZCITBZJLL-UHFFFAOYSA-N 0 3 351.472 0.768 20 30 FCEDHN C=CCc1ccc(OC[C@H](O)CN2C[C@H](O)[C@@H](N(C)C)C2)c(OC)c1 ZINC000579370208 491696720 /nfs/dbraw/zinc/69/67/20/491696720.db2.gz BAHQFQNKQRORKH-IKGGRYGDSA-N 0 3 350.459 0.770 20 30 FCEDHN COC1([C@@H](C)NCCS(=O)(=O)c2ccc(C#N)cn2)CCOCC1 ZINC000579701680 491703378 /nfs/dbraw/zinc/70/33/78/491703378.db2.gz KTSOVCVWVRYHCO-CYBMUJFWSA-N 0 3 353.444 0.901 20 30 FCEDHN CO[C@@H]1C[C@@H](NCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1(C)C ZINC000584761882 491713221 /nfs/dbraw/zinc/71/32/21/491713221.db2.gz XHOUQPPKYNMYHD-HUUCEWRRSA-N 0 3 361.446 0.906 20 30 FCEDHN CN(CCC#N)C[C@H](O)CN[C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000580311544 491725386 /nfs/dbraw/zinc/72/53/86/491725386.db2.gz LQKMDVQKCAGTSO-ZCNNSNEGSA-N 0 3 360.502 0.665 20 30 FCEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@@H]2CCCN2CCCO)cc1 ZINC000580444958 491731712 /nfs/dbraw/zinc/73/17/12/491731712.db2.gz CRDMDHGHFTXDMP-INIZCTEOSA-N 0 3 351.472 0.768 20 30 FCEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@H]2CCCN2CCCO)cc1 ZINC000580444959 491731850 /nfs/dbraw/zinc/73/18/50/491731850.db2.gz CRDMDHGHFTXDMP-MRXNPFEDSA-N 0 3 351.472 0.768 20 30 FCEDHN C[C@@H](CNC(=O)C(=O)NC1CCN(CC#N)CC1)N(C)Cc1ccccc1 ZINC000588127432 491740113 /nfs/dbraw/zinc/74/01/13/491740113.db2.gz HJMXIKIFDGPETF-INIZCTEOSA-N 0 3 371.485 0.727 20 30 FCEDHN N#Cc1ccc(CS(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)cc1 ZINC000588889149 491750900 /nfs/dbraw/zinc/75/09/00/491750900.db2.gz IKWCOAZTJMOHPZ-INIZCTEOSA-N 0 3 364.471 0.565 20 30 FCEDHN C[C@H]1CCN(C)CCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000589415770 491761745 /nfs/dbraw/zinc/76/17/45/491761745.db2.gz LPKVHCMPGZVLDR-ZDUSSCGKSA-N 0 3 350.444 0.389 20 30 FCEDHN COc1cc(C#N)ccc1NC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000581914772 491790182 /nfs/dbraw/zinc/79/01/82/491790182.db2.gz VGBVPQVCRUCVFQ-UHFFFAOYSA-N 0 3 356.386 0.902 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(CC)C(=O)[C@H]2C)CC1 ZINC000584130764 491859163 /nfs/dbraw/zinc/85/91/63/491859163.db2.gz ODVJNXCGABSJLP-CQSZACIVSA-N 0 3 350.463 0.222 20 30 FCEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@@H]1CCN(C2CCOCC2)C1=O ZINC000600726239 491879312 /nfs/dbraw/zinc/87/93/12/491879312.db2.gz DWMWTPKAKVVIGF-DLBZAZTESA-N 0 3 359.426 0.667 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000611875975 491880327 /nfs/dbraw/zinc/88/03/27/491880327.db2.gz XOXWCACQNTVMKH-UAGQMJEPSA-N 0 3 365.474 0.453 20 30 FCEDHN N#Cc1ccc(S(=O)(=O)CCNCCCN2CCC[C@H]2C(N)=O)cc1 ZINC000600752548 491880486 /nfs/dbraw/zinc/88/04/86/491880486.db2.gz COUYWTMRQMNVEX-INIZCTEOSA-N 0 3 364.471 0.261 20 30 FCEDHN C=CCCSCCNC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000595116457 491885246 /nfs/dbraw/zinc/88/52/46/491885246.db2.gz 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491955751 /nfs/dbraw/zinc/95/57/51/491955751.db2.gz ILYKOBVUMNEREP-LJQANCHMSA-N 0 3 354.410 0.364 20 30 FCEDHN CCN1CCN(CCCNC(=O)C(=O)Nc2cc(F)cc(C#N)c2)CC1 ZINC000602023148 491957325 /nfs/dbraw/zinc/95/73/25/491957325.db2.gz OPCQSZLGDBFMJN-UHFFFAOYSA-N 0 3 361.421 0.780 20 30 FCEDHN CN1CC[C@@](O)(CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000613063154 491964929 /nfs/dbraw/zinc/96/49/29/491964929.db2.gz GFOFXJSOYCFHNT-GOSISDBHSA-N 0 3 358.446 0.288 20 30 FCEDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N1CCN(CCC#N)CC1 ZINC000602240441 491971363 /nfs/dbraw/zinc/97/13/63/491971363.db2.gz VGOBPPPHLNEZTO-ZACQAIPSSA-N 0 3 363.506 0.527 20 30 FCEDHN C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)n1cc(CNCC#N)nn1 ZINC000603212240 492019482 /nfs/dbraw/zinc/01/94/82/492019482.db2.gz QTQVXUKTNXBSES-NVXWUHKLSA-N 0 3 367.457 0.843 20 30 FCEDHN N#Cc1ccc(N2CCN(C3CCOCC3)CC2)c(CS(N)(=O)=O)c1 ZINC000603304595 492025734 /nfs/dbraw/zinc/02/57/34/492025734.db2.gz NXNODXUXCIJGHQ-UHFFFAOYSA-N 0 3 364.471 0.648 20 30 FCEDHN COCC(C)(C)N1CCN(c2ccc(C#N)cc2CS(N)(=O)=O)CC1 ZINC000603397044 492030675 /nfs/dbraw/zinc/03/06/75/492030675.db2.gz OQQTZVAWUPKALB-UHFFFAOYSA-N 0 3 366.487 0.894 20 30 FCEDHN CN(C)C[C@H](CO)NC(=O)COc1cccc(Br)c1C#N ZINC000597654554 492056701 /nfs/dbraw/zinc/05/67/01/492056701.db2.gz UAAVVPGQBHJVKT-SNVBAGLBSA-N 0 3 356.220 0.738 20 30 FCEDHN CCCN1CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000598341936 492095696 /nfs/dbraw/zinc/09/56/96/492095696.db2.gz ITHMEXBJGINJSU-ZFWWWQNUSA-N 0 3 364.471 0.826 20 30 FCEDHN CC(C)[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCN1 ZINC000598573819 492105373 /nfs/dbraw/zinc/10/53/73/492105373.db2.gz PGNJWPPAWAUPRS-BBRMVZONSA-N 0 3 364.471 0.681 20 30 FCEDHN N#Cc1cccc(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)c1 ZINC000608866943 492194484 /nfs/dbraw/zinc/19/44/84/492194484.db2.gz CLBJBTLYZBZFTF-AWEZNQCLSA-N 0 3 350.444 0.424 20 30 FCEDHN CCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C[C@H]1CCOC1 ZINC000609631700 492217153 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C=C[C@H](CO)NCCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000662168054 493494441 /nfs/dbraw/zinc/49/44/41/493494441.db2.gz RAKIGDGHHJHVAC-CQSZACIVSA-N 0 3 367.471 0.936 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC1 ZINC000672356308 493758792 /nfs/dbraw/zinc/75/87/92/493758792.db2.gz MTHMJBTYIODGQK-OAHLLOKOSA-N 0 3 362.474 0.461 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000672354889 493758897 /nfs/dbraw/zinc/75/88/97/493758897.db2.gz IDJGPFDZOQGAKJ-QGZVFWFLSA-N 0 3 364.490 0.076 20 30 FCEDHN Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000178482875 533721907 /nfs/dbraw/zinc/72/19/07/533721907.db2.gz UYKYUFQKWXFOQB-CQSZACIVSA-N 0 3 357.458 0.805 20 30 FCEDHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000378157539 534454667 /nfs/dbraw/zinc/45/46/67/534454667.db2.gz HNKOIASZEBFJTG-MRXNPFEDSA-N 0 3 369.421 0.708 20 30 FCEDHN C=CCn1cc(CNC(=O)[C@H]2CC(=O)N(C[C@H]3CCCN3CC)C2)nn1 ZINC000424908667 534462517 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547275037 /nfs/dbraw/zinc/27/50/37/547275037.db2.gz ULUURIIBZXIZJI-MRXNPFEDSA-N 0 3 353.463 0.455 20 30 FCEDHN C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)CC1 ZINC000553712770 547301710 /nfs/dbraw/zinc/30/17/10/547301710.db2.gz VTMCPKQQQSGACM-UONOGXRCSA-N 0 3 373.519 0.423 20 30 FCEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCOC2(CC(C(=O)OC)C2)C1 ZINC000889104855 663330129 /nfs/dbraw/zinc/33/01/29/663330129.db2.gz BEIYIABXQGQNLI-SWKXRBFHSA-N 0 3 351.447 0.742 20 30 FCEDHN CN(CCO)CCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC000899738705 665960083 /nfs/dbraw/zinc/96/00/83/665960083.db2.gz MIWQWENDKMVGSA-ZDUSSCGKSA-N 0 3 364.833 0.605 20 30 FCEDHN C=C(C)CCN1CCO[C@]2(CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)C1 ZINC000972431613 663533319 /nfs/dbraw/zinc/53/33/19/663533319.db2.gz SOZUHZQGSJVLPT-ZHALLVOQSA-N 0 3 351.491 0.975 20 30 FCEDHN C#CCN(C(=O)NC[C@@H]1Cc2ccccc2CN1)[C@H]1CCS(=O)(=O)C1 ZINC000892803521 664145400 /nfs/dbraw/zinc/14/54/00/664145400.db2.gz SDZBSEYGLQLUDS-IRXDYDNUSA-N 0 3 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374.488 0.221 20 30 FCEDHN C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1ccnc(N(C)C)c1 ZINC000848965674 671311696 /nfs/dbraw/zinc/31/16/96/671311696.db2.gz URPCSBWDGJUMNR-GFCCVEGCSA-N 0 3 374.488 0.221 20 30 FCEDHN C[NH2+]C[C@H](C)NC(=O)[C@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000852919772 671532304 /nfs/dbraw/zinc/53/23/04/671532304.db2.gz BIBBOYWKMNYLJH-JSGCOSHPSA-N 0 3 366.487 0.864 20 30 FCEDHN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCCN1CCCCC1 ZINC000858971874 671786356 /nfs/dbraw/zinc/78/63/56/671786356.db2.gz MCQJIGDOLXNZBW-UHFFFAOYSA-N 0 3 351.428 0.754 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N(CCO)CCNC(=O)CN(CC)CC ZINC001057733300 676118623 /nfs/dbraw/zinc/11/86/23/676118623.db2.gz INHJESWTSSFATP-CVEARBPZSA-N 0 3 355.479 0.247 20 30 FCEDHN COCCN1[C@H](C)CN(c2ccc(C#N)cc2CS(N)(=O)=O)C[C@@H]1C ZINC000882516216 673319288 /nfs/dbraw/zinc/31/92/88/673319288.db2.gz VJVBQCYFHCRDOO-OKILXGFUSA-N 0 3 366.487 0.892 20 30 FCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cccc([S@@](C)(=O)=NC)c1 ZINC000890300519 673627873 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1201481549 /nfs/dbraw/zinc/48/15/49/1201481549.db2.gz BNPZTWJYVQNPEH-YVSFHVDLSA-N 0 3 363.462 0.637 20 30 FCEDHN C#C[C@H](NC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1)[C@@H]1CCCO1 ZINC000805156846 1201499849 /nfs/dbraw/zinc/49/98/49/1201499849.db2.gz DGPHKESZSIJFTN-HOTGVXAUSA-N 0 3 365.474 0.289 20 30 FCEDHN C=CCO[C@H](C)C(=O)N1C[C@@H](NCCn2cccn2)[C@@H](n2ccnn2)C1 ZINC001130151492 1201517050 /nfs/dbraw/zinc/51/70/50/1201517050.db2.gz SYNVVVYROALYQH-OAGGEKHMSA-N 0 3 359.434 0.107 20 30 FCEDHN COCC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(F)F)[n-]1 ZINC001130179821 1201523126 /nfs/dbraw/zinc/52/31/26/1201523126.db2.gz RKSOQBACNOEFRN-RYUDHWBXSA-N 0 3 371.388 0.188 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc(C)nn2C)[n-]1 ZINC001130187623 1201528015 /nfs/dbraw/zinc/52/80/15/1201528015.db2.gz AFOIHSVSWLWLJC-ZFWWWQNUSA-N 0 3 371.445 0.262 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ccnc(F)c2)[n-]1 ZINC001130190971 1201530735 /nfs/dbraw/zinc/53/07/35/1201530735.db2.gz 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30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cn(CC)cn2)[n-]1 ZINC001130246076 1201566182 /nfs/dbraw/zinc/56/61/82/1201566182.db2.gz CWNKWLXTEAEHIS-ZFWWWQNUSA-N 0 3 371.445 0.437 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C)CC(F)(F)C2)[n-]1 ZINC001130249097 1201569109 /nfs/dbraw/zinc/56/91/09/1201569109.db2.gz JPHHGYDMYMWNMB-RYUDHWBXSA-N 0 3 367.400 0.952 20 30 FCEDHN CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCc2ncc[nH]2)CC1 ZINC001130287763 1201577112 /nfs/dbraw/zinc/57/71/12/1201577112.db2.gz CPWOHDVCPDGXQP-UZLBHIALSA-N 0 3 371.485 0.841 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CO[C@H]2CCOC2)CC1 ZINC001130288430 1201577646 /nfs/dbraw/zinc/57/76/46/1201577646.db2.gz PDFOQCKOEMPWSH-FCEWJHQRSA-N 0 3 365.474 0.453 20 30 FCEDHN CC(C)[C@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(CC#N)CC1)N(C)C ZINC001130305045 1201581156 /nfs/dbraw/zinc/58/11/56/1201581156.db2.gz JBIJKIWRYCSRAO-BPQIPLTHSA-N 0 3 363.506 0.572 20 30 FCEDHN 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CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@H]3CCCOC3)n2)O1 ZINC001130765279 1202784256 /nfs/dbraw/zinc/78/42/56/1202784256.db2.gz KNZVZEDHFCUNGI-SOUVJXGZSA-N 0 3 361.446 0.681 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)Cn3cc(C)cn3)n[n-]2)O1 ZINC001130765522 1202784497 /nfs/dbraw/zinc/78/44/97/1202784497.db2.gz WHTCJPRPMXZERX-UONOGXRCSA-N 0 3 357.418 0.069 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)Cn3cc(C)cn3)n2)O1 ZINC001130765522 1202784499 /nfs/dbraw/zinc/78/44/99/1202784499.db2.gz WHTCJPRPMXZERX-UONOGXRCSA-N 0 3 357.418 0.069 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C)OCC3CC3)n[n-]2)O1 ZINC001130765574 1202784563 /nfs/dbraw/zinc/78/45/63/1202784563.db2.gz YDEHERFBCBQJAN-AEGPPILISA-N 0 3 361.446 0.679 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@H](C)OCC3CC3)n2)O1 ZINC001130765574 1202784564 /nfs/dbraw/zinc/78/45/64/1202784564.db2.gz YDEHERFBCBQJAN-AEGPPILISA-N 0 3 361.446 0.679 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H]3CCOC3)n[n-]2)O1 ZINC001130770188 1202786435 /nfs/dbraw/zinc/78/64/35/1202786435.db2.gz WYRQYWSPYLCMPZ-SOUVJXGZSA-N 0 3 361.446 0.681 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)C[C@@H]3CCOC3)n2)O1 ZINC001130770188 1202786440 /nfs/dbraw/zinc/78/64/40/1202786440.db2.gz WYRQYWSPYLCMPZ-SOUVJXGZSA-N 0 3 361.446 0.681 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3c[nH]c(C#N)c3)n[n-]2)O1 ZINC001130777201 1202790915 /nfs/dbraw/zinc/79/09/15/1202790915.db2.gz WHHKMNOCYGQEBO-UONOGXRCSA-N 0 3 353.386 0.377 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)c3c[nH]c(C#N)c3)n2)O1 ZINC001130777201 1202790921 /nfs/dbraw/zinc/79/09/21/1202790921.db2.gz WHHKMNOCYGQEBO-UONOGXRCSA-N 0 3 353.386 0.377 20 30 FCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)c3ccncc3C)n[n-]2)O1 ZINC001130780948 1202792513 /nfs/dbraw/zinc/79/25/13/1202792513.db2.gz HCXDVFGUKJMPSD-DZGCQCFKSA-N 0 3 354.414 0.881 20 30 FCEDHN 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1202848784 /nfs/dbraw/zinc/84/87/84/1202848784.db2.gz JQRLUJRSMKEBOA-HZPDHXFCSA-N 0 3 353.426 0.671 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1c1cncn1C ZINC001131035619 1202849223 /nfs/dbraw/zinc/84/92/23/1202849223.db2.gz JZROJFQBZFEJJC-HZPDHXFCSA-N 0 3 354.458 0.694 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2ccn3nnnc3c2)C[C@H]1c1cncn1C ZINC001131039941 1202850026 /nfs/dbraw/zinc/85/00/26/1202850026.db2.gz CDGFGQOMPXKFIW-HUUCEWRRSA-N 0 3 364.413 0.079 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)Cc2c(C)nn(C)c2C)C[C@H]1c1cncn1C ZINC001131039927 1202850076 /nfs/dbraw/zinc/85/00/76/1202850076.db2.gz BPCNIBXYPRICRC-QZTJIDSGSA-N 0 3 368.485 0.920 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)C(C)(C)NC(=O)NCC)C[C@H]1c1cncn1C ZINC001131082345 1202858665 /nfs/dbraw/zinc/85/86/65/1202858665.db2.gz NVXASPLXPMVODG-ZIAGYGMSSA-N 0 3 360.462 0.035 20 30 FCEDHN C=CCCn1cc(C(=O)N2C[C@@H](c3cncn3C)[C@H](NCC#CC)C2)nn1 ZINC001131089485 1202860903 /nfs/dbraw/zinc/86/09/03/1202860903.db2.gz JLBQDZYSAKUMNW-HZPDHXFCSA-N 0 3 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ZINC001224233101 1225766997 /nfs/dbraw/zinc/76/69/97/1225766997.db2.gz ISDXVVGLSYMARX-SQNIBIBYSA-N 0 3 360.502 0.533 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(c3nc(C)cc(CC)n3)C[C@@H]2O)CC1 ZINC001043988593 1217787100 /nfs/dbraw/zinc/78/71/00/1217787100.db2.gz GQKBYPJDYRYNMQ-MSOLQXFVSA-N 0 3 371.485 0.358 20 30 FCEDHN CN(C)Cc1cccc(C(=O)N[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]2O)c1 ZINC001043989403 1217787740 /nfs/dbraw/zinc/78/77/40/1217787740.db2.gz SAFTXMZFUWKRSF-MOPGFXCFSA-N 0 3 365.437 0.994 20 30 FCEDHN C[C@@H](C(=O)N[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O)N1CCCCCC1 ZINC001044198334 1217816807 /nfs/dbraw/zinc/81/68/07/1217816807.db2.gz NZVCIKWLOHAITQ-UAGQMJEPSA-N 0 3 357.458 0.883 20 30 FCEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)CN(C)CCC)C1 ZINC001044302357 1217831896 /nfs/dbraw/zinc/83/18/96/1217831896.db2.gz IGOAYOHGHVKKDB-RDJZCZTQSA-N 0 3 367.490 0.389 20 30 FCEDHN N#Cc1cccnc1N1C[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)[C@@H](O)C1 ZINC001044333341 1217836120 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JATQMOJKGYHDOI-VSZNYVQBSA-N 0 3 362.474 0.758 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)n[nH]1 ZINC001225104631 1225803129 /nfs/dbraw/zinc/80/31/29/1225803129.db2.gz NVKLOUFLPVVHQN-CHWSQXEVSA-N 0 3 362.434 0.361 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@H](CNCc2nnnn2C)CC1 ZINC001048615310 1218297718 /nfs/dbraw/zinc/29/77/18/1218297718.db2.gz OCDZEHOLPJYYFV-FPCVCCKLSA-N 0 3 362.478 0.813 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCOC1 ZINC001225477429 1225812939 /nfs/dbraw/zinc/81/29/39/1225812939.db2.gz DLFXMCRKSYWVTC-RRFJBIMHSA-N 0 3 366.462 0.442 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1O ZINC001048920802 1218341106 /nfs/dbraw/zinc/34/11/06/1218341106.db2.gz ZEMKMXNNKBNCLL-QZWWFDLISA-N 0 3 367.490 0.338 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CN(C)CCC)C1 ZINC001049149192 1218388049 /nfs/dbraw/zinc/38/80/49/1218388049.db2.gz AZWOIVDAYXTOBC-OVWQWFNUSA-N 0 3 367.490 0.340 20 30 FCEDHN CCOCCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC001225760814 1225821195 /nfs/dbraw/zinc/82/11/95/1225821195.db2.gz AWBKBCUDVKGBEA-HZPDHXFCSA-N 0 3 361.446 0.670 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001049474240 1218457529 /nfs/dbraw/zinc/45/75/29/1218457529.db2.gz ICSJZZNBZVOYDF-JSRQGNBESA-N 0 3 367.490 0.194 20 30 FCEDHN C#CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCc1cc(OC)ccn1 ZINC001225779919 1225823460 /nfs/dbraw/zinc/82/34/60/1225823460.db2.gz XJKPPGRBLVKHAL-IAGOWNOFSA-N 0 3 358.442 0.747 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](CC)N(C)C)C1 ZINC001049577626 1218493651 /nfs/dbraw/zinc/49/36/51/1218493651.db2.gz CUQIBXYAXRMXSB-WOYTXXSLSA-N 0 3 367.490 0.338 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C[C@@](C)(O)C=C ZINC001225946810 1225829020 /nfs/dbraw/zinc/82/90/20/1225829020.db2.gz LKTOXWGBSYJNJK-LBTNJELSSA-N 0 3 366.462 0.342 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NC1CC1 ZINC001226187977 1225835328 /nfs/dbraw/zinc/83/53/28/1225835328.db2.gz NXCSHMXHFDCVDU-NWANDNLSSA-N 0 3 364.446 0.030 20 30 FCEDHN N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@H](O)Cn2cccn2)[nH]1 ZINC001096971784 1218645842 /nfs/dbraw/zinc/64/58/42/1218645842.db2.gz WFDNESZMXOWYEQ-SRABZTEZSA-N 0 3 354.414 0.479 20 30 FCEDHN CC(C)NC(=O)C(C#N)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000748483199 1218753656 /nfs/dbraw/zinc/75/36/56/1218753656.db2.gz ROOOJYRVGWYZRF-ZDUSSCGKSA-N 0 3 361.358 0.627 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn2c(n1)CCCC2 ZINC001226541939 1225845981 /nfs/dbraw/zinc/84/59/81/1225845981.db2.gz IVNDJWRGNWFMGW-HUUCEWRRSA-N 0 3 357.458 0.599 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc(OCC)nc1 ZINC001226619671 1225849043 /nfs/dbraw/zinc/84/90/43/1225849043.db2.gz DQMWIOUIHVLBPO-HZPDHXFCSA-N 0 3 358.442 0.860 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC(C)C)CC1 ZINC001111456607 1218873491 /nfs/dbraw/zinc/87/34/91/1218873491.db2.gz LUKQNNVZFKAJPD-QRVBRYPASA-N 0 3 374.529 0.825 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnc2[nH]c(C)nc2c1 ZINC001226697172 1225852480 /nfs/dbraw/zinc/85/24/80/1225852480.db2.gz TYZDOXWGUBPZKI-HUUCEWRRSA-N 0 3 368.441 0.646 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2ncncc2C1 ZINC001226714661 1225852615 /nfs/dbraw/zinc/85/26/15/1225852615.db2.gz XMCGHOYCMSRAAA-IAOVAPTHSA-N 0 3 370.457 0.238 20 30 FCEDHN CCN1CCN(c2ccc(NC(=O)CN(CC#N)CC(=O)OC)cc2)CC1 ZINC000749156045 1218898616 /nfs/dbraw/zinc/89/86/16/1218898616.db2.gz PDPGHVGPVVESNT-UHFFFAOYSA-N 0 3 373.457 0.766 20 30 FCEDHN C=CCn1cccc1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(=O)NC ZINC001226818349 1225855284 /nfs/dbraw/zinc/85/52/84/1225855284.db2.gz NBJAHFYNFFQFFL-ZIAGYGMSSA-N 0 3 361.446 0.760 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cn(C)c(C)cc1=O ZINC001226933112 1225858152 /nfs/dbraw/zinc/85/81/52/1225858152.db2.gz ZNOKPNVJZKYLMP-HZPDHXFCSA-N 0 3 358.442 0.074 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2nccn2C1 ZINC001227176280 1225865127 /nfs/dbraw/zinc/86/51/27/1225865127.db2.gz VQHGQHTWWASQTH-ARFHVFGLSA-N 0 3 359.474 0.765 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2nccn2C1 ZINC001227174731 1225865432 /nfs/dbraw/zinc/86/54/32/1225865432.db2.gz AABSGJOCYPXXDU-ARFHVFGLSA-N 0 3 357.458 0.212 20 30 FCEDHN Cc1nnc2ccc(C(=O)N[C@@H]3CCCC[C@H]3NCC(=O)NCC#N)cn12 ZINC001227211302 1225866484 /nfs/dbraw/zinc/86/64/84/1225866484.db2.gz CWIDZPFVXYIUSG-HUUCEWRRSA-N 0 3 369.429 0.308 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCn2nccc21 ZINC001227128623 1225864108 /nfs/dbraw/zinc/86/41/08/1225864108.db2.gz UENJTMOKGHFEOA-ARFHVFGLSA-N 0 3 357.458 0.527 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CCCC[C@H]1NC(=O)c1cn(C)ccc1=O ZINC001227419320 1225873749 /nfs/dbraw/zinc/87/37/49/1225873749.db2.gz QEGNNHFMTCLBFW-FVQBIDKESA-N 0 3 360.458 0.707 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cc2n(n1)CCCO2 ZINC001227443702 1225874855 /nfs/dbraw/zinc/87/48/55/1225874855.db2.gz HRTOZIQSWBDQNA-ZIAGYGMSSA-N 0 3 361.446 0.598 20 30 FCEDHN N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccc2[nH]ccc2n1 ZINC001227458421 1225875688 /nfs/dbraw/zinc/87/56/88/1225875688.db2.gz BJYOIWFOLOJSCQ-TZMCWYRMSA-N 0 3 354.414 0.833 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ncc2ccccn21 ZINC001227475216 1225876628 /nfs/dbraw/zinc/87/66/28/1225876628.db2.gz WKEKYPGFNDDKIK-HZPDHXFCSA-N 0 3 353.426 0.714 20 30 FCEDHN Cc1cc(C)n(CCN[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@@H]2n2ccnn2)n1 ZINC001070161199 1219250576 /nfs/dbraw/zinc/25/05/76/1219250576.db2.gz ZSHIGWRNLNYIEV-MAZHCROVSA-N 0 3 356.434 0.293 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2c[nH]cc2-c2cnn(C)c2)C[C@@H]1n1ccnn1 ZINC001070193915 1219286445 /nfs/dbraw/zinc/28/64/45/1219286445.db2.gz XUGJTKYKQOWIOK-SJORKVTESA-N 0 3 366.429 0.848 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001227655827 1225880984 /nfs/dbraw/zinc/88/09/84/1225880984.db2.gz ZQPUVSVLXWWTJM-ZNFSNMQZSA-N 0 3 365.474 0.357 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cc(C(F)(F)F)n(C)n2)C[C@@H]1n1ccnn1 ZINC001070202213 1219290375 /nfs/dbraw/zinc/29/03/75/1219290375.db2.gz CCVPRINMWDMLSP-NEPJUHHUSA-N 0 3 369.351 0.872 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2c(CC)c(CC)n[nH]c2=O)C[C@@H]1n1ccnn1 ZINC001070203425 1219291835 /nfs/dbraw/zinc/29/18/35/1219291835.db2.gz YVFLTKISCBIBLS-CABCVRRESA-N 0 3 371.445 0.740 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2nn3c(c2C)OCCC3)C[C@@H]1n1ccnn1 ZINC001070206692 1219292827 /nfs/dbraw/zinc/29/28/27/1219292827.db2.gz OWZUICHYXGFXBI-KGLIPLIRSA-N 0 3 357.418 0.407 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)Cc2cnn3c2CCCC3)C[C@@H]1n1ccnn1 ZINC001070212717 1219296519 /nfs/dbraw/zinc/29/65/19/1219296519.db2.gz PCIYMAHZXCVASM-WBVHZDCISA-N 0 3 355.446 0.581 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cn(CC(F)F)nc2C)C[C@@H]1n1ccnn1 ZINC001070214258 1219297560 /nfs/dbraw/zinc/29/75/60/1219297560.db2.gz MYWAKVPGEOMGJM-KGLIPLIRSA-N 0 3 365.388 0.889 20 30 FCEDHN C=CCOc1ccc(C(=O)N2C[C@@H](NCCO)[C@@H](n3ccnn3)C2)cc1 ZINC001070221110 1219303225 /nfs/dbraw/zinc/30/32/25/1219303225.db2.gz XDVGGKGQZYDGRA-SJORKVTESA-N 0 3 357.414 0.491 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2sccc2-n2cnnn2)C[C@@H]1n1ccnn1 ZINC001070224444 1219305624 /nfs/dbraw/zinc/30/56/24/1219305624.db2.gz GLFAUOLUQMSDSZ-YPMHNXCESA-N 0 3 371.430 0.157 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccnc3c2CC(=O)N3)C[C@@H]1n1ccnn1 ZINC001070228080 1219308041 /nfs/dbraw/zinc/30/80/41/1219308041.db2.gz FXNNKXSIFODQSX-KGLIPLIRSA-N 0 3 353.386 0.009 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)nc2)C[C@@H]1n1ccnn1 ZINC001070247766 1219317809 /nfs/dbraw/zinc/31/78/09/1219317809.db2.gz FAWQZTHCXLYPND-CVEARBPZSA-N 0 3 364.413 0.700 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC1(CNC(=O)CN(CC)CC)CCOCC1 ZINC001070260207 1219329798 /nfs/dbraw/zinc/32/97/98/1219329798.db2.gz YDOYTCSMCPHQFD-CVEARBPZSA-N 0 3 367.490 0.701 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@H]2CCc3cnc(C)n3C2)C[C@@H]1n1ccnn1 ZINC001070260441 1219330830 /nfs/dbraw/zinc/33/08/30/1219330830.db2.gz JPUUUQZEILUXNC-UAGQMJEPSA-N 0 3 353.430 0.020 20 30 FCEDHN CC(C)(C)N1CC[C@](F)(C(=O)N2C[C@@H](NCC#N)[C@@H](n3ccnn3)C2)C1 ZINC001070275284 1219342271 /nfs/dbraw/zinc/34/22/71/1219342271.db2.gz DMCVYYANEYTSSE-JKIFEVAISA-N 0 3 363.441 0.356 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cnn(-c3ccccn3)c2)C[C@@H]1n1ccnn1 ZINC001070286886 1219351085 /nfs/dbraw/zinc/35/10/85/1219351085.db2.gz FNBXNCFUJQFWGE-CVEARBPZSA-N 0 3 364.413 0.700 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001070290876 1219352807 /nfs/dbraw/zinc/35/28/07/1219352807.db2.gz PNPQXLKHRRBTSG-OAGGEKHMSA-N 0 3 360.462 0.454 20 30 FCEDHN C=C(C)CN[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CC)C[C@@H]1n1ccnn1 ZINC001070306778 1219364540 /nfs/dbraw/zinc/36/45/40/1219364540.db2.gz WIXLOSPTHPNDPN-OAGGEKHMSA-N 0 3 360.462 0.597 20 30 FCEDHN CCCCN1CCCC[C@H]1C(=O)N1C[C@@H](NCC#N)[C@@H](n2ccnn2)C1 ZINC001070308654 1219366753 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C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[C@@H]1CCOC1 ZINC001117685841 1221607988 /nfs/dbraw/zinc/60/79/88/1221607988.db2.gz AARUJYBESYNMQM-MAUKXSAKSA-N 0 3 372.469 0.990 20 30 FCEDHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCc1ccc(OCC#N)cc1 ZINC001117975034 1221673514 /nfs/dbraw/zinc/67/35/14/1221673514.db2.gz HASYONCIJBWKPC-IUODEOHRSA-N 0 3 360.414 0.434 20 30 FCEDHN CNC(=O)c1cccc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)c1 ZINC001230203084 1226062859 /nfs/dbraw/zinc/06/28/59/1226062859.db2.gz SRZXHVTVXMNZEC-HZPDHXFCSA-N 0 3 371.441 0.317 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2nncn2C1 ZINC001230239314 1226066940 /nfs/dbraw/zinc/06/69/40/1226066940.db2.gz VMIYHFIJPSQXMB-RBSFLKMASA-N 0 3 360.462 0.160 20 30 FCEDHN C=CCO[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC1CCOCC1 ZINC001230327822 1226074708 /nfs/dbraw/zinc/07/47/08/1226074708.db2.gz JOMOREJMUUEMPW-USXIJHARSA-N 0 3 367.490 0.890 20 30 FCEDHN CN(C)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)nc1 ZINC001230301648 1226072550 /nfs/dbraw/zinc/07/25/50/1226072550.db2.gz LFJFNSOSRFQKQL-HUUCEWRRSA-N 0 3 358.446 0.418 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCNC(=O)CC(C)C ZINC001230371981 1226078875 /nfs/dbraw/zinc/07/88/75/1226078875.db2.gz WKTOPIXICPJGID-HZPDHXFCSA-N 0 3 364.490 0.305 20 30 FCEDHN C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001119364814 1221906787 /nfs/dbraw/zinc/90/67/87/1221906787.db2.gz SIPJNZPUWFRFIH-QGZVFWFLSA-N 0 3 361.490 0.034 20 30 FCEDHN C=CCn1c([C@H](O)C2CC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001121581698 1222193773 /nfs/dbraw/zinc/19/37/73/1222193773.db2.gz ASPOUTQSIHMANE-QGZVFWFLSA-N 0 3 374.489 0.652 20 30 FCEDHN Cn1cc(CN2CCC[C@H](Oc3ccccc3C#N)C2)c(=O)n(C)c1=O ZINC001231770732 1226127466 /nfs/dbraw/zinc/12/74/66/1226127466.db2.gz SDFZLVQFJCZYKD-INIZCTEOSA-N 0 3 354.410 0.999 20 30 FCEDHN N#C[C@@H]1CNC[C@H]1NC(=O)c1cccc(NC(=O)CCn2ccnc2)c1 ZINC000834493260 1222575953 /nfs/dbraw/zinc/57/59/53/1222575953.db2.gz CHJWTLLQAIYGSX-GDBMZVCRSA-N 0 3 352.398 0.753 20 30 FCEDHN C#CCN(C)CCCNC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000836205945 1222618038 /nfs/dbraw/zinc/61/80/38/1222618038.db2.gz XHMRZUWLQJIVGV-UHFFFAOYSA-N 0 3 363.462 0.495 20 30 FCEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000838551951 1222683775 /nfs/dbraw/zinc/68/37/75/1222683775.db2.gz LKBXUVHSNPTQQB-LSDHHAIUSA-N 0 3 363.462 1.000 20 30 FCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cccc([C@@H](C)C(=O)OC)c1 ZINC000839564066 1222745864 /nfs/dbraw/zinc/74/58/64/1222745864.db2.gz NVINUPYKFQCJSQ-CQSZACIVSA-N 0 3 359.426 0.973 20 30 FCEDHN N#CCCCN1C[C@]2(CC1=O)CCCCN2C[C@@H](O)CN1CCOCC1 ZINC001277698371 1226162284 /nfs/dbraw/zinc/16/22/84/1226162284.db2.gz PASLITHTJXPDAT-PKOBYXMFSA-N 0 3 364.490 0.440 20 30 FCEDHN C#CCN1C[C@]2(CCN(C[C@H](O)COc3ccccc3C)C2)OCC1=O ZINC001277711609 1226167095 /nfs/dbraw/zinc/16/70/95/1226167095.db2.gz KPVCXUVHRNJDHR-FXAWDEMLSA-N 0 3 358.438 0.671 20 30 FCEDHN C#CCOC[C@@H](O)CN1CCOC[C@]2(CC(=O)N(CC3CCCC3)C2)C1 ZINC001277711861 1226167166 /nfs/dbraw/zinc/16/71/66/1226167166.db2.gz LNUYXIYYAMKFGC-AZUAARDMSA-N 0 3 364.486 0.738 20 30 FCEDHN C#CCN1C[C@]2(CCN(C[C@@H](O)COc3ccccc3C)C2)OCC1=O ZINC001277711619 1226167195 /nfs/dbraw/zinc/16/71/95/1226167195.db2.gz KPVCXUVHRNJDHR-YLJYHZDGSA-N 0 3 358.438 0.671 20 30 FCEDHN COC(=O)CNC(=O)CNc1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001159829276 1223137607 /nfs/dbraw/zinc/13/76/07/1223137607.db2.gz LIXCTGYHTMTZIJ-SNVBAGLBSA-N 0 3 363.374 0.127 20 30 FCEDHN C[C@@H]1CCCN1C(=O)c1nn(-c2cncc(CC#N)n2)c2c1CNCC2 ZINC001165940840 1223262278 /nfs/dbraw/zinc/26/22/78/1223262278.db2.gz YSMOLRCDOPLYBG-GFCCVEGCSA-N 0 3 351.414 0.999 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCCCN[C@@H]1CCN(c2ccn(C)n2)C1=O ZINC001166986246 1223290943 /nfs/dbraw/zinc/29/09/43/1223290943.db2.gz BLSSNILEEYVLST-KFWWJZLASA-N 0 3 361.446 0.212 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1c1cccc(F)c1 ZINC001205366820 1223321246 /nfs/dbraw/zinc/32/12/46/1223321246.db2.gz DAJJYEMUJNKPPQ-DOTOQJQBSA-N 0 3 369.400 0.496 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1c1cccc(F)c1 ZINC001205401662 1223321976 /nfs/dbraw/zinc/32/19/76/1223321976.db2.gz QOHIRGHYYIBGMM-JKSUJKDBSA-N 0 3 357.389 0.730 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)C[C@H]1c1cccc(F)c1 ZINC001205461732 1223324582 /nfs/dbraw/zinc/32/45/82/1223324582.db2.gz CLVKHZKKARVBQH-HYVNUMGLSA-N 0 3 371.412 0.786 20 30 FCEDHN CC(C)C#CC(=O)N[C@@H]1CN(CCCN2C(=O)NC(C)(C)C2=O)C[C@H]1C ZINC001206939429 1223391492 /nfs/dbraw/zinc/39/14/92/1223391492.db2.gz DRXKKWLMKGDWID-HUUCEWRRSA-N 0 3 362.474 0.803 20 30 FCEDHN C=CCNC(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CCN(C)CC1 ZINC001276499781 1223394076 /nfs/dbraw/zinc/39/40/76/1223394076.db2.gz WJSHOWQENSTPTL-IAGOWNOFSA-N 0 3 363.506 0.585 20 30 FCEDHN CN1CCN(CCCN2C[C@@]3(F)C(=O)N(CCCC#N)C[C@@]3(F)C2)CC1 ZINC001276630178 1223608263 /nfs/dbraw/zinc/60/82/63/1223608263.db2.gz KVWWKWVSAOWDKF-ZWKOTPCHSA-N 0 3 369.460 0.502 20 30 FCEDHN Cc1nc2cccc(C(=O)N[C@@H]3CN(CC(=O)NCC#N)C[C@H]3C)c2[nH]1 ZINC001210017786 1223662500 /nfs/dbraw/zinc/66/25/00/1223662500.db2.gz MLYLQSRUAWECHV-IAQYHMDHSA-N 0 3 354.414 0.561 20 30 FCEDHN C#CCNC(=O)CN1C[C@@H](C)[C@H](NC(=O)c2[nH]nc3c2CCCCC3)C1 ZINC001211038225 1223720791 /nfs/dbraw/zinc/72/07/91/1223720791.db2.gz HHPGIWXGGVDSMY-CZUORRHYSA-N 0 3 357.458 0.478 20 30 FCEDHN CCCCCCCN1C[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@H](OC)C1 ZINC001213130744 1223752344 /nfs/dbraw/zinc/75/23/44/1223752344.db2.gz BCYITMLTGQDARO-HUUCEWRRSA-N 0 3 366.462 0.735 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)c2cnc3c(c2)NC(=O)CO3)[C@H](OC)C1 ZINC001213131329 1223752907 /nfs/dbraw/zinc/75/29/07/1223752907.db2.gz PPUPKIQPDGQKDB-HUUCEWRRSA-N 0 3 360.414 0.808 20 30 FCEDHN C[C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@H]1NCC(=O)NCC#Cc1ccccc1 ZINC001214097508 1223889683 /nfs/dbraw/zinc/88/96/83/1223889683.db2.gz CGEHONUKELYSID-QRQLOZEOSA-N 0 3 369.465 0.770 20 30 FCEDHN CCOCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#Cc2ccccc2)C1 ZINC001214087499 1223889869 /nfs/dbraw/zinc/88/98/69/1223889869.db2.gz ZRHPEBFNCOKZDK-SJLPKXTDSA-N 0 3 357.454 0.627 20 30 FCEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1C ZINC001214109400 1223890730 /nfs/dbraw/zinc/89/07/30/1223890730.db2.gz AJMPQNLLBPHQOH-HZPDHXFCSA-N 0 3 364.490 0.470 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cccn2C)C[C@H]1C ZINC001214150079 1223893060 /nfs/dbraw/zinc/89/30/60/1223893060.db2.gz YMFLNPRADWLCHI-MGPQQGTHSA-N 0 3 361.446 0.476 20 30 FCEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)CNC(=O)CCC)C[C@H]1C ZINC001214252657 1223898294 /nfs/dbraw/zinc/89/82/94/1223898294.db2.gz RFMACHHQIPFUGW-HZPDHXFCSA-N 0 3 366.506 0.764 20 30 FCEDHN C=CCOCC(=O)N1C[C@@H](C)[C@H](NCC(=O)Nc2ccnn2CCC)C1 ZINC001214329384 1223901630 /nfs/dbraw/zinc/90/16/30/1223901630.db2.gz FMOLVTQIAGWMSS-HUUCEWRRSA-N 0 3 363.462 0.871 20 30 FCEDHN COc1ccccc1CNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C ZINC001214338266 1223901944 /nfs/dbraw/zinc/90/19/44/1223901944.db2.gz NFWGJOSWSNGNLI-SQWLQELKSA-N 0 3 358.442 0.908 20 30 FCEDHN C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#Cc2ccccc2)C1 ZINC001214338438 1223901981 /nfs/dbraw/zinc/90/19/81/1223901981.db2.gz RBLFUTROUBMCEV-JFIYKMOQSA-N 0 3 352.438 0.750 20 30 FCEDHN C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCCOc2ccccc2)C1 ZINC001214337951 1223902143 /nfs/dbraw/zinc/90/21/43/1223902143.db2.gz GUYCTYVKTYSXIR-BFYDXBDKSA-N 0 3 358.442 0.778 20 30 FCEDHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CN(C(=O)CNC(=O)CC)C[C@H]1C ZINC001214355816 1223903305 /nfs/dbraw/zinc/90/33/05/1223903305.db2.gz ISKICEFOVWUTPS-OWCLPIDISA-N 0 3 366.506 0.762 20 30 FCEDHN C=CCOCCCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(=O)NCC)C1 ZINC001214404930 1223907784 /nfs/dbraw/zinc/90/77/84/1223907784.db2.gz SDVWTCBWAGDCLZ-RBSFLKMASA-N 0 3 368.478 0.640 20 30 FCEDHN C=CCOCCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC[C@H]2CCCO2)C1 ZINC001214403246 1223907925 /nfs/dbraw/zinc/90/79/25/1223907925.db2.gz OHRIMKRGCNHETG-BRWVUGGUSA-N 0 3 367.490 0.701 20 30 FCEDHN C#CCCCCC(=O)N1C[C@@H](C)[C@H](NCc2cc(=O)n(C)c(=O)n2C)C1 ZINC001214467890 1223911917 /nfs/dbraw/zinc/91/19/17/1223911917.db2.gz LPEXSMUTCDWMEZ-GDBMZVCRSA-N 0 3 360.458 0.214 20 30 FCEDHN C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(C)(C)CC)C1 ZINC001214480411 1223913502 /nfs/dbraw/zinc/91/35/02/1223913502.db2.gz WHVUUZIZFNOGGD-RBSFLKMASA-N 0 3 364.490 0.256 20 30 FCEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1C ZINC001214512466 1223917746 /nfs/dbraw/zinc/91/77/46/1223917746.db2.gz UNNXTDSIXWTDLA-HZPDHXFCSA-N 0 3 362.478 0.529 20 30 FCEDHN C=C[C@](C)(O)CC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NCC(C)C)C1 ZINC001214535155 1223919206 /nfs/dbraw/zinc/91/92/06/1223919206.db2.gz INULJQSRECNBBD-LBTNJELSSA-N 0 3 368.478 0.232 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C2CC(OCC)C2)C[C@H]1C ZINC001214553396 1223920820 /nfs/dbraw/zinc/92/08/20/1223920820.db2.gz RJGWFUNWSMOCOJ-XSCHDIRWSA-N 0 3 366.462 0.250 20 30 FCEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1C ZINC001214587243 1223923567 /nfs/dbraw/zinc/92/35/67/1223923567.db2.gz CLEDXEHIYPAKRN-NVXWUHKLSA-N 0 3 361.490 0.824 20 30 FCEDHN CC(C)CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1C ZINC001214591200 1223924250 /nfs/dbraw/zinc/92/42/50/1223924250.db2.gz RJPRAXSAHVXVGX-HUUCEWRRSA-N 0 3 364.490 0.954 20 30 FCEDHN C#CCOCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)Nc2cc(C)nn2C)C1 ZINC001214595523 1223924325 /nfs/dbraw/zinc/92/43/25/1223924325.db2.gz QJUJXIRKJBNOFF-UKRRQHHQSA-N 0 3 361.446 0.143 20 30 FCEDHN CC(C)CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C ZINC001214588312 1223924363 /nfs/dbraw/zinc/92/43/63/1223924363.db2.gz YVOSJYWOBTVCLO-IIAWOOMASA-N 0 3 362.474 0.707 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCc2cccnc2)C1 ZINC001214601988 1223925099 /nfs/dbraw/zinc/92/50/99/1223925099.db2.gz JAFVZSLZPFFNRJ-BFYDXBDKSA-N 0 3 358.442 0.173 20 30 FCEDHN C#CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NCCCC)C1 ZINC001214604807 1223925408 /nfs/dbraw/zinc/92/54/08/1223925408.db2.gz NHYJWIYRQXHXDA-RBSFLKMASA-N 0 3 366.462 0.087 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cnc(OC(C)C)cn2)C[C@H]1C ZINC001214629425 1223927532 /nfs/dbraw/zinc/92/75/32/1223927532.db2.gz IBQRZOANMBQYNU-UKRRQHHQSA-N 0 3 361.446 0.616 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cn(C3CCC3)nn2)C[C@H]1C ZINC001214652440 1223929558 /nfs/dbraw/zinc/92/95/58/1223929558.db2.gz ZGHDIADXRMVMSH-UMVBOHGHSA-N 0 3 358.446 0.191 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCCOCC)C1 ZINC001214660035 1223930181 /nfs/dbraw/zinc/93/01/81/1223930181.db2.gz ZGSVAPDGYBSWBO-VQHPVUNQSA-N 0 3 367.490 0.557 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccn(CC(C)C)n2)C[C@H]1C ZINC001214739493 1223937709 /nfs/dbraw/zinc/93/77/09/1223937709.db2.gz ZVYPGBYHTXFVEG-HLLBOEOZSA-N 0 3 359.474 0.727 20 30 FCEDHN C=CCN1CC[C@H](N[C@@H]2CN(C(=O)CN(C)C(=O)C(C)C)C[C@H]2C)C1=O ZINC001214765913 1223939534 /nfs/dbraw/zinc/93/95/34/1223939534.db2.gz DQASOIDFJGONKI-OWCLPIDISA-N 0 3 364.490 0.324 20 30 FCEDHN C[C@@H]1CN(C(=O)CCOc2cccc(F)c2)C[C@H]1NCC(=O)NCC#N ZINC001214787578 1223942169 /nfs/dbraw/zinc/94/21/69/1223942169.db2.gz KBVMZHOWXBJRCI-CZUORRHYSA-N 0 3 362.405 0.671 20 30 FCEDHN COc1ccc2c(c1)CC[C@@H]2C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1 ZINC001214794848 1223943143 /nfs/dbraw/zinc/94/31/43/1223943143.db2.gz PDDHGOJNXLKRPF-JEBQAFNWSA-N 0 3 370.453 0.801 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cn(-c3cccnc3)nn2)C[C@H]1C ZINC001214796881 1223943402 /nfs/dbraw/zinc/94/34/02/1223943402.db2.gz NVFZSHMEUANEIC-UKRRQHHQSA-N 0 3 369.429 0.015 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnc3[nH]c(C)nc3c2)C[C@H]1C ZINC001214819761 1223945486 /nfs/dbraw/zinc/94/54/86/1223945486.db2.gz YYPUVIAXWLMBGN-BFQNTYOBSA-N 0 3 368.441 0.454 20 30 FCEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1C ZINC001214843903 1223947395 /nfs/dbraw/zinc/94/73/95/1223947395.db2.gz WQRMJVXTBONBCN-BZUAXINKSA-N 0 3 364.490 0.374 20 30 FCEDHN Cc1nn(CC(F)F)cc1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1 ZINC001214917235 1223954793 /nfs/dbraw/zinc/95/47/93/1223954793.db2.gz RGXGOHSFODRQJZ-ZWNOBZJWSA-N 0 3 368.388 0.147 20 30 FCEDHN C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001214928319 1223956490 /nfs/dbraw/zinc/95/64/90/1223956490.db2.gz WLPUNNVKFZSOMB-UKRRQHHQSA-N 0 3 361.446 0.657 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnc3n[nH]cc3c2)C[C@H]1C ZINC001214932367 1223957086 /nfs/dbraw/zinc/95/70/86/1223957086.db2.gz YNETXLZBCRMUAU-LALPHHSUSA-N 0 3 354.414 0.146 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C(C)(C)n2cnc(C)c2)C[C@H]1C ZINC001214948292 1223958374 /nfs/dbraw/zinc/95/83/74/1223958374.db2.gz NSAWUFZQRAFENS-FVQBIDKESA-N 0 3 359.474 0.501 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cnc3n2CCCCC3)C[C@H]1C ZINC001214952664 1223958954 /nfs/dbraw/zinc/95/89/54/1223958954.db2.gz GXOUQWJKNPJOOB-HUUCEWRRSA-N 0 3 357.458 0.409 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cc(C(F)F)ncn2)C[C@H]1C ZINC001214960221 1223959771 /nfs/dbraw/zinc/95/97/71/1223959771.db2.gz ANNDJAITPAISPP-JTNHKYCSSA-N 0 3 365.384 0.602 20 30 FCEDHN Cc1noc(C)c1[C@@H](C)CC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1 ZINC001214990139 1223962441 /nfs/dbraw/zinc/96/24/41/1223962441.db2.gz ANOADCMXAACQKO-YWPYICTPSA-N 0 3 361.446 0.861 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cc(C)nnc2CC)C[C@H]1C ZINC001215004238 1223962665 /nfs/dbraw/zinc/96/26/65/1223962665.db2.gz VXCFZENONVTUED-SUYBPPKGSA-N 0 3 357.458 0.535 20 30 FCEDHN C[C@@H]1CN(C(=O)c2ccc3c(c2)ncn3C)C[C@H]1NCC(=O)NCC#N ZINC001215005774 1223963698 /nfs/dbraw/zinc/96/36/98/1223963698.db2.gz HYHJWGMSKZOLEN-IUODEOHRSA-N 0 3 354.414 0.263 20 30 FCEDHN C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1NCC#Cc1ccc(F)cc1 ZINC001215010425 1223964020 /nfs/dbraw/zinc/96/40/20/1223964020.db2.gz QNKCRHGHGWHCKJ-RHSMWYFYSA-N 0 3 371.416 0.209 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2n[nH]c3c2CCCC3)C[C@H]1C ZINC001215047682 1223967563 /nfs/dbraw/zinc/96/75/63/1223967563.db2.gz RCSVKVYBFMMXLL-XJKCOSOUSA-N 0 3 357.458 0.477 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)c2ccnnc2C)C[C@H]1C ZINC001215066988 1223970011 /nfs/dbraw/zinc/97/00/11/1223970011.db2.gz JHELYFWSIGEQAA-CZUORRHYSA-N 0 3 358.446 0.597 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cccc3ncnn32)C[C@H]1C ZINC001215075468 1223970800 /nfs/dbraw/zinc/97/08/00/1223970800.db2.gz OMTZXNUXHAWHGQ-HZSPNIEDSA-N 0 3 356.430 0.470 20 30 FCEDHN C=CCN1CC[C@H](N[C@@H]2CN(C(=O)CCCCNC(N)=O)C[C@H]2C)C1=O ZINC001215088242 1223972451 /nfs/dbraw/zinc/97/24/51/1223972451.db2.gz PLSAWSGEDULVRH-QLFBSQMISA-N 0 3 365.478 0.048 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ncc3ccccn32)C[C@H]1C ZINC001215138119 1223977509 /nfs/dbraw/zinc/97/75/09/1223977509.db2.gz GHVWCHUFQRVZQT-IIAWOOMASA-N 0 3 353.426 0.522 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)C(C)(C)COC)C[C@H]1C ZINC001215151399 1223978638 /nfs/dbraw/zinc/97/86/38/1223978638.db2.gz XPTOIXVEYDKFGZ-HZSPNIEDSA-N 0 3 368.478 0.496 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2cc(CC)nn2C)C[C@H]1C ZINC001215196482 1223981156 /nfs/dbraw/zinc/98/11/56/1223981156.db2.gz VAHJOMGLLBGWEH-CKEIUWERSA-N 0 3 359.474 0.099 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CC(C)(C)COC)C[C@H]1C ZINC001215213571 1223982768 /nfs/dbraw/zinc/98/27/68/1223982768.db2.gz CMFFCSVULYUXIR-ZIAGYGMSSA-N 0 3 368.478 0.497 20 30 FCEDHN CC(C)Oc1cnccc1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1 ZINC001215209764 1223982827 /nfs/dbraw/zinc/98/28/27/1223982827.db2.gz PISOREBLOJQHEH-UKRRQHHQSA-N 0 3 359.430 0.559 20 30 FCEDHN Cc1cc(F)c(CC(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)cc1F ZINC001215205591 1223982838 /nfs/dbraw/zinc/98/28/38/1223982838.db2.gz LLDGHFUKBOFWLT-MLGOLLRUSA-N 0 3 364.396 0.892 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cc(CC)nnc2C)C[C@H]1C ZINC001215222660 1223983932 /nfs/dbraw/zinc/98/39/32/1223983932.db2.gz YPKDMLIXBYHXTC-HACGYAERSA-N 0 3 357.458 0.535 20 30 FCEDHN C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCCCOC)C1 ZINC001215240066 1223985385 /nfs/dbraw/zinc/98/53/85/1223985385.db2.gz MVRIVJBYXOZVNN-MDZRGWNJSA-N 0 3 369.506 0.804 20 30 FCEDHN C[C@@H]1CN(C(=O)Cc2cccc3cccnc32)C[C@H]1NCC(=O)NCC#N ZINC001215269078 1223986870 /nfs/dbraw/zinc/98/68/70/1223986870.db2.gz KWKAHPYFUSEPJM-RHSMWYFYSA-N 0 3 365.437 0.854 20 30 FCEDHN CC(=O)N(C)c1ccccc1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1 ZINC001215267079 1223986923 /nfs/dbraw/zinc/98/69/23/1223986923.db2.gz WVPGKCZJWGOMHS-CZUORRHYSA-N 0 3 371.441 0.359 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)CCc2nc(C(C)C)no2)C[C@H]1C ZINC001215274850 1223987715 /nfs/dbraw/zinc/98/77/15/1223987715.db2.gz HDDWPBJRVUGRGQ-ZIAGYGMSSA-N 0 3 361.446 0.312 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCNC(=O)C(C)(C)C)C[C@H]1C ZINC001215277526 1223988133 /nfs/dbraw/zinc/98/81/33/1223988133.db2.gz VDUGCCJSAAUETD-RBSFLKMASA-N 0 3 364.490 0.113 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc3ccc(OC)cc3[nH]2)C[C@H]1C ZINC001215283899 1223988720 /nfs/dbraw/zinc/98/87/20/1223988720.db2.gz LGLZNUNRGIODDE-FZKQIMNGSA-N 0 3 368.437 0.976 20 30 FCEDHN CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1)c1ccncc1 ZINC001215394473 1223995834 /nfs/dbraw/zinc/99/58/34/1223995834.db2.gz BWAVJFZTMWBBAK-KYJSFNMBSA-N 0 3 357.458 0.897 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCc2ccc(=O)[nH]c2)C[C@H]1C ZINC001215395822 1223996420 /nfs/dbraw/zinc/99/64/20/1223996420.db2.gz SZELXIWSYMQHMD-IJEWVQPXSA-N 0 3 358.442 0.294 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc3ccccc3n2C)C[C@H]1C ZINC001215412408 1223997929 /nfs/dbraw/zinc/99/79/29/1223997929.db2.gz JZNWXEJNYZTMCR-GDBMZVCRSA-N 0 3 352.438 0.978 20 30 FCEDHN C[C@@H]1CN(C(=O)c2ccc3ncccc3c2)C[C@H]1NCC(=O)NCC#N ZINC001215451269 1224000013 /nfs/dbraw/zinc/00/00/13/1224000013.db2.gz FYJCCPNNLPPESQ-CXAGYDPISA-N 0 3 351.410 0.925 20 30 FCEDHN C=CCC1(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N3CCNC(=O)C3)C2)CCC1 ZINC001215478288 1224001124 /nfs/dbraw/zinc/00/11/24/1224001124.db2.gz NWZZGQOGRQAZBE-HUUCEWRRSA-N 0 3 362.474 0.128 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(-n3cccn3)ccn2)C[C@H]1C ZINC001215514558 1224003149 /nfs/dbraw/zinc/00/31/49/1224003149.db2.gz SEYODWQNEPSGIW-RHSMWYFYSA-N 0 3 368.441 0.620 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cccc(-n3cccn3)n2)C[C@H]1C ZINC001215516731 1224003496 /nfs/dbraw/zinc/00/34/96/1224003496.db2.gz SRCPBCYXYNXUGS-GDBMZVCRSA-N 0 3 368.441 0.620 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cn(CCC(C)C)nn2)C[C@H]1C ZINC001215523984 1224004743 /nfs/dbraw/zinc/00/47/43/1224004743.db2.gz VBDIKGCYJWPLMJ-HUUCEWRRSA-N 0 3 360.462 0.124 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(-c3ccco3)n[nH]2)C[C@H]1C ZINC001215626110 1224011052 /nfs/dbraw/zinc/01/10/52/1224011052.db2.gz NTRPOFVSIXZCMI-IUODEOHRSA-N 0 3 355.398 0.469 20 30 FCEDHN C[C@@H]1CN(C(=O)Cc2cc(F)c(F)cc2F)C[C@H]1NCC(=O)NCC#N ZINC001215669456 1224011854 /nfs/dbraw/zinc/01/18/54/1224011854.db2.gz NXDNWLXAIDZQJN-MEBBXXQBSA-N 0 3 368.359 0.723 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@H]1C ZINC001215693442 1224012411 /nfs/dbraw/zinc/01/24/11/1224012411.db2.gz OKPKRJNBLUCXOJ-XHBSWPGZSA-N 0 3 369.425 0.457 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cnnn2-c2ccccc2)C[C@H]1C ZINC001215705452 1224013352 /nfs/dbraw/zinc/01/33/52/1224013352.db2.gz LVHFUJMQUWGCJL-GDBMZVCRSA-N 0 3 366.425 0.067 20 30 FCEDHN Cc1ncc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)c(C(C)C)n1 ZINC001215771542 1224017062 /nfs/dbraw/zinc/01/70/62/1224017062.db2.gz OHGVDOCETZYEHB-IUODEOHRSA-N 0 3 358.446 0.598 20 30 FCEDHN COc1ccc(C#N)cc1CN[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C ZINC001215825251 1224019565 /nfs/dbraw/zinc/01/95/65/1224019565.db2.gz LNUHWJMIWHGWQX-CZUORRHYSA-N 0 3 358.442 0.982 20 30 FCEDHN C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N(CC)C3CC3)C2)nn1 ZINC001215832160 1224019572 /nfs/dbraw/zinc/01/95/72/1224019572.db2.gz CQKRJHPKEAKEDD-UKRRQHHQSA-N 0 3 360.462 0.525 20 30 FCEDHN CCCc1cc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)cc(=O)[nH]1 ZINC001215844966 1224020681 /nfs/dbraw/zinc/02/06/81/1224020681.db2.gz RSKDGDADIZYSLU-IUODEOHRSA-N 0 3 359.430 0.430 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2ccccc2COC)C[C@H]1C ZINC001215873512 1224021926 /nfs/dbraw/zinc/02/19/26/1224021926.db2.gz SQYVTDGGSIEDLM-GPMSIDNRSA-N 0 3 371.481 0.950 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(CNC(C)=O)o2)C[C@H]1C ZINC001215949585 1224026952 /nfs/dbraw/zinc/02/69/52/1224026952.db2.gz ZNHCHEMLWURVBT-IUODEOHRSA-N 0 3 362.430 0.268 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ccnc(NC(C)=O)c2)C[C@H]1C ZINC001215998793 1224029204 /nfs/dbraw/zinc/02/92/04/1224029204.db2.gz BVNSVUUNLQBJKW-XJKCOSOUSA-N 0 3 371.441 0.228 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cccc3nccnc32)C[C@H]1C ZINC001216049585 1224031376 /nfs/dbraw/zinc/03/13/76/1224031376.db2.gz FPCRJWPFPAPWKB-JKIFEVAISA-N 0 3 365.437 0.818 20 30 FCEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)CCCCC(N)=O)C[C@H]1C ZINC001216309905 1224043526 /nfs/dbraw/zinc/04/35/26/1224043526.db2.gz HJQBBAWFEQNWPV-HZPDHXFCSA-N 0 3 364.490 0.669 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnn(C(C)C)c2C)C[C@H]1C ZINC001216319740 1224044095 /nfs/dbraw/zinc/04/40/95/1224044095.db2.gz FINDSNBSLJLXDM-JKIFEVAISA-N 0 3 359.474 0.960 20 30 FCEDHN C[C@@H](NC(=O)CC(C)(C)C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1 ZINC001216339889 1224045494 /nfs/dbraw/zinc/04/54/94/1224045494.db2.gz IVCUHCWLFWHKEK-MGPQQGTHSA-N 0 3 365.478 0.004 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)cn2)C[C@H]1C ZINC001216361735 1224046547 /nfs/dbraw/zinc/04/65/47/1224046547.db2.gz JZSOXRWJAQSDCZ-RHSMWYFYSA-N 0 3 368.441 0.620 20 30 FCEDHN C[C@@H]1CN(C(=O)C[C@@H]2OCCc3ccccc32)C[C@H]1NCC(=O)NCC#N ZINC001216451750 1224052065 /nfs/dbraw/zinc/05/20/65/1224052065.db2.gz FMOHBLYGKAZWOK-OLMNPRSZSA-N 0 3 370.453 0.767 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2nn(C)c3ccccc32)C[C@H]1C ZINC001216468286 1224052442 /nfs/dbraw/zinc/05/24/42/1224052442.db2.gz CACSRQPLEZBXGE-IIAWOOMASA-N 0 3 367.453 0.761 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccc(NC(C)=O)cc2)C[C@H]1C ZINC001216530823 1224054941 /nfs/dbraw/zinc/05/49/41/1224054941.db2.gz KSSGUGVDWMTFSF-QWQRMKEZSA-N 0 3 370.453 0.833 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cc2ccccc2C#C)C[C@H]1C ZINC001216561201 1224055920 /nfs/dbraw/zinc/05/59/20/1224055920.db2.gz RBUZWQHSCCGJQZ-JTDSTZFVSA-N 0 3 351.450 0.785 20 30 FCEDHN Cc1ncc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)c(C2CC2)n1 ZINC001216630633 1224059371 /nfs/dbraw/zinc/05/93/71/1224059371.db2.gz KQOAZQVYKMHDAS-IAQYHMDHSA-N 0 3 356.430 0.352 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cc2cccc(OC)c2)C[C@H]1C ZINC001216652007 1224060292 /nfs/dbraw/zinc/06/02/92/1224060292.db2.gz SLURYVZWQKDBPC-RVKKMQEKSA-N 0 3 357.454 0.812 20 30 FCEDHN COc1ccc(CCC(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)cc1 ZINC001216701874 1224062158 /nfs/dbraw/zinc/06/21/58/1224062158.db2.gz ANFYUPPTISNDSK-RHSMWYFYSA-N 0 3 358.442 0.704 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)COc2ccc(C)cc2)C[C@H]1C ZINC001216698510 1224062220 /nfs/dbraw/zinc/06/22/20/1224062220.db2.gz VMVRVUYGLQZQPW-SOLBZPMBSA-N 0 3 357.454 0.948 20 30 FCEDHN C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@H]1NCC#Cc1ccccc1 ZINC001216714103 1224063806 /nfs/dbraw/zinc/06/38/06/1224063806.db2.gz USACKUDKAUKJAT-DJIMGWMZSA-N 0 3 368.437 0.463 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C(=O)Nc2cc(C)on2)C[C@H]1C ZINC001216742975 1224067223 /nfs/dbraw/zinc/06/72/23/1224067223.db2.gz YWRCRZPCKJSJAK-KGYLQXTDSA-N 0 3 363.418 0.049 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnc3n[nH]c(C)c3c2)C[C@H]1C ZINC001216754129 1224068390 /nfs/dbraw/zinc/06/83/90/1224068390.db2.gz IPVSVLHPKKHIPB-PVXIVEMSSA-N 0 3 368.441 0.454 20 30 FCEDHN C[C@@H]1CN(C(=O)c2n[nH]c3c2CCCCC3)C[C@H]1NCC(=O)NCC#N ZINC001216757880 1224069536 /nfs/dbraw/zinc/06/95/36/1224069536.db2.gz PQNWELZWIRZXRL-IUODEOHRSA-N 0 3 358.446 0.368 20 30 FCEDHN CC(=O)N1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001216791716 1224072557 /nfs/dbraw/zinc/07/25/57/1224072557.db2.gz MWPHKIPSCYSIEQ-NSISKUIASA-N 0 3 369.465 0.722 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCC(=O)N(CC)CC)C[C@H]1C ZINC001216816469 1224074704 /nfs/dbraw/zinc/07/47/04/1224074704.db2.gz CGRMVNVNAQLWPJ-OWCLPIDISA-N 0 3 366.506 0.762 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccc(N(C)C)cn2)C[C@H]1C ZINC001216868962 1224080126 /nfs/dbraw/zinc/08/01/26/1224080126.db2.gz NHSJLYJVPBRGGB-JKIFEVAISA-N 0 3 357.458 0.336 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(NC(=O)NC)cc2)C[C@H]1C ZINC001216881360 1224080660 /nfs/dbraw/zinc/08/06/60/1224080660.db2.gz RGDPUFSTYJILFF-CZUORRHYSA-N 0 3 371.441 0.237 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2c3ccccc3NC2=O)C[C@H]1C ZINC001216964710 1224082218 /nfs/dbraw/zinc/08/22/18/1224082218.db2.gz HJVUJZGQBTVBSP-FRFSOERESA-N 0 3 370.453 0.851 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CN(C)c2ccccc2)C[C@H]1C ZINC001216974142 1224082782 /nfs/dbraw/zinc/08/27/82/1224082782.db2.gz AIMDBSDAHLEUAV-JFIYKMOQSA-N 0 3 356.470 0.697 20 30 FCEDHN Cc1nn(C)c(C)c1[C@H](C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1 ZINC001217052235 1224086670 /nfs/dbraw/zinc/08/66/70/1224086670.db2.gz OPKACBSZNOHQEV-TYNCELHUSA-N 0 3 360.462 0.217 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnc(OCC)cn2)C[C@H]1C ZINC001217073037 1224087425 /nfs/dbraw/zinc/08/74/25/1224087425.db2.gz SZRUNRZRWIWUHH-VNHYZAJKSA-N 0 3 359.430 0.063 20 30 FCEDHN Cn1cnc([C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2NC(=O)c2[nH]ncc2F)c1 ZINC000993536248 1249660515 /nfs/dbraw/zinc/66/05/15/1249660515.db2.gz KENAPFUMKQFIJC-SWLSCSKDSA-N 0 3 370.388 0.420 20 30 FCEDHN C#CCN1CCC(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3c3cccnc3)C2)CC1 ZINC000993854751 1250027133 /nfs/dbraw/zinc/02/71/33/1250027133.db2.gz IONOLARAXKUMBY-RBUKOAKNSA-N 0 3 366.465 0.857 20 30 FCEDHN N#CC(C(=O)CCC(=O)N1CC(=O)Nc2ccccc21)C(=O)NC1CC1 ZINC000916926477 1245544980 /nfs/dbraw/zinc/54/49/80/1245544980.db2.gz CZHWFOBHRLTDQL-GFCCVEGCSA-N 0 3 354.366 0.739 20 30 FCEDHN CC(C)NC(=O)C(C#N)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000916947235 1245545602 /nfs/dbraw/zinc/54/56/02/1245545602.db2.gz WPIDYDVFWNOIOO-NSHDSACASA-N 0 3 360.326 0.554 20 30 FCEDHN N#CC(C(=O)Cn1cnc([N+](=O)[O-])n1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000919667217 1245609919 /nfs/dbraw/zinc/60/99/19/1245609919.db2.gz RMTGPUBMSNZKQX-JTQLQIEISA-N 0 3 372.297 0.305 20 30 FCEDHN C#CCN1CCC(C(=O)NC[C@@H]2CN(C(=O)Cc3cc[nH]n3)C[C@H]2C)CC1 ZINC000994133571 1250210742 /nfs/dbraw/zinc/21/07/42/1250210742.db2.gz CANBQLGGBJQXOI-NVXWUHKLSA-N 0 3 371.485 0.508 20 30 FCEDHN C#CCN1CCC(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)CC1 ZINC000941265997 1246531826 /nfs/dbraw/zinc/53/18/26/1246531826.db2.gz SDAZTKDLCMZJIL-BRWVUGGUSA-N 0 3 369.469 0.576 20 30 FCEDHN C#CCN1CCC(C(=O)NC[C@H]2CCCN2C(=O)[C@]23C[C@H]2COC3)CC1 ZINC000944067043 1247461604 /nfs/dbraw/zinc/46/16/04/1247461604.db2.gz CHTZBFIPKWKIMH-QKLQHJQFSA-N 0 3 359.470 0.475 20 30 FCEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2OC)cn1 ZINC000944098952 1247472082 /nfs/dbraw/zinc/47/20/82/1247472082.db2.gz BBFCIFYXUSTHEV-ZTFGCOKTSA-N 0 3 370.453 0.503 20 30 FCEDHN C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2OC)cn1 ZINC000944115986 1247480868 /nfs/dbraw/zinc/48/08/68/1247480868.db2.gz YQEVUWXDWAKHAQ-QZTJIDSGSA-N 0 3 370.453 0.503 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]21 ZINC000976592247 1248265254 /nfs/dbraw/zinc/26/52/54/1248265254.db2.gz NYODXYGCTCXLFV-OUWVOHMFSA-N 0 3 361.486 0.882 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4OCC[C@H]4C)C[C@H]32)CC1 ZINC000976655944 1248326053 /nfs/dbraw/zinc/32/60/53/1248326053.db2.gz PRRFLMHBRMIMJP-MWIANEHASA-N 0 3 359.470 0.330 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCC(=O)N2CCOCC2)C(C)(C)C1 ZINC000996330960 1251318541 /nfs/dbraw/zinc/31/85/41/1251318541.db2.gz OGYRTKYZOVBENP-OWCLPIDISA-N 0 3 365.474 0.263 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@]23C[C@H]2COC3)CC1 ZINC000997357954 1251558540 /nfs/dbraw/zinc/55/85/40/1251558540.db2.gz RQMLAEMSQJVKRP-UONLAYADSA-N 0 3 371.481 0.616 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](O)C(C)C)CC1 ZINC000997356994 1251558736 /nfs/dbraw/zinc/55/87/36/1251558736.db2.gz ICFMFBPMLASBTR-VSZNYVQBSA-N 0 3 361.486 0.597 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2nc[nH]n2)CC1 ZINC000997358012 1251559690 /nfs/dbraw/zinc/55/96/90/1251559690.db2.gz TWPQHBABMFHODU-ILXRZTDVSA-N 0 3 356.430 0.012 20 30 FCEDHN CC(C)Cn1c(C2CCN(CCO)CC2)nnc1N1CCO[C@@H](C#N)C1 ZINC001517161123 1265588216 /nfs/dbraw/zinc/58/82/16/1265588216.db2.gz KFSVCBHPKYTFOL-INIZCTEOSA-N 0 3 362.478 0.835 20 30 FCEDHN C=CCn1cc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2nc[nH]c2C)C3)nn1 ZINC000999020463 1252029212 /nfs/dbraw/zinc/02/92/12/1252029212.db2.gz XYYRQVCHTWYBCE-INWMFGNUSA-N 0 3 369.429 0.600 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CCO[C@H]2C2CCN(C(C)=O)CC2)CC1 ZINC001001791187 1252343142 /nfs/dbraw/zinc/34/31/42/1252343142.db2.gz GBIZZDOUFDZVPC-MOPGFXCFSA-N 0 3 361.486 0.864 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CCN(CCN2CCNC2=O)CC1 ZINC001001930470 1252395495 /nfs/dbraw/zinc/39/54/95/1252395495.db2.gz GMICIWRHCMKBAB-IRXDYDNUSA-N 0 3 364.490 0.821 20 30 FCEDHN C#CCN1CCC(C(=O)NCC2CN(C(=O)[C@@H]3CCO[C@H]3CC)C2)CC1 ZINC001002479646 1252569838 /nfs/dbraw/zinc/56/98/38/1252569838.db2.gz WBUGFBGINAPVEC-MSOLQXFVSA-N 0 3 361.486 0.721 20 30 FCEDHN C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CC[C@H](C)C2)nn1 ZINC001002760073 1252665210 /nfs/dbraw/zinc/66/52/10/1252665210.db2.gz VKFOULBDIJQQQF-HWMZRRJGSA-N 0 3 372.473 0.668 20 30 FCEDHN C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CCCN2C)nn1 ZINC001002765229 1252667786 /nfs/dbraw/zinc/66/77/86/1252667786.db2.gz NRHLKMYGGRUNKF-VDERGJSUSA-N 0 3 358.446 0.420 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2=COCCO2)CC1 ZINC001003362586 1252874718 /nfs/dbraw/zinc/87/47/18/1252874718.db2.gz BNHZUQBIHZPKFM-ZACQAIPSSA-N 0 3 373.453 0.468 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1COCCN1C(=O)CN(CC)CC ZINC001061621123 1254194210 /nfs/dbraw/zinc/19/42/10/1254194210.db2.gz NZTGCTCNKNKKTF-BBWFWOEESA-N 0 3 367.490 0.653 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001065205774 1254488734 /nfs/dbraw/zinc/48/87/34/1254488734.db2.gz HPEDQGLQONTBDR-BBWFWOEESA-N 0 3 367.490 0.651 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN([C@@H](C)c3ncccn3)C[C@H]2O)CC1 ZINC001078227309 1255339157 /nfs/dbraw/zinc/33/91/57/1255339157.db2.gz UJKSUCVFEVRKRI-USXIJHARSA-N 0 3 357.458 0.044 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(CCOc3ccccc3)C[C@H]2O)CC1 ZINC001078227253 1255340137 /nfs/dbraw/zinc/34/01/37/1255340137.db2.gz QJCXJOABZNHYPM-WOJBJXKFSA-N 0 3 371.481 0.572 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(Cc3ccccc3F)C[C@H]2O)CC1 ZINC001078228478 1255342773 /nfs/dbraw/zinc/34/27/73/1255342773.db2.gz RZWYCBILUSRNQQ-RTBURBONSA-N 0 3 359.445 0.832 20 30 FCEDHN C#CCN1CCC2(CN(C(=O)Cn3cccc(C)c3=O)[C@@H]3COC[C@@H]32)CC1 ZINC001079241981 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ZINC001253575663 1259844322 /nfs/dbraw/zinc/84/43/22/1259844322.db2.gz BEERYINWIFSMTK-BEFAXECRSA-N 0 3 364.490 0.461 20 30 FCEDHN CN1CC[C@H](N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)C1 ZINC001255431965 1259913488 /nfs/dbraw/zinc/91/34/88/1259913488.db2.gz NJSXPNUEFIYGNC-ICSRJNTNSA-N 0 3 370.453 0.697 20 30 FCEDHN C=C[C@@H]1CCCCN1C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC001257795859 1260030727 /nfs/dbraw/zinc/03/07/27/1260030727.db2.gz ATJLNIZSJULIKY-CVEARBPZSA-N 0 3 364.490 0.612 20 30 FCEDHN N#CCOc1ccc(CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cc1 ZINC001258143785 1260036099 /nfs/dbraw/zinc/03/60/99/1260036099.db2.gz HXSWMGCQMBVGTI-INIZCTEOSA-N 0 3 356.426 0.806 20 30 FCEDHN C=CCNC(=O)CNC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC001336771809 1260218859 /nfs/dbraw/zinc/21/88/59/1260218859.db2.gz WRHGOZIIISXUEJ-QGZVFWFLSA-N 0 3 362.474 0.070 20 30 FCEDHN Cn1cc(CN2CCC3(C2)CCN(C(=O)CNC(N)=O)CC3)cc1C#N ZINC001272057808 1260457660 /nfs/dbraw/zinc/45/76/60/1260457660.db2.gz MMICYNDGBQOBTO-UHFFFAOYSA-N 0 3 358.446 0.380 20 30 FCEDHN N#CC1(NC(=O)c2cnc3n2CCN(C(=O)Cc2c[nH]cn2)C3)CCC1 ZINC001272971855 1260544089 /nfs/dbraw/zinc/54/40/89/1260544089.db2.gz SZHMCIOTMCAANL-UHFFFAOYSA-N 0 3 353.386 0.367 20 30 FCEDHN C=CCOC[C@@H](O)CN1CCOC[C@]2(CC(=O)N(Cc3cnoc3)C2)C1 ZINC001277778458 1260669338 /nfs/dbraw/zinc/66/93/38/1260669338.db2.gz MTDWHANQXLVMGM-FUHWJXTLSA-N 0 3 365.430 0.289 20 30 FCEDHN C=CCOC[C@@H](O)CN1CC[C@]2(C1)CN(Cc1ccncc1)C(=O)CO2 ZINC001277778623 1260670247 /nfs/dbraw/zinc/67/02/47/1260670247.db2.gz PVNPIENMNIDMHW-HKUYNNGSSA-N 0 3 361.442 0.448 20 30 FCEDHN Cc1ncc(CO)c(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N3CC(CC#N)C3)C2)c1[O-] ZINC001280035400 1260981187 /nfs/dbraw/zinc/98/11/87/1260981187.db2.gz ASWUYKVZRZAZGL-DNVCBOLYSA-N 0 3 356.426 0.782 20 30 FCEDHN Cc1ncc(CO)c(C[N@H+]2C[C@H]3C[C@@]3(C(=O)N3CC(CC#N)C3)C2)c1[O-] ZINC001280035400 1260981191 /nfs/dbraw/zinc/98/11/91/1260981191.db2.gz ASWUYKVZRZAZGL-DNVCBOLYSA-N 0 3 356.426 0.782 20 30 FCEDHN C=CCN(CCN1CC2(C[C@@H]2C(=O)NCc2cnc[nH]2)C1)C(=O)OCC ZINC001280089010 1260995790 /nfs/dbraw/zinc/99/57/90/1260995790.db2.gz MPRRAHYSQKGPHG-OAHLLOKOSA-N 0 3 361.446 0.992 20 30 FCEDHN CC1(C)OCC(CN2C[C@@H]3C(C(=O)NC4(C#N)CCC4)=NO[C@@H]3C2)CO1 ZINC001280127516 1261011708 /nfs/dbraw/zinc/01/17/08/1261011708.db2.gz VCJRJBASWIMSMB-UONOGXRCSA-N 0 3 362.430 0.635 20 30 FCEDHN N#CCCCCN1C[C@@H]2[C@H](C1)OCCN2C(=O)C1=CNN2C=CNC=C12 ZINC001280186912 1261024624 /nfs/dbraw/zinc/02/46/24/1261024624.db2.gz XSLWUNWGLOMDIX-SJORKVTESA-N 0 3 356.430 0.212 20 30 FCEDHN CN1CCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N)c2C#N)CC1 ZINC001307074408 1263195297 /nfs/dbraw/zinc/19/52/97/1263195297.db2.gz BZZYKJDFQHFZRK-HNNXBMFYSA-N 0 3 358.402 0.791 20 30 FCEDHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCc1ccc(C#N)cc1 ZINC001322410491 1264191541 /nfs/dbraw/zinc/19/15/41/1264191541.db2.gz ZIAKCGKDVQMCCX-UHFFFAOYSA-N 0 3 357.458 0.270 20 30 FCEDHN COCCN(C)CCn1c(N2CCO[C@H](C#N)C2)nnc1C(C)(C)C ZINC001504861884 1264249857 /nfs/dbraw/zinc/24/98/57/1264249857.db2.gz RUWFJKRQYHJDMU-CQSZACIVSA-N 0 3 350.467 0.883 20 30 FCEDHN C#CCOCCNC(=O)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC001323027005 1264319657 /nfs/dbraw/zinc/31/96/57/1264319657.db2.gz OLJOVNCYUHBIAK-HNNXBMFYSA-N 0 3 358.442 0.489 20 30 FCEDHN C#CC[C@@H](NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1)c1ccccc1 ZINC001323330113 1264403567 /nfs/dbraw/zinc/40/35/67/1264403567.db2.gz DMEWLUNWOYIQJM-IEBWSBKVSA-N 0 3 370.497 0.867 20 30 FCEDHN C[C@H](NC(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1)C1=CCN(C)CC1 ZINC001323781521 1264513055 /nfs/dbraw/zinc/51/30/55/1264513055.db2.gz PRNADFFIZVXFKQ-AWEZNQCLSA-N 0 3 368.437 0.914 20 30 FCEDHN N#C[C@H]1CN(C(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)CCO1 ZINC001323949879 1264546788 /nfs/dbraw/zinc/54/67/88/1264546788.db2.gz IEWAZNIVBPPFQM-INIZCTEOSA-N 0 3 362.474 0.900 20 30 FCEDHN Cc1cc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)n(CCC#N)n1 ZINC001324219988 1264598883 /nfs/dbraw/zinc/59/88/83/1264598883.db2.gz PIWQLTLSOJMXIZ-UONOGXRCSA-N 0 3 360.418 0.023 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC3(CCN(C)C3=O)CC2)CC1 ZINC001324406038 1264637671 /nfs/dbraw/zinc/63/76/71/1264637671.db2.gz IDXTXHVKLAPQIJ-UHFFFAOYSA-N 0 3 362.474 0.224 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC(c3nncn3C)CC2)CC1 ZINC001324406175 1264637796 /nfs/dbraw/zinc/63/77/96/1264637796.db2.gz KWHHXAWVSFXMDZ-UHFFFAOYSA-N 0 3 360.462 0.288 20 30 FCEDHN C#CCOc1ccccc1CNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC001325390913 1264870303 /nfs/dbraw/zinc/87/03/03/1264870303.db2.gz CTVDGLYTAMSTCL-ZFWWWQNUSA-N 0 3 359.426 0.544 20 30 FCEDHN N#Cc1ccc(N2C[C@H](C(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2=O)cc1 ZINC001325578535 1264935027 /nfs/dbraw/zinc/93/50/27/1264935027.db2.gz CEPJHIUKRZYSME-NJAFHUGGSA-N 0 3 368.437 0.891 20 30 FCEDHN C=CCn1cc(CNC(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)nn1 ZINC001325911211 1265021615 /nfs/dbraw/zinc/02/16/15/1265021615.db2.gz PAPDGIHLGUYFQU-KRWDZBQOSA-N 0 3 370.457 0.369 20 30 FCEDHN C[C@H](C[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)c1ccc(C#N)[nH]1 ZINC001580408764 1278249489 /nfs/dbraw/zinc/24/94/89/1278249489.db2.gz RSNYIMDIBLVIHG-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN C[C@H](C[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)c1ccc(C#N)[nH]1 ZINC001580408764 1278249496 /nfs/dbraw/zinc/24/94/96/1278249496.db2.gz RSNYIMDIBLVIHG-LLVKDONJSA-N 0 3 350.386 0.975 20 30 FCEDHN C#CCOCCNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001332835422 1266490209 /nfs/dbraw/zinc/49/02/09/1266490209.db2.gz MFMFORROJDAIFI-QGZVFWFLSA-N 0 3 360.458 0.238 20 30 FCEDHN Cn1c(-c2ccnc(C#N)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001339933209 1268376798 /nfs/dbraw/zinc/37/67/98/1268376798.db2.gz HULBLAMXIOGRCD-CQSZACIVSA-N 0 3 353.430 0.907 20 30 FCEDHN Cn1c(-c2ccnc(C#N)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001339933208 1268377536 /nfs/dbraw/zinc/37/75/36/1268377536.db2.gz HULBLAMXIOGRCD-AWEZNQCLSA-N 0 3 353.430 0.907 20 30 FCEDHN C=CCn1c(-c2ccc(=O)[nH]n2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001340372755 1268525585 /nfs/dbraw/zinc/52/55/85/1268525585.db2.gz NFSMTKUDBCZRFI-CQSZACIVSA-N 0 3 371.445 0.785 20 30 FCEDHN C=CCn1c(-c2cc(CO)on2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001340465038 1268556473 /nfs/dbraw/zinc/55/64/73/1268556473.db2.gz JNSVKJPHBJJBGO-UHFFFAOYSA-N 0 3 374.445 0.912 20 30 FCEDHN C#CCn1ccc(CN(CC)C(=O)C(=O)N[C@H](C)CN2CCCCC2)n1 ZINC001340477465 1268562370 /nfs/dbraw/zinc/56/23/70/1268562370.db2.gz FNWULBFUJSBCIH-MRXNPFEDSA-N 0 3 359.474 0.855 20 30 FCEDHN Nc1cnnc(N=NC2CCN(CCN3CCOCC3)CC2)c1Cl ZINC001340510934 1268572015 /nfs/dbraw/zinc/57/20/15/1268572015.db2.gz YZMFDDYSDYSBIL-UHFFFAOYSA-N 0 3 353.858 0.908 20 30 FCEDHN COC1CCN(C(C)(C)CNC(=O)C(=O)Nc2cnn(CC#N)c2)CC1 ZINC001340839705 1268676851 /nfs/dbraw/zinc/67/68/51/1268676851.db2.gz XKSRJJITSGZANK-UHFFFAOYSA-N 0 3 362.434 0.351 20 30 FCEDHN C#CCN(C)CCCNC(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC001341139975 1268799587 /nfs/dbraw/zinc/79/95/87/1268799587.db2.gz UWANUCBIOPJTTQ-UHFFFAOYSA-N 0 3 352.460 0.812 20 30 FCEDHN C=C[C@H](COC)NC(=O)C(=O)NCc1cccc(CN2CCN(C)CC2)c1 ZINC001341719771 1269169735 /nfs/dbraw/zinc/16/97/35/1269169735.db2.gz PHZURPYXRCBLKB-GOSISDBHSA-N 0 3 374.485 0.367 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)CC1 ZINC001341898036 1269257972 /nfs/dbraw/zinc/25/79/72/1269257972.db2.gz KEHVAUDIYUNKPA-UHFFFAOYSA-N 0 3 368.437 0.914 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001341900210 1269259159 /nfs/dbraw/zinc/25/91/59/1269259159.db2.gz XGSUNVNNCKOHOB-OAHLLOKOSA-N 0 3 371.503 0.179 20 30 FCEDHN CN(C)C(=O)c1ccc(NC(=O)C(C#N)C(=O)c2cc3n(n2)CCO3)cc1 ZINC001341930718 1269270632 /nfs/dbraw/zinc/27/06/32/1269270632.db2.gz QAMCXHCQVBDZOI-CYBMUJFWSA-N 0 3 367.365 0.938 20 30 FCEDHN C=C(C)Cn1c(CO)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001341961487 1269279481 /nfs/dbraw/zinc/27/94/81/1269279481.db2.gz ZYWOCAOAHWDNEQ-UHFFFAOYSA-N 0 3 350.467 0.337 20 30 FCEDHN C=C(C)Cn1c(C[C@@H](C)O)nnc1N1CCC(N2CCN(C)CC2)CC1 ZINC001342010717 1269302832 /nfs/dbraw/zinc/30/28/32/1269302832.db2.gz JKQICSDAKLMOEU-MRXNPFEDSA-N 0 3 362.522 0.994 20 30 FCEDHN COCCNC(=O)C(C#N)C(=O)CSc1nnnn1C1CCCC1 ZINC001342605008 1269534648 /nfs/dbraw/zinc/53/46/48/1269534648.db2.gz IUPUMVINBJDLSY-NSHDSACASA-N 0 3 352.420 0.352 20 30 FCEDHN COCCn1c(C2CCN(CCO)CC2)nnc1N(C)[C@@H](C)CC#N ZINC001342755348 1269591104 /nfs/dbraw/zinc/59/11/04/1269591104.db2.gz BSKQGNZLKHJBIK-AWEZNQCLSA-N 0 3 350.467 0.835 20 30 FCEDHN C=C(C)Cn1c(C2=NO[C@@H](CO)C2)nnc1N1CCN(CCOC)CC1 ZINC001343749347 1269998467 /nfs/dbraw/zinc/99/84/67/1269998467.db2.gz UCLRUMWVRFERKW-CQSZACIVSA-N 0 3 364.450 0.108 20 30 FCEDHN C#CCCCn1c(-c2ccc[nH]2)nnc1N1C[C@H]2[C@H](C1)S(=O)(=O)C[C@H]2N ZINC001574569717 1271369087 /nfs/dbraw/zinc/36/90/87/1271369087.db2.gz OUULBINABLCKHM-NFAWXSAZSA-N 0 3 374.470 0.247 20 30 FCEDHN C#CCN1CCC(N(Cc2c[nH]nn2)C(=O)CCCC(=O)NCC)CC1 ZINC001574986191 1271688819 /nfs/dbraw/zinc/68/88/19/1271688819.db2.gz VHNAOYNBSXASQV-UHFFFAOYSA-N 0 3 360.462 0.537 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2ccc(-c3c[nH]nn3)cc2)C1 ZINC001575004601 1271690650 /nfs/dbraw/zinc/69/06/50/1271690650.db2.gz GRVMRKZQUKYBLZ-CZUORRHYSA-N 0 3 366.425 0.414 20 30 FCEDHN C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)CCCCc3cn[nH]n3)C[C@@H]2C1 ZINC001575005108 1271691366 /nfs/dbraw/zinc/69/13/66/1271691366.db2.gz UWWWPPJKRHZSRN-CVEARBPZSA-N 0 3 372.473 0.047 20 30 FCEDHN C=CC(C)(C)CC(=O)NC[C@@H]1[C@H]2CN(CC(=O)NCc3c[nH]nn3)C[C@H]21 ZINC001575066796 1271706715 /nfs/dbraw/zinc/70/67/15/1271706715.db2.gz XRJRFQBYUQFFAO-QKDCVEJESA-N 0 3 360.462 0.317 20 30 FCEDHN C=CCCC(=O)N1CC2(C1)CCN([C@@H](C)C(=O)NCc1c[nH]nn1)CC2 ZINC001575085254 1271714798 /nfs/dbraw/zinc/71/47/98/1271714798.db2.gz GVTYSSFMPDYVSU-AWEZNQCLSA-N 0 3 360.462 0.700 20 30 FCEDHN C=CCCn1cc(C(=O)N[C@@H]2CC[C@@H](C)N(CCc3c[nH]nn3)C2)nn1 ZINC001575099949 1271720041 /nfs/dbraw/zinc/72/00/41/1271720041.db2.gz GYBXXKGNCSYCIS-UKRRQHHQSA-N 0 3 358.450 0.798 20 30 FCEDHN CC#CCN1CCC(N(Cc2cn[nH]n2)C(=O)CCc2cn(C)nn2)CC1 ZINC001575123147 1271733848 /nfs/dbraw/zinc/73/38/48/1271733848.db2.gz OCXIPNKSLUCUTA-UHFFFAOYSA-N 0 3 370.461 0.382 20 30 FCEDHN C[C@@H](C(=O)NCc1c[nH]nn1)N1CC[C@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001575221124 1271809499 /nfs/dbraw/zinc/80/94/99/1271809499.db2.gz SFROLFPKJVMLQX-UONOGXRCSA-N 0 3 360.462 0.297 20 30 FCEDHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC001575833642 1272499435 /nfs/dbraw/zinc/49/94/35/1272499435.db2.gz XPXYKLKWXORCGH-AEFFLSMTSA-N 0 3 357.458 0.495 20 30 FCEDHN COC(=O)CC[C@@H](N)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC001578808529 1276299818 /nfs/dbraw/zinc/29/98/18/1276299818.db2.gz DZQWBSJYPGIVJI-HUUCEWRRSA-N 0 3 358.398 0.056 20 30 FCEDHN C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H](O)c1cccc(-c2nnn[n-]2)c1 ZINC001579129998 1276818147 /nfs/dbraw/zinc/81/81/47/1276818147.db2.gz IQXVZIFAMPVVQH-OAHLLOKOSA-N 0 3 367.417 0.642 20 30 FCEDHN C[N@@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H](O)c1cccc(-c2nnn[n-]2)c1 ZINC001579129998 1276818166 /nfs/dbraw/zinc/81/81/66/1276818166.db2.gz IQXVZIFAMPVVQH-OAHLLOKOSA-N 0 3 367.417 0.642 20 30 FCEDHN C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001579129998 1276818182 /nfs/dbraw/zinc/81/81/82/1276818182.db2.gz IQXVZIFAMPVVQH-OAHLLOKOSA-N 0 3 367.417 0.642 20 30 FCEDHN C[N@@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001579129998 1276818200 /nfs/dbraw/zinc/81/82/00/1276818200.db2.gz IQXVZIFAMPVVQH-OAHLLOKOSA-N 0 3 367.417 0.642 20 30 FCEDHN COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001579618493 1277664378 /nfs/dbraw/zinc/66/43/78/1277664378.db2.gz LGGYHGGRNJOFJG-ZDUSSCGKSA-N 0 3 357.418 0.286 20 30 FCEDHN COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C)C#N)C2)cc1-c1nnn[n-]1 ZINC001580019511 1277991975 /nfs/dbraw/zinc/99/19/75/1277991975.db2.gz FPCCEVODNHPWBX-DGCLKSJQSA-N 0 3 355.402 0.725 20 30 FCEDHN COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)cc1-c1nnn[n-]1 ZINC001580019512 1277992258 /nfs/dbraw/zinc/99/22/58/1277992258.db2.gz FPCCEVODNHPWBX-WCQYABFASA-N 0 3 355.402 0.725 20 30 FCEDHN C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001580279656 1278075961 /nfs/dbraw/zinc/07/59/61/1278075961.db2.gz BUPLGROKQRZSHN-NSHDSACASA-N 0 3 350.386 0.975 20 30 FCEDHN C#CCCCC(=O)N(C)C[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001588337167 1282430489 /nfs/dbraw/zinc/43/04/89/1282430489.db2.gz ZBSATOCXMLZERN-OAHLLOKOSA-N 0 3 374.420 0.718 20 30 FCEDHN C#CCCCC(=O)N(C)C[C@H](O)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001588337167 1282430494 /nfs/dbraw/zinc/43/04/94/1282430494.db2.gz ZBSATOCXMLZERN-OAHLLOKOSA-N 0 3 374.420 0.718 20 30 FCEDHN C#CCN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC[NH+](CCCOC)CC1 ZINC001588348647 1282442589 /nfs/dbraw/zinc/44/25/89/1282442589.db2.gz GJDOPFRKXSVURE-UHFFFAOYSA-N 0 3 371.445 0.771 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588351486 1282447695 /nfs/dbraw/zinc/44/76/95/1282447695.db2.gz WTYVLJGWBZMCRE-INIZCTEOSA-N 0 3 371.420 0.309 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001588354818 1282449330 /nfs/dbraw/zinc/44/93/30/1282449330.db2.gz ABTRCMDLROJZMS-DYVFJYSZSA-N 0 3 368.441 0.889 20 30 FCEDHN C#CCO[C@H](C)C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001588354818 1282449334 /nfs/dbraw/zinc/44/93/34/1282449334.db2.gz ABTRCMDLROJZMS-DYVFJYSZSA-N 0 3 368.441 0.889 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588357220 1282465805 /nfs/dbraw/zinc/46/58/05/1282465805.db2.gz JEHQMDOTRTTXFG-STQMWFEESA-N 0 3 374.420 0.981 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588357220 1282465808 /nfs/dbraw/zinc/46/58/08/1282465808.db2.gz JEHQMDOTRTTXFG-STQMWFEESA-N 0 3 374.420 0.981 20 30 FCEDHN C#CCOCCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588358720 1282470989 /nfs/dbraw/zinc/47/09/89/1282470989.db2.gz ABRVQWAVMXZJNP-UONOGXRCSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCOCCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001588358720 1282470993 /nfs/dbraw/zinc/47/09/93/1282470993.db2.gz ABRVQWAVMXZJNP-UONOGXRCSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCOCCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588358941 1282472315 /nfs/dbraw/zinc/47/23/15/1282472315.db2.gz DKRTXGZZIGIPGY-KBPBESRZSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCOCCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588358941 1282472320 /nfs/dbraw/zinc/47/23/20/1282472320.db2.gz DKRTXGZZIGIPGY-KBPBESRZSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCOCCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588358944 1282472745 /nfs/dbraw/zinc/47/27/45/1282472745.db2.gz DKRTXGZZIGIPGY-ZIAGYGMSSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCOCCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588358944 1282472746 /nfs/dbraw/zinc/47/27/46/1282472746.db2.gz DKRTXGZZIGIPGY-ZIAGYGMSSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCOCCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)[C@H]1C ZINC001588358951 1282473053 /nfs/dbraw/zinc/47/30/53/1282473053.db2.gz DPLQWNUVKRBHKV-PBHICJAKSA-N 0 3 368.441 0.986 20 30 FCEDHN C#CCOCCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)[C@H]1C ZINC001588358951 1282473061 /nfs/dbraw/zinc/47/30/61/1282473061.db2.gz DPLQWNUVKRBHKV-PBHICJAKSA-N 0 3 368.441 0.986 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588500241 1282531459 /nfs/dbraw/zinc/53/14/59/1282531459.db2.gz TXNPKNKYKSDEKV-CRAIPNDOSA-N 0 3 374.445 0.103 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588500241 1282531471 /nfs/dbraw/zinc/53/14/71/1282531471.db2.gz TXNPKNKYKSDEKV-CRAIPNDOSA-N 0 3 374.445 0.103 20 30 FCEDHN C=C[C@](C)(O)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001588507105 1282547407 /nfs/dbraw/zinc/54/74/07/1282547407.db2.gz BLBUQFIMYITGPV-IYOUNJFTSA-N 0 3 356.430 0.931 20 30 FCEDHN C=C[C@](C)(O)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001588507105 1282547414 /nfs/dbraw/zinc/54/74/14/1282547414.db2.gz BLBUQFIMYITGPV-IYOUNJFTSA-N 0 3 356.430 0.931 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001588505759 1282547568 /nfs/dbraw/zinc/54/75/68/1282547568.db2.gz WWWMHFVWRYIKPU-KPZWWZAWSA-N 0 3 374.445 0.797 20 30 FCEDHN C=C[C@@](C)(O)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001588505759 1282547574 /nfs/dbraw/zinc/54/75/74/1282547574.db2.gz WWWMHFVWRYIKPU-KPZWWZAWSA-N 0 3 374.445 0.797 20 30 FCEDHN C=CCC[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588577709 1282571762 /nfs/dbraw/zinc/57/17/62/1282571762.db2.gz LVRZKJGFQKQSQZ-SJCJKPOMSA-N 0 3 359.434 0.716 20 30 FCEDHN C=CCC[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588577709 1282571770 /nfs/dbraw/zinc/57/17/70/1282571770.db2.gz LVRZKJGFQKQSQZ-SJCJKPOMSA-N 0 3 359.434 0.716 20 30 FCEDHN C=CCC[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588577709 1282571779 /nfs/dbraw/zinc/57/17/79/1282571779.db2.gz LVRZKJGFQKQSQZ-SJCJKPOMSA-N 0 3 359.434 0.716 20 30 FCEDHN C=CCC[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588577709 1282571786 /nfs/dbraw/zinc/57/17/86/1282571786.db2.gz LVRZKJGFQKQSQZ-SJCJKPOMSA-N 0 3 359.434 0.716 20 30 FCEDHN C=CCC[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001588577507 1282573280 /nfs/dbraw/zinc/57/32/80/1282573280.db2.gz JAHBEDVGOMMMME-OLZOCXBDSA-N 0 3 361.450 0.914 20 30 FCEDHN C=CCC[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001588577507 1282573289 /nfs/dbraw/zinc/57/32/89/1282573289.db2.gz JAHBEDVGOMMMME-OLZOCXBDSA-N 0 3 361.450 0.914 20 30 FCEDHN C=CCC[C@@H](C)[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001588577507 1282573299 /nfs/dbraw/zinc/57/32/99/1282573299.db2.gz JAHBEDVGOMMMME-OLZOCXBDSA-N 0 3 361.450 0.914 20 30 FCEDHN C=CCC[C@@H](C)[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001588577507 1282573307 /nfs/dbraw/zinc/57/33/07/1282573307.db2.gz JAHBEDVGOMMMME-OLZOCXBDSA-N 0 3 361.450 0.914 20 30 FCEDHN C=CCCC[C@H]([NH3+])C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001588593930 1282579100 /nfs/dbraw/zinc/57/91/00/1282579100.db2.gz JCCRQCPOBKAPGD-AWEZNQCLSA-N 0 3 356.434 0.594 20 30 FCEDHN C=CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588603794 1282580460 /nfs/dbraw/zinc/58/04/60/1282580460.db2.gz WAPSVLRDNSOEJW-CQSZACIVSA-N 0 3 359.434 0.670 20 30 FCEDHN C=CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588603794 1282580472 /nfs/dbraw/zinc/58/04/72/1282580472.db2.gz WAPSVLRDNSOEJW-CQSZACIVSA-N 0 3 359.434 0.670 20 30 FCEDHN C=CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588603794 1282580482 /nfs/dbraw/zinc/58/04/82/1282580482.db2.gz WAPSVLRDNSOEJW-CQSZACIVSA-N 0 3 359.434 0.670 20 30 FCEDHN C=CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588603794 1282580494 /nfs/dbraw/zinc/58/04/94/1282580494.db2.gz WAPSVLRDNSOEJW-CQSZACIVSA-N 0 3 359.434 0.670 20 30 FCEDHN C=CC[NH2+]CCCOC1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001588663253 1282616846 /nfs/dbraw/zinc/61/68/46/1282616846.db2.gz HQJNSQPHOBTJRG-UHFFFAOYSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CC[NH2+]CCCOC1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001588663253 1282616857 /nfs/dbraw/zinc/61/68/57/1282616857.db2.gz HQJNSQPHOBTJRG-UHFFFAOYSA-N 0 3 359.434 0.982 20 30 FCEDHN C=CCOCC[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001588683299 1282643214 /nfs/dbraw/zinc/64/32/14/1282643214.db2.gz QCNSBRKJTMSTFW-TZMCWYRMSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001588683299 1282643224 /nfs/dbraw/zinc/64/32/24/1282643224.db2.gz QCNSBRKJTMSTFW-TZMCWYRMSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[NH2+]C[C@]1(C)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001588682938 1282645288 /nfs/dbraw/zinc/64/52/88/1282645288.db2.gz LTCOIKRQECXSLW-KRWDZBQOSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[NH2+]C[C@]1(C)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001588682938 1282645296 /nfs/dbraw/zinc/64/52/96/1282645296.db2.gz LTCOIKRQECXSLW-KRWDZBQOSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[N@H+]1C[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2C1 ZINC001588682773 1282646553 /nfs/dbraw/zinc/64/65/53/1282646553.db2.gz JFIGYWQXQMHSAG-BETUJISGSA-N 0 3 357.418 0.401 20 30 FCEDHN C=CCOCC[N@@H+]1C[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2C1 ZINC001588682773 1282646565 /nfs/dbraw/zinc/64/65/65/1282646565.db2.gz JFIGYWQXQMHSAG-BETUJISGSA-N 0 3 357.418 0.401 20 30 FCEDHN C=CCOCC[N@H+]1C[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2C1 ZINC001588682773 1282646577 /nfs/dbraw/zinc/64/65/77/1282646577.db2.gz JFIGYWQXQMHSAG-BETUJISGSA-N 0 3 357.418 0.401 20 30 FCEDHN C=CCOCC[N@@H+]1C[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2C1 ZINC001588682773 1282646588 /nfs/dbraw/zinc/64/65/88/1282646588.db2.gz JFIGYWQXQMHSAG-BETUJISGSA-N 0 3 357.418 0.401 20 30 FCEDHN C=CCOCC[N@H+]1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1CC ZINC001588682767 1282646911 /nfs/dbraw/zinc/64/69/11/1282646911.db2.gz IQQNHIXNSCWOJG-DZGCQCFKSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[N@@H+]1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1CC ZINC001588682767 1282646924 /nfs/dbraw/zinc/64/69/24/1282646924.db2.gz IQQNHIXNSCWOJG-DZGCQCFKSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCn1cc(C(=O)NCC[N@@H+](C)Cc2ccccc2-c2nnn[n-]2)nn1 ZINC001588713725 1282660752 /nfs/dbraw/zinc/66/07/52/1282660752.db2.gz QYYPSNKLTDOSGS-UHFFFAOYSA-N 0 3 367.417 0.506 20 30 FCEDHN C=CCn1cc(C(=O)NCC[N@H+](C)Cc2ccccc2-c2nnn[n-]2)nn1 ZINC001588713725 1282660766 /nfs/dbraw/zinc/66/07/66/1282660766.db2.gz QYYPSNKLTDOSGS-UHFFFAOYSA-N 0 3 367.417 0.506 20 30 FCEDHN C[C@@H](C#N)C(=O)N(CCO)CC[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588926503 1282728412 /nfs/dbraw/zinc/72/84/12/1282728412.db2.gz BDKNACJXGDOEON-NSHDSACASA-N 0 3 361.381 0.076 20 30 FCEDHN CC(C)C#CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001589380016 1282853474 /nfs/dbraw/zinc/85/34/74/1282853474.db2.gz JJASVYOBSQAQHY-AWEZNQCLSA-N 0 3 374.420 0.574 20 30 FCEDHN CC(C)C#CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001589380016 1282853484 /nfs/dbraw/zinc/85/34/84/1282853484.db2.gz JJASVYOBSQAQHY-AWEZNQCLSA-N 0 3 374.420 0.574 20 30 FCEDHN CCCC[C@H](C[NH2+]CC#CCOC)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001590578078 1283617355 /nfs/dbraw/zinc/61/73/55/1283617355.db2.gz MVUMFILEIRECCU-CQSZACIVSA-N 0 3 359.434 0.723 20 30 FCEDHN COC(=O)[C@H]1CCCN(C(=O)C(C#N)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001591282704 1284439442 /nfs/dbraw/zinc/43/94/42/1284439442.db2.gz JIYQIKUAUPLVIA-GJZGRUSLSA-N 0 3 368.397 0.961 20 30 FCEDHN COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001591361811 1284498055 /nfs/dbraw/zinc/49/80/55/1284498055.db2.gz OIFZGXADFIANFS-CHWSQXEVSA-N 0 3 357.418 0.142 20 30 FCEDHN COCCOc1ccc(-c2nn[nH]n2)cc1NC(=O)NCC#CCN(C)C ZINC001591443138 1284598862 /nfs/dbraw/zinc/59/88/62/1284598862.db2.gz MWZFUXRCYYMVGR-UHFFFAOYSA-N 0 3 373.417 0.578 20 30 FCEDHN N#CC1(C[C@H](O)C[NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC001592668995 1285564704 /nfs/dbraw/zinc/56/47/04/1285564704.db2.gz SGLFWMNTTMKZAK-HNNXBMFYSA-N 0 3 372.429 0.906 20 30 FCEDHN O=C(C#CC1CC1)N(CCO)CC[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001592764876 1285687282 /nfs/dbraw/zinc/68/72/82/1285687282.db2.gz VQRHDSHYUPVVHN-UHFFFAOYSA-N 0 3 354.414 0.191 20 30 FCEDHN O=C(C#CC1CC1)N(CCO)CC[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001592764876 1285687286 /nfs/dbraw/zinc/68/72/86/1285687286.db2.gz VQRHDSHYUPVVHN-UHFFFAOYSA-N 0 3 354.414 0.191 20 30 FCEDHN C#CCC1([NH2+]C[C@@H](O)COc2ccccc2-c2nnn[n-]2)CCOCC1 ZINC001602700077 1287062863 /nfs/dbraw/zinc/06/28/63/1287062863.db2.gz QQUCMICLLSRASS-CQSZACIVSA-N 0 3 357.414 0.769 20 30 FCEDHN C#CCC1([NH2+]C[C@@H](O)COc2ccccc2-c2nn[n-]n2)CCOCC1 ZINC001602700077 1287062870 /nfs/dbraw/zinc/06/28/70/1287062870.db2.gz QQUCMICLLSRASS-CQSZACIVSA-N 0 3 357.414 0.769 20 30 FCEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)NCCC[NH2+]CC ZINC001602853523 1287138882 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N#Cc1ccc(F)c(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000822829767 599457721 /nfs/dbraw/zinc/45/77/21/599457721.db2.gz HZMCDQBBSZVFNA-NSHDSACASA-N 0 3 353.365 0.905 20 30 FCEDHN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1C#N ZINC000826077443 608022064 /nfs/dbraw/zinc/02/20/64/608022064.db2.gz IHPMEBCKPTVVMG-UHFFFAOYSA-N 0 3 365.401 0.795 20 30 FCEDHN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC000826077443 608022065 /nfs/dbraw/zinc/02/20/65/608022065.db2.gz IHPMEBCKPTVVMG-UHFFFAOYSA-N 0 3 365.401 0.795 20 30 FCEDHN C#CCC[NH+]1CCC(NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823844671 609235097 /nfs/dbraw/zinc/23/50/97/609235097.db2.gz FZYZKXRPLUXDBU-MRXNPFEDSA-N 0 3 354.414 0.504 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](N(C)CCN2CCNC2=O)C1 ZINC000971559025 663397744 /nfs/dbraw/zinc/39/77/44/663397744.db2.gz QDBRKRISDAZJMU-XHSDSOJGSA-N 0 3 350.463 0.526 20 30 FCEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001022470487 663454977 /nfs/dbraw/zinc/45/49/77/663454977.db2.gz UGFYECSAEPTNER-QXSJWSMHSA-N 0 3 357.882 0.856 20 30 FCEDHN CCOCCCNC(=O)C(C#N)C(=O)Cc1c(Br)cnn1C ZINC000892459088 663928626 /nfs/dbraw/zinc/92/86/26/663928626.db2.gz RWIJNTCDNOCZBG-JTQLQIEISA-N 0 3 371.235 0.977 20 30 FCEDHN COCCCNC(=O)C(C#N)C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000726729616 664924000 /nfs/dbraw/zinc/92/40/00/664924000.db2.gz JUIVDSDDTDRLKV-GFCCVEGCSA-N 0 3 351.363 0.660 20 30 FCEDHN CCS(=O)(=O)N1CCC[C@@H](C(=O)C(C#N)C(=O)NC2CCCC2)C1 ZINC000729070152 665230579 /nfs/dbraw/zinc/23/05/79/665230579.db2.gz MCCSKXPCMHLJQQ-OCCSQVGLSA-N 0 3 355.460 0.816 20 30 FCEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 ZINC000729068044 665230611 /nfs/dbraw/zinc/23/06/11/665230611.db2.gz NFLHPFICZJSTSE-ZIAGYGMSSA-N 0 3 373.475 0.300 20 30 FCEDHN CCS(=O)(=O)N1CCC[C@@H](C(=O)C(C#N)C(=O)Nc2ccccn2)C1 ZINC000729069659 665230725 /nfs/dbraw/zinc/23/07/25/665230725.db2.gz VDXQAXWNJGKTHL-CHWSQXEVSA-N 0 3 364.427 0.791 20 30 FCEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)CCCS(C)(=O)=O)cc1 ZINC000731287535 666814032 /nfs/dbraw/zinc/81/40/32/666814032.db2.gz FOQBIDHCGPGBSW-HNNXBMFYSA-N 0 3 366.439 0.888 20 30 FCEDHN Cc1ccc(OCC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)c(C)c1 ZINC000732908632 666909952 /nfs/dbraw/zinc/90/99/52/666909952.db2.gz PGHQLVMFGXMNPR-AWEZNQCLSA-N 0 3 364.423 0.648 20 30 FCEDHN N#CC(C(=O)COCCc1ccccc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000732909132 666910845 /nfs/dbraw/zinc/91/08/45/666910845.db2.gz ZEWLSBSZFAQJGM-HNNXBMFYSA-N 0 3 364.423 0.212 20 30 FCEDHN COCCNC(=O)C(C#N)C(=O)Cc1csc(NC(=O)C(C)C)n1 ZINC000916891430 667036012 /nfs/dbraw/zinc/03/60/12/667036012.db2.gz UBCSRKHOMSBIIR-NSHDSACASA-N 0 3 352.416 0.752 20 30 FCEDHN COCCNC(=O)C(C#N)C(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21 ZINC000916892160 667036437 /nfs/dbraw/zinc/03/64/37/667036437.db2.gz INIKPTGRKFHRMK-MHDGFBEUSA-N 0 3 368.459 0.184 20 30 FCEDHN C=CCNC(=O)C(C#N)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000916917465 667036976 /nfs/dbraw/zinc/03/69/76/667036976.db2.gz KWBDAJNDAJUXBO-XWUBHJNHSA-N 0 3 350.444 0.723 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N(CCS(C)(=O)=O)C(C)C)CC1 ZINC000804891536 668051482 /nfs/dbraw/zinc/05/14/82/668051482.db2.gz DIZGIPNHMVCVLQ-UHFFFAOYSA-N 0 3 359.492 0.035 20 30 FCEDHN C=C(Br)CNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000788246939 668821229 /nfs/dbraw/zinc/82/12/29/668821229.db2.gz TUQBUQCNHWKJRG-GFCCVEGCSA-N 0 3 350.282 0.565 20 30 FCEDHN C#CCN(C)CCCNC(=O)CN(C)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000818592919 668917977 /nfs/dbraw/zinc/91/79/77/668917977.db2.gz FRNMOCSXKNUAFT-UHFFFAOYSA-N 0 3 365.499 0.995 20 30 FCEDHN C#CCN(C)CCCNC(=O)[C@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000818606290 668920822 /nfs/dbraw/zinc/92/08/22/668920822.db2.gz JPWWSNWHKYAPFQ-ZDUSSCGKSA-N 0 3 350.423 0.899 20 30 FCEDHN C[C@H](CC(=O)N1CCC(C[NH3+])CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000832316541 669899422 /nfs/dbraw/zinc/89/94/22/669899422.db2.gz QRFVRJBZMYQBKL-GFCCVEGCSA-N 0 3 364.471 0.701 20 30 FCEDHN CC[NH2+]CCCNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000832382888 669901849 /nfs/dbraw/zinc/90/18/49/669901849.db2.gz CYNXVFLZKAGGCW-LBPRGKRZSA-N 0 3 352.460 0.620 20 30 FCEDHN C[C@@H](CC(=O)NC1CCC([NH3+])CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000832498102 669906598 /nfs/dbraw/zinc/90/65/98/669906598.db2.gz TZABRARYHSLYDL-HIFPTAJRSA-N 0 3 364.471 0.890 20 30 FCEDHN C[C@H](CC(=O)N[C@@H]1CCC[NH2+]CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000834582713 669965921 /nfs/dbraw/zinc/96/59/21/669965921.db2.gz ZRHDVGVDRFQDNP-CHWSQXEVSA-N 0 3 364.471 0.762 20 30 FCEDHN CC[C@@H]1CN(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)CC[C@@H]1[NH3+] ZINC000834642530 669968531 /nfs/dbraw/zinc/96/85/31/669968531.db2.gz SBAWSYAJCZARKO-YPMHNXCESA-N 0 3 350.444 0.311 20 30 FCEDHN C[C@H](CC(=O)N[C@@H](C)CCC[NH3+])/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000834813411 669977265 /nfs/dbraw/zinc/97/72/65/669977265.db2.gz MVCKYABLYHFKLJ-NWDGAFQWSA-N 0 3 352.460 0.747 20 30 FCEDHN C[C@H](CC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000834861810 669980314 /nfs/dbraw/zinc/98/03/14/669980314.db2.gz NBKQXLSIDVJRJV-JHJVBQTASA-N 0 3 364.471 0.747 20 30 FCEDHN C#CCN(C)CCCNC(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000836247644 670040530 /nfs/dbraw/zinc/04/05/30/670040530.db2.gz AWLKCVIPJHLWJW-QGZVFWFLSA-N 0 3 354.520 0.449 20 30 FCEDHN C#CCN(C)CCCNC(=O)NCc1cccc(CS(C)(=O)=O)c1 ZINC000836265226 670041287 /nfs/dbraw/zinc/04/12/87/670041287.db2.gz MIPKECSYEVGLSV-UHFFFAOYSA-N 0 3 351.472 0.986 20 30 FCEDHN C#CCN(C)CCCNC(=O)NCCNS(=O)(=O)Cc1ccccc1 ZINC000836489144 670051435 /nfs/dbraw/zinc/05/14/35/670051435.db2.gz WOLXWWIHQMZZGA-UHFFFAOYSA-N 0 3 366.487 0.360 20 30 FCEDHN C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CNCCO2)ccc1F ZINC000818011413 670056131 /nfs/dbraw/zinc/05/61/31/670056131.db2.gz FIEHNMWMNCYDKJ-GFCCVEGCSA-N 0 3 357.407 0.008 20 30 FCEDHN C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)ccc1F ZINC000843358002 670806296 /nfs/dbraw/zinc/80/62/96/670806296.db2.gz ZQOKABRPCQHCQS-FZMZJTMJSA-N 0 3 371.434 0.478 20 30 FCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1sc(C)cc1C(=O)OC ZINC000845978979 671060465 /nfs/dbraw/zinc/06/04/65/671060465.db2.gz ACYKNYOEBSEVNQ-UHFFFAOYSA-N 0 3 351.428 0.853 20 30 FCEDHN C#CCN(C)CCCNC(=O)N1CCC[C@H](C2N=NC(=S)N2C)C1 ZINC000854094640 671565798 /nfs/dbraw/zinc/56/57/98/671565798.db2.gz YVZTUHPTRBSDOU-ZDUSSCGKSA-N 0 3 350.492 0.948 20 30 FCEDHN N#Cc1cc(S(=O)(=O)NC[C@H]2CNCCO2)ccc1Br ZINC000903504359 675935045 /nfs/dbraw/zinc/93/50/45/675935045.db2.gz SLTVGKFAPACBCN-SNVBAGLBSA-N 0 3 360.233 0.587 20 30 FCEDHN C#CCN(C)CCCNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000859171219 671797837 /nfs/dbraw/zinc/79/78/37/671797837.db2.gz CDSQBNFWUSZZGY-UHFFFAOYSA-N 0 3 361.467 0.755 20 30 FCEDHN N#CC(C(=O)NCc1ccc(F)c(F)c1)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000860692658 671908388 /nfs/dbraw/zinc/90/83/88/671908388.db2.gz QZNYKZDUIJKDCP-BIMULSAOSA-N 0 3 351.309 0.323 20 30 FCEDHN CN1CCN(C2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)CC1 ZINC000866214506 672266051 /nfs/dbraw/zinc/26/60/51/672266051.db2.gz PHKILWIDFUCTNR-UHFFFAOYSA-N 0 3 363.487 0.422 20 30 FCEDHN C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000877169774 673000726 /nfs/dbraw/zinc/00/07/26/673000726.db2.gz FWXUYNAULJQIOV-RWMBFGLXSA-N 0 3 362.455 0.467 20 30 FCEDHN CN(C)CCN1CCN(c2ncc(C#N)cc2Br)CC1=O ZINC000882522734 673319872 /nfs/dbraw/zinc/31/98/72/673319872.db2.gz BZJOBDQDGVAOMJ-UHFFFAOYSA-N 0 3 352.236 0.926 20 30 FCEDHN C#CC[C@@H](COC)NC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000883747226 673393873 /nfs/dbraw/zinc/39/38/73/673393873.db2.gz DPRLBTSCCFTHSO-HNNXBMFYSA-N 0 3 350.463 0.540 20 30 FCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@H](CC)N(C)C ZINC001058170106 676140514 /nfs/dbraw/zinc/14/05/14/676140514.db2.gz YJLLYFXWTIWELD-JYJNAYRXSA-N 0 3 355.479 0.245 20 30 FCEDHN CS(=O)(=O)C1(CNC(=O)C2CC3(C2)CNC[C@@H]3C#N)CCCCC1 ZINC000884406810 673451785 /nfs/dbraw/zinc/45/17/85/673451785.db2.gz IIADDYKAWLPLAQ-BBBYJDLNSA-N 0 3 353.488 0.989 20 30 FCEDHN N#C[C@H]1CNCC12CC(C(=O)N[C@H]1CS(=O)(=O)Cc3ccccc31)C2 ZINC000884425749 673452720 /nfs/dbraw/zinc/45/27/20/673452720.db2.gz QPKLRIXLQOKFQN-NOAVELHRSA-N 0 3 359.451 0.912 20 30 FCEDHN C#CCN(C(=O)C1CCN(S(=O)(=O)CC)CC1)C1CCN(C)CC1 ZINC000886587486 673592348 /nfs/dbraw/zinc/59/23/48/673592348.db2.gz YEQOQENDQUNREN-UHFFFAOYSA-N 0 3 355.504 0.604 20 30 FCEDHN C#CCN(C(=O)CN(C)S(=O)(=O)c1ccccc1)C1CCN(C)CC1 ZINC000886583141 673592391 /nfs/dbraw/zinc/59/23/91/673592391.db2.gz CPOUQHNNMMGGBH-UHFFFAOYSA-N 0 3 363.483 0.863 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)c3cn(CC)cn3)[C@@H]2C)CC1 ZINC000988505644 1192234563 /nfs/dbraw/zinc/23/45/63/1192234563.db2.gz BJRSKHHYVAKVRB-WBVHZDCISA-N 0 3 371.485 0.967 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)c3nccnc3N)[C@@H]2C)CC1 ZINC000988506419 1192236916 /nfs/dbraw/zinc/23/69/16/1192236916.db2.gz LNIXBPCWDOXSGR-HIFRSBDPSA-N 0 3 370.457 0.123 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)c3ccnc(C)n3)[C@@H]2C)CC1 ZINC000988506425 1192237666 /nfs/dbraw/zinc/23/76/66/1192237666.db2.gz LOTRJKQWOZOLJK-PBHICJAKSA-N 0 3 369.469 0.849 20 30 FCEDHN C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@@H]1O ZINC000969418793 1167944570 /nfs/dbraw/zinc/94/45/70/1167944570.db2.gz QMGGLJNQMFYRSN-IPELMVKDSA-N 0 3 369.465 0.240 20 30 FCEDHN CC(=O)N[C@@](C)(C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N)C(C)C ZINC001691033784 1169593083 /nfs/dbraw/zinc/59/30/83/1169593083.db2.gz QHXGUTMCXLBXIA-IIDMSEBBSA-N 0 3 365.478 0.194 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CCNCc2nncn2C)C1 ZINC001104306034 1169873406 /nfs/dbraw/zinc/87/34/06/1169873406.db2.gz HFIXRWQNEIQARK-ZACQAIPSSA-N 0 3 358.490 0.487 20 30 FCEDHN C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001104335316 1170048961 /nfs/dbraw/zinc/04/89/61/1170048961.db2.gz JPRMNWQTFRZFAY-HZSPNIEDSA-N 0 3 359.430 0.008 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1C ZINC000988734991 1192422660 /nfs/dbraw/zinc/42/26/60/1192422660.db2.gz SBZRVEARZOAABL-NJAFHUGGSA-N 0 3 360.502 0.674 20 30 FCEDHN C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)CN(C)C(=O)COC)C1 ZINC001691197416 1170857796 /nfs/dbraw/zinc/85/77/96/1170857796.db2.gz FEYCIFUZGGFNLY-ZWKOTPCHSA-N 0 3 357.454 0.699 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1c1cnn(C)c1 ZINC001691278601 1171022161 /nfs/dbraw/zinc/02/21/61/1171022161.db2.gz JWBCBDFUTUPYGC-DUVNUKRYSA-N 0 3 371.445 0.032 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)CCc2cnccn2)C[C@H]1c1cnn(C)c1 ZINC001691283463 1171030762 /nfs/dbraw/zinc/03/07/62/1171030762.db2.gz BHABCPITUAECOU-ZWKOTPCHSA-N 0 3 352.442 0.750 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@H]2CCc3nncn3C2)C[C@H]1c1cnn(C)c1 ZINC001691286488 1171040639 /nfs/dbraw/zinc/04/06/39/1171040639.db2.gz WVVOLCCWNOTGQR-BHYGNILZSA-N 0 3 367.457 0.182 20 30 FCEDHN C[C@H]1CCN(CC(=O)N2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)[C@@H]3C2)C1 ZINC000971875152 1171173181 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GZGLISVCARXXNC-ILXRZTDVSA-N 0 3 361.446 0.497 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ncoc2C)[n-]1 ZINC001130190908 1201530374 /nfs/dbraw/zinc/53/03/74/1201530374.db2.gz TZNZPTHXTLWLHW-STQMWFEESA-N 0 3 358.402 0.517 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cc[nH]c2CC)[n-]1 ZINC001130207709 1201541672 /nfs/dbraw/zinc/54/16/72/1201541672.db2.gz MYFHGTAACROFTN-ZFWWWQNUSA-N 0 3 356.430 0.721 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)c2ccnn2C)[n-]1 ZINC001130212998 1201544667 /nfs/dbraw/zinc/54/46/67/1201544667.db2.gz OFURJKZXWGVGDB-IPYPFGDCSA-N 0 3 371.445 0.053 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCCCO2)[n-]1 ZINC001130200688 1201548417 /nfs/dbraw/zinc/54/84/17/1201548417.db2.gz RXYHSPXPKWCPRK-KKUMJFAQSA-N 0 3 361.446 0.475 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2c[nH]nc2CC)[n-]1 ZINC001130220881 1201551451 /nfs/dbraw/zinc/55/14/51/1201551451.db2.gz PQEZMSADALJHAB-WFASDCNBSA-N 0 3 371.445 0.506 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2C2CCC2)[n-]1 ZINC001130242056 1201561177 /nfs/dbraw/zinc/56/11/77/1201561177.db2.gz CGQVBYYMXPAKIL-JONQDZQNSA-N 0 3 357.458 0.952 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2ccco2)[n-]1 ZINC001130246739 1201566497 /nfs/dbraw/zinc/56/64/97/1201566497.db2.gz OIJXTYRXXFRBGN-GJZGRUSLSA-N 0 3 357.414 0.742 20 30 FCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCOC(C)C)[n-]1 ZINC001130253511 1201569747 /nfs/dbraw/zinc/56/97/47/1201569747.db2.gz ACERVKFFALOPFP-GJZGRUSLSA-N 0 3 363.462 0.721 20 30 FCEDHN C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCCC(=O)NC)CC1 ZINC001130285762 1201576767 /nfs/dbraw/zinc/57/67/67/1201576767.db2.gz OVGQJPDHEGIDAY-BEFAXECRSA-N 0 3 364.490 0.564 20 30 FCEDHN C=CCCCCCN1C[C@@H](NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](O)C1 ZINC001220040736 1224734808 /nfs/dbraw/zinc/73/48/08/1224734808.db2.gz DAIIYBUWZLMAQC-NCOADZHNSA-N 0 3 367.490 0.707 20 30 FCEDHN 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C#CCN[C@@H]1CN(C(=O)C[C@@H](C)c2cnn(C)c2)C[C@H]1c1cnn(C)c1 ZINC001086988099 1204881815 /nfs/dbraw/zinc/88/18/15/1204881815.db2.gz CYROCENRPALNLT-FHLIZLRMSA-N 0 3 354.458 0.865 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)Cc2ccccc2C(N)=O)C[C@H]1c1cnn(C)c1 ZINC001086990850 1204883307 /nfs/dbraw/zinc/88/33/07/1204883307.db2.gz XVJXNHICXFRTIX-ZWKOTPCHSA-N 0 3 365.437 0.279 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CN(C(C)C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001086993910 1204885001 /nfs/dbraw/zinc/88/50/01/1204885001.db2.gz ZDTMRHMJTLSJCP-KSZLIROESA-N 0 3 359.474 0.047 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@]2(C)CCN(C(C)=O)C2)C[C@H]1c1cnn(C)c1 ZINC001087004937 1204892493 /nfs/dbraw/zinc/89/24/93/1204892493.db2.gz DNGRKIOIBWIRIZ-YQVWRLOYSA-N 0 3 357.458 0.196 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@H](C)Oc2cccnc2)C[C@H]1c1cnn(C)c1 ZINC001086995775 1204893919 /nfs/dbraw/zinc/89/39/19/1204893919.db2.gz WPCYLSCNBALGAX-JCGIZDLHSA-N 0 3 353.426 0.800 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)CN2CCCCCC2=O)C[C@H]1c1cnn(C)c1 ZINC001087008363 1204896442 /nfs/dbraw/zinc/89/64/42/1204896442.db2.gz AJZCGZQCUCAINW-DLBZAZTESA-N 0 3 357.458 0.340 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)CCC)C[C@H]1c1cnn(C)c1 ZINC001087010871 1204898220 /nfs/dbraw/zinc/89/82/20/1204898220.db2.gz VUEAAUSESVSGDK-KSZLIROESA-N 0 3 371.485 0.728 20 30 FCEDHN CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CNCc1ccn(C)n1 ZINC001087040200 1204918865 /nfs/dbraw/zinc/91/88/65/1204918865.db2.gz WUBCRLRBIPQYCI-RHSMWYFYSA-N 0 3 356.430 0.887 20 30 FCEDHN C=CCCCCCN1C[C@@H](NC(=O)CNC(=O)c2cccnc2)[C@@H](O)C1 ZINC001220399357 1224860370 /nfs/dbraw/zinc/86/03/70/1224860370.db2.gz NLIWXLXWPAABFJ-SJORKVTESA-N 0 3 360.458 0.719 20 30 FCEDHN CCO[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1CNCc1ccccc1C#N ZINC001087099852 1204995587 /nfs/dbraw/zinc/99/55/87/1204995587.db2.gz QQUUAHMVZQQBFI-QZTJIDSGSA-N 0 3 368.441 0.803 20 30 FCEDHN CN1C[C@@H](C(=O)N2C[C@H]3CN(Cc4ccc(C#N)cc4)C[C@@]3(C)C2)NC1=O ZINC001091916546 1205072059 /nfs/dbraw/zinc/07/20/59/1205072059.db2.gz ICVNTYDQXDNYSK-UWVAXJGDSA-N 0 3 367.453 0.862 20 30 FCEDHN C[C@@]12CN(Cc3cccc(C#N)c3)C[C@@H]1CN(C(=O)[C@H]1CNC(=O)N1)C2 ZINC001091966151 1205078987 /nfs/dbraw/zinc/07/89/87/1205078987.db2.gz AJYOZQLYDYACFQ-MDZRGWNJSA-N 0 3 353.426 0.520 20 30 FCEDHN CC[C@@H](C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1n1ccnn1)N(C)C ZINC001092100161 1205155455 /nfs/dbraw/zinc/15/54/55/1205155455.db2.gz AKYRDTGLDPGLAW-IKGGRYGDSA-N 0 3 368.445 0.431 20 30 FCEDHN CC[C@@H](C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1n1ccnn1)N(C)C ZINC001092100608 1205156781 /nfs/dbraw/zinc/15/67/81/1205156781.db2.gz RPBWZECEGPDZSN-PMPSAXMXSA-N 0 3 368.445 0.431 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@H]3CN(CCN4CCNC4=O)C[C@@]3(C)C2)nc1 ZINC001092211817 1205214807 /nfs/dbraw/zinc/21/48/07/1205214807.db2.gz OYXSMNFQVDUXNS-UZLBHIALSA-N 0 3 367.453 0.482 20 30 FCEDHN C=CCN1CC[C@@H](N2C[C@@H](CNC(=O)c3cc[n+]([O-])cc3)[C@H](C)C2)C1=O ZINC001092447106 1205283227 /nfs/dbraw/zinc/28/32/27/1205283227.db2.gz IDLKNZWMDGPMRZ-DJIMGWMZSA-N 0 3 358.442 0.405 20 30 FCEDHN C=CCN1CC[C@H](N2C[C@@H](CNC(=O)c3cc(=O)n(C)o3)[C@H](C)C2)C1=O ZINC001092573410 1205321359 /nfs/dbraw/zinc/32/13/59/1205321359.db2.gz RMAXOOBDWWXSTF-MCIONIFRSA-N 0 3 362.430 0.063 20 30 FCEDHN C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNCc1cn(C[C@@H]2CCOC2)nn1 ZINC001093762222 1206111047 /nfs/dbraw/zinc/11/10/47/1206111047.db2.gz YJDBGMLAKRDFAN-BPQIPLTHSA-N 0 3 371.485 0.912 20 30 FCEDHN Nc1cn(C(=O)C#Cc2cccnc2)ccc1=NCCN1CCOCC1 ZINC001177773494 1206345731 /nfs/dbraw/zinc/34/57/31/1206345731.db2.gz XRRVMJDECSRMTL-UHFFFAOYSA-N 0 3 351.410 0.390 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@H]1CCN(C(=O)[C@H]2OCCO[C@H]2C)[C@H]1C ZINC001178921378 1206367806 /nfs/dbraw/zinc/36/78/06/1206367806.db2.gz NCYAMDSOYHDETP-JKQORVJESA-N 0 3 366.462 0.131 20 30 FCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](NCC(=O)NC(=O)NC2CC2)C1 ZINC001182670868 1206441026 /nfs/dbraw/zinc/44/10/26/1206441026.db2.gz VEVZDFNDBIPCFW-KFWWJZLASA-N 0 3 364.446 0.146 20 30 FCEDHN CN1CCC(CO)(NC(=O)[C@H]2CN(c3cccc(C#N)c3)C(=O)O2)CC1 ZINC001184381980 1206469666 /nfs/dbraw/zinc/46/96/66/1206469666.db2.gz RXIKIVPXIVLGNX-OAHLLOKOSA-N 0 3 358.398 0.456 20 30 FCEDHN CN(C)CCN1C[C@]2(CCN(C(=O)C#CC3CCCCC3)C2)OCC1=O ZINC001273493132 1206473860 /nfs/dbraw/zinc/47/38/60/1206473860.db2.gz GJJLODAASBZJMU-HXUWFJFHSA-N 0 3 361.486 0.962 20 30 FCEDHN CC(=O)NCC(=O)N1CC[C@H]2CN(Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001186685048 1206501025 /nfs/dbraw/zinc/50/10/25/1206501025.db2.gz DFYJPNNFOVMXER-FUHWJXTLSA-N 0 3 356.426 0.758 20 30 FCEDHN COC(=O)[C@@H](N)CCC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC001220643512 1224982949 /nfs/dbraw/zinc/98/29/49/1224982949.db2.gz IJJWPKABUJYQPA-INIZCTEOSA-N 0 3 358.442 0.941 20 30 FCEDHN C#CCN1CCN(C(=O)CN[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000775259332 1207563708 /nfs/dbraw/zinc/56/37/08/1207563708.db2.gz HSWAJAJVCYCMJZ-GOSISDBHSA-N 0 3 370.497 0.951 20 30 FCEDHN C=CCN(CC=C)C(=O)CN1C[C@@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C1 ZINC001190176946 1207658211 /nfs/dbraw/zinc/65/82/11/1207658211.db2.gz KQBNTMKPMSIYSO-ZWKOTPCHSA-N 0 3 360.502 0.816 20 30 FCEDHN C#CC1(O)CN(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)C1 ZINC001220685770 1225012732 /nfs/dbraw/zinc/01/27/32/1225012732.db2.gz FIXMNGAPMPKANM-SFHVURJKSA-N 0 3 356.470 0.755 20 30 FCEDHN C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(CCOC)C2)C1 ZINC001193415850 1207873946 /nfs/dbraw/zinc/87/39/46/1207873946.db2.gz OKEUIQWFCOZGSH-GVDBMIGSSA-N 0 3 367.490 0.389 20 30 FCEDHN C#CCC1(C(=O)N[C@@H]2CN(CCC[C@@H]3CCOC3)C[C@H]2O)CCOCC1 ZINC001193729275 1207886181 /nfs/dbraw/zinc/88/61/81/1207886181.db2.gz WSOUPUMXTUEKON-KZNAEPCWSA-N 0 3 364.486 0.785 20 30 FCEDHN C=CCC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001194988656 1207987261 /nfs/dbraw/zinc/98/72/61/1207987261.db2.gz PCXRTAUNMLZCAQ-JGGQBBKZSA-N 0 3 359.430 0.461 20 30 FCEDHN C=CCC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cncn3)nc2)C1 ZINC001195149531 1208004633 /nfs/dbraw/zinc/00/46/33/1208004633.db2.gz RIDXQVXAJVYZRB-FVQBIDKESA-N 0 3 356.430 0.792 20 30 FCEDHN CCCCCCCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CCOCC2)C1 ZINC001197041486 1208130354 /nfs/dbraw/zinc/13/03/54/1208130354.db2.gz IXGAUBMDVCPTAW-IAGOWNOFSA-N 0 3 369.506 0.661 20 30 FCEDHN CCCN(C)CC(=O)N[C@@H]1CN(Cc2ccc(OC)c(C#N)c2)C[C@H]1O ZINC001198021284 1208214682 /nfs/dbraw/zinc/21/46/82/1208214682.db2.gz WFYGZGXJQNLNHZ-IAGOWNOFSA-N 0 3 360.458 0.570 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)COCc2cccnc2)C[C@H]1c1cnn(C)c1 ZINC001691707398 1208439119 /nfs/dbraw/zinc/43/91/19/1208439119.db2.gz REAAXRTVTFAEFV-RBUKOAKNSA-N 0 3 367.453 0.939 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@H](CNCC(=O)NCC(C)C)C1 ZINC001201438104 1208457038 /nfs/dbraw/zinc/45/70/38/1208457038.db2.gz JSTJUFYNGBCQNR-ZACQAIPSSA-N 0 3 367.490 0.557 20 30 FCEDHN C=CCNC(=O)NC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2CC)CCCO1 ZINC001201445861 1208457138 /nfs/dbraw/zinc/45/71/38/1208457138.db2.gz BNROZMBXAFYQJT-RBSFLKMASA-N 0 3 366.462 0.251 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCCO[C@@H](CNCC(=O)N2CCCC2)C1 ZINC001201439511 1208457148 /nfs/dbraw/zinc/45/71/48/1208457148.db2.gz WJYMBQYKNDNBQP-BBWFWOEESA-N 0 3 365.474 0.407 20 30 FCEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@@H](NC(=O)CN(C)CCC)[C@@H](O)C1 ZINC001220822311 1225088193 /nfs/dbraw/zinc/08/81/93/1225088193.db2.gz SLVPXFRWXVKPND-ZACQAIPSSA-N 0 3 368.522 0.303 20 30 FCEDHN CN(CCNC(=O)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1)C1CC1 ZINC000875124986 1210340019 /nfs/dbraw/zinc/34/00/19/1210340019.db2.gz CQQUVEMRPROLCT-UHFFFAOYSA-N 0 3 373.432 0.556 20 30 FCEDHN C#C[C@@H](NC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1)[C@@H]1CCCO1 ZINC000883580834 1210672323 /nfs/dbraw/zinc/67/23/23/1210672323.db2.gz KQEKMJNUNNOPPI-CVEARBPZSA-N 0 3 362.474 0.683 20 30 FCEDHN C#CCN1CCC[C@H](NC(=O)NCc2ccnc(N3CCN(C)CC3)c2)C1 ZINC000884060029 1210712672 /nfs/dbraw/zinc/71/26/72/1210712672.db2.gz MAWKSTHHMJYNTQ-SFHVURJKSA-N 0 3 370.501 0.730 20 30 FCEDHN N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCN(C(=O)c3ccccc3[O-])CC1)C2 ZINC000884091676 1210714458 /nfs/dbraw/zinc/71/44/58/1210714458.db2.gz GDWFKVAOWQAUEP-RDYUPDBUSA-N 0 3 368.437 0.816 20 30 FCEDHN N#C[C@H]1CNCC12CC(C(=O)NC[C@H]1CN(Cc3ccncc3)CCO1)C2 ZINC000884442553 1210735381 /nfs/dbraw/zinc/73/53/81/1210735381.db2.gz IXGFQWPPFRPYFU-NRGCRIOASA-N 0 3 369.469 0.538 20 30 FCEDHN C#CCN(C(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1)C1CCN(C)CC1 ZINC000886579805 1210832653 /nfs/dbraw/zinc/83/26/53/1210832653.db2.gz IRRZJPSTWIVLMU-FQEVSTJZSA-N 0 3 368.437 0.911 20 30 FCEDHN C#CCN(C(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1)C1CCN(C)CC1 ZINC000886579806 1210832743 /nfs/dbraw/zinc/83/27/43/1210832743.db2.gz IRRZJPSTWIVLMU-HXUWFJFHSA-N 0 3 368.437 0.911 20 30 FCEDHN CN(C)CCN1C[C@@]2(F)CN(C(=O)c3ncccc3C#N)C[C@@]2(F)C1=O ZINC001274003907 1210857305 /nfs/dbraw/zinc/85/73/05/1210857305.db2.gz MIBLQNZEVFZPSN-IAGOWNOFSA-N 0 3 363.368 0.229 20 30 FCEDHN C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000777285659 1210986101 /nfs/dbraw/zinc/98/61/01/1210986101.db2.gz DIOUAFDBCKGHNX-UHFFFAOYSA-N 0 3 373.457 0.185 20 30 FCEDHN Cn1cc(CN2CCC3(C2)CCN(C(=O)[C@H]2CC(=O)N2)CC3)cc1C#N ZINC001274714230 1211107758 /nfs/dbraw/zinc/10/77/58/1211107758.db2.gz GEHXQYNGCIXNHU-MRXNPFEDSA-N 0 3 355.442 0.600 20 30 FCEDHN C#CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3c([O-])c(C)ncc3CO)C2)C1=O ZINC001275335971 1211216994 /nfs/dbraw/zinc/21/69/94/1211216994.db2.gz ZZVNRSVDHONXTD-IBGZPJMESA-N 0 3 357.410 0.562 20 30 FCEDHN C#CCN1C(=O)C[C@]2(CCC[N@H+](Cc3c([O-])c(C)ncc3CO)C2)C1=O ZINC001275335971 1211216997 /nfs/dbraw/zinc/21/69/97/1211216997.db2.gz ZZVNRSVDHONXTD-IBGZPJMESA-N 0 3 357.410 0.562 20 30 FCEDHN C#Cc1cc(C(=O)N2CC3(C2)CN(CCN(C)C)C(=O)CO3)ccc1C ZINC001275871860 1211301835 /nfs/dbraw/zinc/30/18/35/1211301835.db2.gz YIOJOTHQSMRUIS-UHFFFAOYSA-N 0 3 355.438 0.591 20 30 FCEDHN CN(C)C(=O)CCN1CC[C@@]2(CCN(Cc3ccc(C#N)nc3)C2)C1=O ZINC001275922737 1211310661 /nfs/dbraw/zinc/31/06/61/1211310661.db2.gz CGWXEVHBXFPVFZ-LJQANCHMSA-N 0 3 355.442 0.856 20 30 FCEDHN CN(C)C[C@@H]1NC(=O)N([C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O ZINC000924744721 1211479513 /nfs/dbraw/zinc/47/95/13/1211479513.db2.gz 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C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)C3=COCCC3)C[C@H]2C)CC1 ZINC000947916678 1212096495 /nfs/dbraw/zinc/09/64/95/1212096495.db2.gz NBDUVRVDACHUKM-CRAIPNDOSA-N 0 3 359.470 0.989 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(-c3nnnn3C)cc2)CC1 ZINC000627366240 1212256322 /nfs/dbraw/zinc/25/63/22/1212256322.db2.gz MDLWLHLWRCTRMM-UHFFFAOYSA-N 0 3 369.429 0.582 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)Cn3ccnc3C)C[C@H]2C)CC1 ZINC000949216112 1212327941 /nfs/dbraw/zinc/32/79/41/1212327941.db2.gz NGTGYCMHSCTTCZ-CRAIPNDOSA-N 0 3 371.485 0.500 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@]34C[C@H]3COC4)C[C@H]2C)CC1 ZINC000949747756 1212451433 /nfs/dbraw/zinc/45/14/33/1212451433.db2.gz PKTCUPMAFAZMOV-ASKNOMKYSA-N 0 3 359.470 0.331 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2CCCN(C(=O)[C@]34C[C@H]3COC4)C2)CC1 ZINC000951043583 1212743356 /nfs/dbraw/zinc/74/33/56/1212743356.db2.gz JNDSEAMTMZKMQX-ZWOKBUDYSA-N 0 3 359.470 0.475 20 30 FCEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)NC(C)(C)C1=O)C2 ZINC001111353108 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N#Cc1c[nH]c(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)Nc2cnccn2)c1 ZINC001225542258 1225815126 /nfs/dbraw/zinc/81/51/26/1225815126.db2.gz IUOCAQGXMANSKT-ZIAGYGMSSA-N 0 3 367.413 0.946 20 30 FCEDHN C#CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC1CCCC1 ZINC001225779101 1225822611 /nfs/dbraw/zinc/82/26/11/1225822611.db2.gz IZYLXNZGAXWGCE-HZPDHXFCSA-N 0 3 362.474 0.202 20 30 FCEDHN C#CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(C)(C)CC ZINC001225779793 1225823321 /nfs/dbraw/zinc/82/33/21/1225823321.db2.gz VSQDORNVFSLQTN-HUUCEWRRSA-N 0 3 364.490 0.448 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)N2CCCC2)CC1 ZINC001096605470 1218575767 /nfs/dbraw/zinc/57/57/67/1218575767.db2.gz QLYPJNWEOSSGJK-QYZOEREBSA-N 0 3 372.513 0.676 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@H](C)c2nnnn2C)CC1 ZINC001096608215 1218576454 /nfs/dbraw/zinc/57/64/54/1218576454.db2.gz RCDUQRWFAPIOKS-SIXLDLHFSA-N 0 3 371.489 0.338 20 30 FCEDHN C#CCOCCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC[C@@H]1CCOC1 ZINC001226171245 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C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1cnn2c1OCCC2 ZINC001227282049 1225869771 /nfs/dbraw/zinc/86/97/71/1225869771.db2.gz RSGBCTHRDFAXDB-HUUCEWRRSA-N 0 3 359.430 0.046 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)C[C@@H](C)N2CCCCC2=O)C[C@@H]1n1ccnn1 ZINC001070193808 1219285802 /nfs/dbraw/zinc/28/58/02/1219285802.db2.gz RMPGJPVTRSBWDK-OAGGEKHMSA-N 0 3 360.462 0.597 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)COc2c(C)nn(C)c2C)C[C@@H]1n1ccnn1 ZINC001070194880 1219287098 /nfs/dbraw/zinc/28/70/98/1219287098.db2.gz RNDYAXMSZXDOHI-CABCVRRESA-N 0 3 359.434 0.235 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2cc(-c3ccn(C)c3)n[nH]2)C[C@@H]1n1ccnn1 ZINC001070206984 1219293498 /nfs/dbraw/zinc/29/34/98/1219293498.db2.gz ZYFPZTYMPRFBDD-SJORKVTESA-N 0 3 366.429 0.848 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CO3)C[C@@H]1n1ccnn1 ZINC001070212697 1219296555 /nfs/dbraw/zinc/29/65/55/1219296555.db2.gz NTTJCZWVFQFVGD-CABCVRRESA-N 0 3 368.397 0.450 20 30 FCEDHN C=CCN[C@@H]1CN(C(=O)[C@@H]2CCn3cc(C)nc3C2)C[C@@H]1n1ccnn1 ZINC001070218491 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1219480138 /nfs/dbraw/zinc/48/01/38/1219480138.db2.gz PVLWXXFLPBXUSR-FAYXSQRVSA-N 0 3 371.441 0.241 20 30 FCEDHN C#CCCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@@H]2CCO[C@H]2CC)n1 ZINC001070588324 1219480156 /nfs/dbraw/zinc/48/01/56/1219480156.db2.gz VVVDINQIRVNQNS-ILXRZTDVSA-N 0 3 361.446 0.633 20 30 FCEDHN C#CCCN1CCOC[C@H]1c1nc(CNC(=O)[C@@H]2CCO[C@H]2CC)n[nH]1 ZINC001070588324 1219480159 /nfs/dbraw/zinc/48/01/59/1219480159.db2.gz VVVDINQIRVNQNS-ILXRZTDVSA-N 0 3 361.446 0.633 20 30 FCEDHN C#CCCN1CCOC[C@H]1c1nnc(CNC(=O)[C@@H]2CCO[C@H]2CC)[nH]1 ZINC001070588324 1219480160 /nfs/dbraw/zinc/48/01/60/1219480160.db2.gz VVVDINQIRVNQNS-ILXRZTDVSA-N 0 3 361.446 0.633 20 30 FCEDHN C=CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@]23CCC[C@H]2OCC3)n1 ZINC001070587750 1219480164 /nfs/dbraw/zinc/48/01/64/1219480164.db2.gz FKCHQBQLXVGEEF-IYOUNJFTSA-N 0 3 361.446 0.939 20 30 FCEDHN C=CCN1CCOC[C@H]1c1nc(CNC(=O)[C@]23CCC[C@H]2OCC3)n[nH]1 ZINC001070587750 1219480166 /nfs/dbraw/zinc/48/01/66/1219480166.db2.gz FKCHQBQLXVGEEF-IYOUNJFTSA-N 0 3 361.446 0.939 20 30 FCEDHN C=CCN1CCOC[C@H]1c1nnc(CNC(=O)[C@]23CCC[C@H]2OCC3)[nH]1 ZINC001070587750 1219480167 /nfs/dbraw/zinc/48/01/67/1219480167.db2.gz FKCHQBQLXVGEEF-IYOUNJFTSA-N 0 3 361.446 0.939 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2cnn(CCOC)c2C)C[C@H]1c1cncn1C ZINC001070648020 1219506174 /nfs/dbraw/zinc/50/61/74/1219506174.db2.gz ORCRFDJORFRISH-IAGOWNOFSA-N 0 3 370.457 0.402 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2CCc3cncn3C2)C[C@H]1c1cncn1C ZINC001070662107 1219513879 /nfs/dbraw/zinc/51/38/79/1219513879.db2.gz LPIFZDWYIIDABQ-DJIMGWMZSA-N 0 3 352.442 0.396 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)c2nc(C)c(C)nc2C)C[C@H]1c1cncn1C ZINC001070665718 1219516118 /nfs/dbraw/zinc/51/61/18/1219516118.db2.gz PAMSSUNAJCVRMX-HZPDHXFCSA-N 0 3 352.442 0.966 20 30 FCEDHN C#CCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)C[C@H]1c1cncn1C ZINC001070672774 1219517792 /nfs/dbraw/zinc/51/77/92/1219517792.db2.gz CQFLJHNLCPZMDR-KLHDSHLOSA-N 0 3 352.442 0.475 20 30 FCEDHN 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CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000834457199 1222573501 /nfs/dbraw/zinc/57/35/01/1222573501.db2.gz NJAFZFKXQHDAAO-QGZVFWFLSA-N 0 3 372.469 0.658 20 30 FCEDHN C#CCOc1ccccc1NC(=O)C(=O)NC[C@H]1CCCN1CCCO ZINC000835474958 1222603150 /nfs/dbraw/zinc/60/31/50/1222603150.db2.gz DYOBWORKVLWAHF-OAHLLOKOSA-N 0 3 359.426 0.600 20 30 FCEDHN C#CCN(C)CCCNC(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000838622862 1222688947 /nfs/dbraw/zinc/68/89/47/1222688947.db2.gz REWBLMSEWCKJPA-UHFFFAOYSA-N 0 3 374.489 0.527 20 30 FCEDHN CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCCNCC2)cc1C#N ZINC000841152787 1222810129 /nfs/dbraw/zinc/81/01/29/1222810129.db2.gz JDTMWENQGSAPSC-UHFFFAOYSA-N 0 3 359.386 0.887 20 30 FCEDHN C=CCN1CCC(CCOC)(NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1 ZINC001151303328 1222921229 /nfs/dbraw/zinc/92/12/29/1222921229.db2.gz ZGVVHBMRAZGBIA-CVEARBPZSA-N 0 3 367.490 0.796 20 30 FCEDHN C#CCOC[C@@H](O)CN1CCC[C@]12CCN(CCCn1cccc1)C2=O ZINC001277711326 1226166807 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ZINC001207736646 1223475147 /nfs/dbraw/zinc/47/51/47/1223475147.db2.gz WRUIFAPYFCQYHB-ZIAGYGMSSA-N 0 3 359.430 0.991 20 30 FCEDHN C#CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](NC(=O)c2[nH]nc3c2CCCC3)C1 ZINC001207846711 1223483626 /nfs/dbraw/zinc/48/36/26/1223483626.db2.gz BXWZEGQMVITWJM-DVOMOZLQSA-N 0 3 357.458 0.477 20 30 FCEDHN C#Cc1ccc(CN2CC[C@@]3(C2)CN([C@@H](CC)C(N)=O)C(=O)CO3)cc1 ZINC001276558578 1223518811 /nfs/dbraw/zinc/51/88/11/1223518811.db2.gz RPLXSFUSBGVEGD-FXAWDEMLSA-N 0 3 355.438 0.735 20 30 FCEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)c2c3n(c(=O)n2C)CCCC3)C1 ZINC001208604992 1223562329 /nfs/dbraw/zinc/56/23/29/1223562329.db2.gz NTMVZOOOSPFIRE-HUUCEWRRSA-N 0 3 362.474 0.776 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC001209707768 1223641931 /nfs/dbraw/zinc/64/19/31/1223641931.db2.gz IZNKVAYHRYKWNH-ZNMIVQPWSA-N 0 3 364.446 0.170 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001209737804 1223647041 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C=CCOCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC001214331458 1223901622 /nfs/dbraw/zinc/90/16/22/1223901622.db2.gz AFSKRQCFSYGDFO-HZSPNIEDSA-N 0 3 368.478 0.638 20 30 FCEDHN C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NCc2ccccc2)C1 ZINC001214337959 1223902163 /nfs/dbraw/zinc/90/21/63/1223902163.db2.gz HBJCBKZUPJSRBZ-IIAWOOMASA-N 0 3 371.441 0.609 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2ccncc2F)C[C@H]1C ZINC001214375089 1223905307 /nfs/dbraw/zinc/90/53/07/1223905307.db2.gz GPXCHETVZUGCPN-BXUZGUMPSA-N 0 3 363.393 0.283 20 30 FCEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cc[nH]c2C)C[C@H]1C ZINC001214413651 1223908487 /nfs/dbraw/zinc/90/84/87/1223908487.db2.gz INNOPVNMPGFRSW-OSAQELSMSA-N 0 3 361.446 0.774 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)Cc2cccnc2)C[C@H]1C ZINC001214444356 1223910173 /nfs/dbraw/zinc/91/01/73/1223910173.db2.gz SGDHAQLVJXDJPI-UKRRQHHQSA-N 0 3 359.430 0.072 20 30 FCEDHN CCCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C ZINC001214450222 1223910630 /nfs/dbraw/zinc/91/06/30/1223910630.db2.gz PPAJFSUKLAGQLE-BXUZGUMPSA-N 0 3 360.418 0.172 20 30 FCEDHN C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NCC(=O)NC[C@@H]1CCCO1 ZINC001214450076 1223910841 /nfs/dbraw/zinc/91/08/41/1223910841.db2.gz GODLHIVTJKVMDK-IVMMDQJWSA-N 0 3 359.430 0.232 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C ZINC001214464199 1223911841 /nfs/dbraw/zinc/91/18/41/1223911841.db2.gz QIKSIEBFIUIKAZ-CZUORRHYSA-N 0 3 356.430 0.699 20 30 FCEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C ZINC001214557527 1223921442 /nfs/dbraw/zinc/92/14/42/1223921442.db2.gz DYXXDXQRTNCEBO-RBSFLKMASA-N 0 3 362.478 0.678 20 30 FCEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)c2cnnn2CC)C[C@H]1C ZINC001214562400 1223921888 /nfs/dbraw/zinc/92/18/88/1223921888.db2.gz QKADPFFQDWVMFA-HUUCEWRRSA-N 0 3 362.478 0.773 20 30 FCEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1C ZINC001214593060 1223924318 /nfs/dbraw/zinc/92/43/18/1223924318.db2.gz BALNUQFYUXHRRU-NVXWUHKLSA-N 0 3 359.474 0.600 20 30 FCEDHN C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)Nc2cc(C)nn2C)C1 ZINC001214604643 1223925247 /nfs/dbraw/zinc/92/52/47/1223925247.db2.gz ITHYXKCCDYPWTB-VHDGCEQUSA-N 0 3 361.446 0.142 20 30 FCEDHN C#CCOCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCc2ccccc2)C1 ZINC001214606692 1223925268 /nfs/dbraw/zinc/92/52/68/1223925268.db2.gz MMPGXLBWNCJTHI-SJLPKXTDSA-N 0 3 357.454 0.779 20 30 FCEDHN C[C@@H]1CN(C(=O)c2ccnn2CC2CCC2)C[C@H]1NCC(=O)NCC#N ZINC001214638859 1223928764 /nfs/dbraw/zinc/92/87/64/1223928764.db2.gz FUCVYYSCAPXUMR-UKRRQHHQSA-N 0 3 358.446 0.373 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2c(C3CCC3)cnn2C)C[C@H]1C ZINC001214668015 1223930595 /nfs/dbraw/zinc/93/05/95/1223930595.db2.gz MWWISZOCXRHIHE-JKIFEVAISA-N 0 3 371.485 0.876 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CNC(=O)C2CCCC2)C[C@H]1C ZINC001214692590 1223933291 /nfs/dbraw/zinc/93/32/91/1223933291.db2.gz CSUDCDGDUZWQAO-IJEWVQPXSA-N 0 3 364.490 0.420 20 30 FCEDHN COCC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001214695055 1223934090 /nfs/dbraw/zinc/93/40/90/1223934090.db2.gz BDJAEWFZHCRTMO-SOLBZPMBSA-N 0 3 357.454 0.626 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnc3cc(C)ccn32)C[C@H]1C ZINC001214704925 1223934813 /nfs/dbraw/zinc/93/48/13/1223934813.db2.gz LIHZIIQQPUGEQY-BZUAXINKSA-N 0 3 367.453 0.831 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cnc3cc(C)ccn32)C[C@H]1C ZINC001214705441 1223935068 /nfs/dbraw/zinc/93/50/68/1223935068.db2.gz VKQHPKKMEUYLGX-HUUCEWRRSA-N 0 3 353.426 0.442 20 30 FCEDHN C[C@@H]1CN(C(=O)c2ccnn2C2CCCC2)C[C@H]1NCC(=O)NCC#N ZINC001214741263 1223937820 /nfs/dbraw/zinc/93/78/20/1223937820.db2.gz CNCCBISSDZNDQT-UKRRQHHQSA-N 0 3 358.446 0.688 20 30 FCEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1C ZINC001214757538 1223939022 /nfs/dbraw/zinc/93/90/22/1223939022.db2.gz OUUZCOOBCYEBCU-OWCLPIDISA-N 0 3 364.490 0.326 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCCc2ncc(C)o2)C[C@H]1C ZINC001214822283 1223945426 /nfs/dbraw/zinc/94/54/26/1223945426.db2.gz YJOHYPAUAXWRRY-VNQPRFMTSA-N 0 3 360.458 0.880 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cc3c([nH]2)CCOC3)C[C@H]1C ZINC001214841524 1223946983 /nfs/dbraw/zinc/94/69/83/1223946983.db2.gz ZVUAYHBYLXIEKT-PBFPGSCMSA-N 0 3 358.442 0.275 20 30 FCEDHN COc1ccc2c(c1)[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1)CC2 ZINC001214867581 1223950027 /nfs/dbraw/zinc/95/00/27/1223950027.db2.gz XMIBTGIGRBWALS-MZMPZRCHSA-N 0 3 370.453 0.801 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnc3[nH]ccc3c2)C[C@H]1C ZINC001214909254 1223954162 /nfs/dbraw/zinc/95/41/62/1223954162.db2.gz MKTNBLRYNRPKRE-DVOMOZLQSA-N 0 3 353.426 0.703 20 30 FCEDHN C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1C ZINC001214904840 1223954491 /nfs/dbraw/zinc/95/44/91/1223954491.db2.gz MBWHXFZIODXVGK-OWCLPIDISA-N 0 3 362.474 0.150 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccc3oc(=O)[nH]c3c2)C[C@H]1C ZINC001214905018 1223954505 /nfs/dbraw/zinc/95/45/05/1223954505.db2.gz UNCCCEKFFORJBW-TYNCELHUSA-N 0 3 370.409 0.721 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](CC(C)C)n2ccnc2)C[C@H]1C ZINC001214917052 1223954731 /nfs/dbraw/zinc/95/47/31/1223954731.db2.gz MWKLRJRMDBMURV-BRWVUGGUSA-N 0 3 359.474 0.656 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnc3cc[nH]c3c2)C[C@H]1C ZINC001214933885 1223956898 /nfs/dbraw/zinc/95/68/98/1223956898.db2.gz UQVKLHTYMQKHGK-IIYDPXPESA-N 0 3 353.426 0.751 20 30 FCEDHN C[C@@H]1CN(C(=O)COC/C=C\c2ccccc2)C[C@H]1NCC(=O)NCC#N ZINC001214948658 1223958441 /nfs/dbraw/zinc/95/84/41/1223958441.db2.gz VKZBXIKQORZZOC-GDOYXMMASA-N 0 3 370.453 0.793 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)Cc2cccc3cnccc32)C[C@H]1C ZINC001214960710 1223959530 /nfs/dbraw/zinc/95/95/30/1223959530.db2.gz MNWMNLRSQMPMOA-DNVCBOLYSA-N 0 3 364.449 0.963 20 30 FCEDHN C[C@@H]1CN(C(=O)c2ccc3c(c2)N(C)CCO3)C[C@H]1NCC(=O)NCC#N ZINC001214957158 1223959537 /nfs/dbraw/zinc/95/95/37/1223959537.db2.gz XLOLMXXYGGJMTI-UKRRQHHQSA-N 0 3 371.441 0.205 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cc(C)nnc2CC)C[C@H]1C ZINC001215004237 1223963027 /nfs/dbraw/zinc/96/30/27/1223963027.db2.gz VXCFZENONVTUED-HACGYAERSA-N 0 3 357.458 0.535 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccc(N(C)C)nc2)C[C@H]1C ZINC001215042495 1223966748 /nfs/dbraw/zinc/96/67/48/1223966748.db2.gz HQBWHLLHJGDIHE-IJEWVQPXSA-N 0 3 357.458 0.336 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(C(C)C)nn2CC)C[C@H]1C ZINC001215054416 1223968526 /nfs/dbraw/zinc/96/85/26/1223968526.db2.gz BLAFBASRDFOAEN-GDBMZVCRSA-N 0 3 359.474 0.826 20 30 FCEDHN CC(=O)Nc1ccc(CC(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)cc1 ZINC001215080830 1223971541 /nfs/dbraw/zinc/97/15/41/1223971541.db2.gz WWTKEPUHFKNBHM-CXAGYDPISA-N 0 3 371.441 0.264 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](NC(C)=O)C2CCCC2)C[C@H]1C ZINC001215105700 1223973293 /nfs/dbraw/zinc/97/32/93/1223973293.db2.gz NMDKNVZZLSQYKV-QBIMZIAESA-N 0 3 364.490 0.420 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2c(C)cc(=O)oc2C)C[C@H]1C ZINC001215103166 1223973351 /nfs/dbraw/zinc/97/33/51/1223973351.db2.gz IBYPCPLAWOPSJM-UMVBOHGHSA-N 0 3 361.442 0.997 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCc2cncc(C)c2)C[C@H]1C ZINC001215114482 1223974750 /nfs/dbraw/zinc/97/47/50/1223974750.db2.gz WHNRZDSGVOLRFA-SOLBZPMBSA-N 0 3 356.470 0.897 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2nncc3ccccc32)C[C@H]1C ZINC001215118519 1223974789 /nfs/dbraw/zinc/97/47/89/1223974789.db2.gz KMJZLVYCHHBUIQ-CZUORRHYSA-N 0 3 353.426 0.982 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)c2cnc3cc(OC)ccn32)C[C@H]1C ZINC001215141792 1223977203 /nfs/dbraw/zinc/97/72/03/1223977203.db2.gz RXJKUMYNADKYJV-UKRRQHHQSA-N 0 3 371.441 0.695 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2c(C)[nH]nc2C(F)(F)F)C[C@H]1C ZINC001215160230 1223979132 /nfs/dbraw/zinc/97/91/32/1223979132.db2.gz HRHIHKFOBVAAQD-MWLCHTKSSA-N 0 3 371.363 0.536 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)Cc2c(C)nc(CC)nc2C)C[C@H]1C ZINC001215181844 1223980030 /nfs/dbraw/zinc/98/00/30/1223980030.db2.gz KSJKYMMKLWYDAS-CXAGYDPISA-N 0 3 371.485 0.384 20 30 FCEDHN C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cc2cc(CC)nn2C)C[C@H]1C ZINC001215196500 1223981211 /nfs/dbraw/zinc/98/12/11/1223981211.db2.gz WGXRKLSZXKDQPE-CKEIUWERSA-N 0 3 361.490 0.652 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2cc(-c3ccco3)on2)C[C@H]1C ZINC001215261569 1223986283 /nfs/dbraw/zinc/98/62/83/1223986283.db2.gz IIPWAOCVPIGTLJ-TZMCWYRMSA-N 0 3 356.382 0.734 20 30 FCEDHN C=CCNC(=O)CN[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCO3)C[C@H]1C ZINC001215268915 1223986928 /nfs/dbraw/zinc/98/69/28/1223986928.db2.gz CRYUEMJGJUGPPV-RHSMWYFYSA-N 0 3 357.454 0.903 20 30 FCEDHN C[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCO3)C[C@H]1NCC(=O)NCC#N ZINC001215269310 1223987332 /nfs/dbraw/zinc/98/73/32/1223987332.db2.gz VEQQGIHMDHHSTI-CZUORRHYSA-N 0 3 356.426 0.240 20 30 FCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnc3onc(C)c3c2)C[C@H]1C ZINC001215276835 1223987861 /nfs/dbraw/zinc/98/78/61/1223987861.db2.gz BVLQMEOBHUDMFM-PVXIVEMSSA-N 0 3 369.425 0.719 20 30 FCEDHN C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(=O)NCC)C2)cc1 ZINC001215290133 1223989612 /nfs/dbraw/zinc/98/96/12/1223989612.db2.gz JPCDKWVGXOZMBE-JKIFEVAISA-N 0 3 370.453 0.952 20 30 FCEDHN C=C[C@H](CC)CC(=O)N1C[C@@H](C)[C@H](NCc2cc(=O)n(C)c(=O)n2C)C1 ZINC001215371511 1223994628 /nfs/dbraw/zinc/99/46/28/1223994628.db2.gz IYMLOLOHUJOKGH-IIAWOOMASA-N 0 3 362.474 0.623 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCCc3nn(C)cc32)C[C@H]1C ZINC001215402108 1223996792 /nfs/dbraw/zinc/99/67/92/1223996792.db2.gz ZTEQNMOLQKBLQC-JKIFEVAISA-N 0 3 357.458 0.026 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ccoc2CC(N)=O)C[C@H]1C ZINC001215402706 1223997088 /nfs/dbraw/zinc/99/70/88/1223997088.db2.gz BZSNCDQCCGNHHB-MBNYWOFBSA-N 0 3 362.430 0.048 20 30 FCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)c2occc2CC)C[C@H]1C ZINC001215472184 1224001097 /nfs/dbraw/zinc/00/10/97/1224001097.db2.gz RTPDMZUXAVYEJV-TZMCWYRMSA-N 0 3 362.430 0.904 20 30 FCEDHN C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCCOCC)C2)c1 ZINC001215500895 1224002016 /nfs/dbraw/zinc/00/20/16/1224002016.db2.gz CUQJEAONIHZNMP-RHSMWYFYSA-N 0 3 358.442 0.266 20 30 FCEDHN C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H](NCC(=O)N[C@@H](C)C(=O)N(C)C)C2)C1 ZINC001215498565 1224002019 /nfs/dbraw/zinc/00/20/19/1224002019.db2.gz JMJDNUWYVBTRQT-QLFBSQMISA-N 0 3 364.490 0.372 20 30 FCEDHN CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)c2[nH]c(C)nc2C)C[C@H]1C ZINC001215575183 1224007135 /nfs/dbraw/zinc/00/71/35/1224007135.db2.gz MXFKMZDMHYYLSM-IUODEOHRSA-N 0 3 360.462 0.839 20 30 FCEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)[C@@H](CC)NC(C)=O)C[C@H]1C ZINC001215617565 1224010336 /nfs/dbraw/zinc/01/03/36/1224010336.db2.gz URRSMWZIUFRPKC-DJIMGWMZSA-N 0 3 366.506 0.762 20 30 FCEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cccc3c2OCC3)C[C@H]1C ZINC001215630605 1224010962 /nfs/dbraw/zinc/01/09/62/1224010962.db2.gz JNLHJXIIOWXOHF-CKEIUWERSA-N 0 3 355.438 0.810 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)c2noc3c2CCCCC3)C[C@H]1C ZINC001215714143 1224013742 /nfs/dbraw/zinc/01/37/42/1224013742.db2.gz FGPKQKIEJLMOAH-UKRRQHHQSA-N 0 3 358.442 0.743 20 30 FCEDHN C[C@@H]1CN(C(=O)[C@H]2Cc3cc(F)ccc3O2)C[C@H]1NCC(=O)NCC#N ZINC001215728685 1224014381 /nfs/dbraw/zinc/01/43/81/1224014381.db2.gz QLUPAWNFLJNLQL-DJSGYFEHSA-N 0 3 360.389 0.205 20 30 FCEDHN C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC(C)C)C1 ZINC001215802931 1224018425 /nfs/dbraw/zinc/01/84/25/1224018425.db2.gz NJXPVJAMEGKQSO-HYVNUMGLSA-N 0 3 366.506 0.666 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)C[C@H]1C ZINC001215812232 1224018870 /nfs/dbraw/zinc/01/88/70/1224018870.db2.gz GTLLIDVYVODGTN-JHPSMNPCSA-N 0 3 351.450 0.758 20 30 FCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)Cc2c(C)noc2C)C[C@H]1C ZINC001215818246 1224019383 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ZINC001216772953 1224071071 /nfs/dbraw/zinc/07/10/71/1224071071.db2.gz RQKKDWZPQHLSNM-VHDGCEQUSA-N 0 3 368.441 0.226 20 30 FCEDHN C=CCN1CC[C@H](N[C@@H]2CN(C(=O)CCCCC(=O)NC)C[C@H]2C)C1=O ZINC001216919022 1224081313 /nfs/dbraw/zinc/08/13/13/1224081313.db2.gz NQGSXSFZVWHCRW-OWCLPIDISA-N 0 3 364.490 0.516 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cc(N(C)C)ccn2)C[C@H]1C ZINC001216988632 1224083417 /nfs/dbraw/zinc/08/34/17/1224083417.db2.gz VMIPFOWYRQHDJS-JKIFEVAISA-N 0 3 359.474 0.888 20 30 FCEDHN CCN(C)c1ccc(C(=O)N2C[C@@H](C)[C@H](NCC(=O)NCC#N)C2)cc1 ZINC001217001821 1224083773 /nfs/dbraw/zinc/08/37/73/1224083773.db2.gz ZYYPFOWNDNDCDK-RHSMWYFYSA-N 0 3 357.458 0.833 20 30 FCEDHN C[C@@H]1CN(C(=O)[C@]2(C)OCCc3ccccc32)C[C@H]1NCC(=O)NCC#N ZINC001217022569 1224085460 /nfs/dbraw/zinc/08/54/60/1224085460.db2.gz WFIOFIITFNQIRV-WIBUTAKZSA-N 0 3 370.453 0.551 20 30 FCEDHN C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnc(OCC)cn2)C[C@H]1C ZINC001217072499 1224087486 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C=CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001127686318 1259184682 /nfs/dbraw/zinc/18/46/82/1259184682.db2.gz ZFUUGIKKYZXDIN-VHDGCEQUSA-N 0 3 359.430 0.291 20 30 FCEDHN C=CCOCC(=O)N[C@@H]1CN(C[C@@H](OCC)C2CC2)C[C@@H]1n1ccnn1 ZINC001128812041 1259238858 /nfs/dbraw/zinc/23/88/58/1259238858.db2.gz NSXNUOBUQPEGPC-IXDOHACOSA-N 0 3 363.462 0.637 20 30 FCEDHN C#CCOCCC(=O)N[C@@H]1CN(CCCCCOC)C[C@@H]1n1ccnn1 ZINC001128976286 1259279359 /nfs/dbraw/zinc/27/93/59/1259279359.db2.gz NRURONZQAZCTFU-SJORKVTESA-N 0 3 363.462 0.476 20 30 FCEDHN C=CCCCN1C[C@@H](NC(=O)Cc2cn(CC)nn2)[C@@H](n2ccnn2)C1 ZINC001129118765 1259320247 /nfs/dbraw/zinc/32/02/47/1259320247.db2.gz PACPOBMVPYWKID-CVEARBPZSA-N 0 3 358.450 0.440 20 30 FCEDHN C=CCOCCN1C[C@@H](NC(=O)CN2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266989 1259358672 /nfs/dbraw/zinc/35/86/72/1259358672.db2.gz SINKBEDVGWSAJM-BBWFWOEESA-N 0 3 362.478 0.164 20 30 FCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cc2ccc[nH]2)[n-]1 ZINC001130251149 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VMUFEAGAPBQZPM-KRWDZBQOSA-N 0 3 362.474 0.608 20 30 FCEDHN C=CCN1CCN(C)C2(CCN(C[C@@H](O)C(=O)OC(C)(C)C)CC2)C1=O ZINC001253678036 1259849724 /nfs/dbraw/zinc/84/97/24/1259849724.db2.gz JHVXULKBTYNNOZ-OAHLLOKOSA-N 0 3 367.490 0.484 20 30 FCEDHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 ZINC001335918822 1259901725 /nfs/dbraw/zinc/90/17/25/1259901725.db2.gz LBTUGTOSEGBKEA-KRWDZBQOSA-N 0 3 370.457 0.154 20 30 FCEDHN C=CCN1CCC(NC(=O)C(=O)N(C)Cc2cccc(C(N)=O)c2)CC1 ZINC001258211724 1260038475 /nfs/dbraw/zinc/03/84/75/1260038475.db2.gz QHYDSVAVIXCRSY-UHFFFAOYSA-N 0 3 358.442 0.511 20 30 FCEDHN C=CCn1c(-c2cc(=O)[nH]c(=O)[nH]2)nnc1N1CCN(CC(C)C)CC1 ZINC001262957368 1260335663 /nfs/dbraw/zinc/33/56/63/1260335663.db2.gz QVYUELQVPJVDRT-UHFFFAOYSA-N 0 3 359.434 0.671 20 30 FCEDHN Cn1c(-c2ccc(C#N)[nH]2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001338237430 1260595659 /nfs/dbraw/zinc/59/56/59/1260595659.db2.gz OZGVEJNNCMMFDH-UHFFFAOYSA-N 0 3 368.445 0.426 20 30 FCEDHN C=CCOC[C@@H](O)CN1CC[C@@]2(C1)CN(CC1CCOCC1)C(=O)CO2 ZINC001277778444 1260668124 /nfs/dbraw/zinc/66/81/24/1260668124.db2.gz MRJQJJVVPRVVPR-PKOBYXMFSA-N 0 3 368.474 0.280 20 30 FCEDHN C[C@@H]1CN2CCN1C[C@@H]2C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001345550183 1261736737 /nfs/dbraw/zinc/73/67/37/1261736737.db2.gz ZBXBTTDWPKUPDQ-YLJYHZDGSA-N 0 3 367.497 0.981 20 30 FCEDHN COCCN(C)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001301733105 1263018887 /nfs/dbraw/zinc/01/88/87/1263018887.db2.gz DYGKXTLRYFOVMM-WMLDXEAASA-N 0 3 366.441 0.802 20 30 FCEDHN COCCN(C)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@](F)(C#N)C1 ZINC001301733101 1263019735 /nfs/dbraw/zinc/01/97/35/1263019735.db2.gz DYGKXTLRYFOVMM-PBHICJAKSA-N 0 3 366.441 0.802 20 30 FCEDHN CN1CC[C@@](O)(CNC(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)C1 ZINC001311126022 1263248643 /nfs/dbraw/zinc/24/86/43/1263248643.db2.gz PDKPAYSNHZQLOY-GOSISDBHSA-N 0 3 354.414 0.991 20 30 FCEDHN CN1CCN(Cc2cccc(CNC(=O)N3CCO[C@H](C#N)C3)c2)CC1 ZINC001318299704 1263559326 /nfs/dbraw/zinc/55/93/26/1263559326.db2.gz BIOKVQAZGSFVNS-GOSISDBHSA-N 0 3 357.458 0.868 20 30 FCEDHN N#Cc1ccc2c(c1)N(C(=O)C(=O)NC[C@@H]1CN3CCC[C@@H]3CO1)CC2 ZINC001320212641 1263773007 /nfs/dbraw/zinc/77/30/07/1263773007.db2.gz PJXUJHMVMUHATC-HZPDHXFCSA-N 0 3 354.410 0.427 20 30 FCEDHN N#Cc1ccc2c(c1)N(C(=O)C(=O)NC[C@H]1CN3CCC[C@H]3CO1)CC2 ZINC001320212637 1263773230 /nfs/dbraw/zinc/77/32/30/1263773230.db2.gz PJXUJHMVMUHATC-HOTGVXAUSA-N 0 3 354.410 0.427 20 30 FCEDHN CN1CCN(CCNC(=O)C(=O)NCC#Cc2ccccc2)CC1(C)C ZINC001321973096 1264116062 /nfs/dbraw/zinc/11/60/62/1264116062.db2.gz PLVACYCGKXEJCJ-UHFFFAOYSA-N 0 3 356.470 0.297 20 30 FCEDHN COCCN1CC[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 ZINC001322564577 1264219788 /nfs/dbraw/zinc/21/97/88/1264219788.db2.gz ATAWQPNSWFKKDU-JKSUJKDBSA-N 0 3 356.426 0.748 20 30 FCEDHN C#CCn1ccc(CN(CC)C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)n1 ZINC001322773169 1264260752 /nfs/dbraw/zinc/26/07/52/1264260752.db2.gz FNKPWQQEEGZNMN-MRXNPFEDSA-N 0 3 357.458 0.465 20 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/nfs/dbraw/zinc/54/02/29/1269540229.db2.gz LSQHPPCAZPYTQG-INIZCTEOSA-N 0 3 361.494 0.769 20 30 FCEDHN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC001569362124 1269777632 /nfs/dbraw/zinc/77/76/32/1269777632.db2.gz WSUSPMINVQWUJD-BJJXKVORSA-N 0 3 362.455 0.388 20 30 FCEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)nnn1C ZINC001343346396 1269869120 /nfs/dbraw/zinc/86/91/20/1269869120.db2.gz BTDHBBCYYRRPTQ-ZDUSSCGKSA-N 0 3 354.370 0.787 20 30 FCEDHN C#CCN(C(=O)c1snnc1C)C1CCN(CCc2cn[nH]n2)CC1 ZINC001574928055 1271680716 /nfs/dbraw/zinc/68/07/16/1271680716.db2.gz GERFMWUFTDIQKG-UHFFFAOYSA-N 0 3 359.459 0.747 20 30 FCEDHN C#Cc1ccc(C(=O)NC[C@@H](C)N(CC)CC(=O)NCc2c[nH]nn2)cc1 ZINC001575023140 1271697557 /nfs/dbraw/zinc/69/75/57/1271697557.db2.gz XLFDNXAQYQHYGU-CQSZACIVSA-N 0 3 368.441 0.543 20 30 FCEDHN C=C1CCC(C(=O)NC[C@@H]2CCN([C@H](C)C(=O)NCc3c[nH]nn3)C2)CC1 ZINC001575061044 1271704019 /nfs/dbraw/zinc/70/40/19/1271704019.db2.gz AKEDJWBSHYVINO-CABCVRRESA-N 0 3 374.489 0.994 20 30 FCEDHN C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(CC(=O)NCc2cn[nH]n2)C3)C1 ZINC001575059651 1271704889 /nfs/dbraw/zinc/70/48/89/1271704889.db2.gz NKGGNYSTMCCONF-LZWOXQAQSA-N 0 3 372.473 0.746 20 30 FCEDHN C=C[C@@](C)(CC)C(=O)NC[C@@H]1[C@H]2CN(CC(=O)NCc3c[nH]nn3)C[C@H]21 ZINC001575073496 1271710084 /nfs/dbraw/zinc/71/00/84/1271710084.db2.gz QNFHXDRAGHYUBA-AFIMGQEJSA-N 0 3 360.462 0.317 20 30 FCEDHN C=C[C@](C)(O)CC(=O)NC1(CCOC)CCN(CCc2cn[nH]n2)CC1 ZINC001575074398 1271710347 /nfs/dbraw/zinc/71/03/47/1271710347.db2.gz WBRWSVVNKPMJIX-KRWDZBQOSA-N 0 3 365.478 0.662 20 30 FCEDHN C[C@H](C(=O)NCc1c[nH]nn1)N1CCC[C@@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001575225260 1271825067 /nfs/dbraw/zinc/82/50/67/1271825067.db2.gz VRIOGRMNBSWTJS-CABCVRRESA-N 0 3 374.489 0.687 20 30 FCEDHN C[C@H](OCc1cn[nH]n1)C(=O)N(C)C[C@@H](O)CNCC#Cc1ccccc1 ZINC001575720698 1272375073 /nfs/dbraw/zinc/37/50/73/1272375073.db2.gz VIJHIKWRSXFYGM-YJBOKZPZSA-N 0 3 371.441 0.170 20 30 FCEDHN C[C@H](CC#N)N(C)S(=O)(=O)N(Cc1ccccc1)CC1(O)CNC1 ZINC001575910790 1272558274 /nfs/dbraw/zinc/55/82/74/1272558274.db2.gz ASRXTHFSUIILLP-CQSZACIVSA-N 0 3 352.460 0.302 20 30 FCEDHN CC1(C)CNCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC001576481885 1273322853 /nfs/dbraw/zinc/32/28/53/1273322853.db2.gz GONVJTDPMOKYGJ-UHFFFAOYSA-N 0 3 350.444 0.703 20 30 FCEDHN COCC#CCN1CC[C@@H](NC(=O)c2ccc(-c3cn[nH]n3)cc2)[C@H](O)C1 ZINC001576951672 1273972124 /nfs/dbraw/zinc/97/21/24/1273972124.db2.gz CDUWLLOCHSMSCX-SJLPKXTDSA-N 0 3 369.425 0.287 20 30 FCEDHN C[N@H+](CCNC(=O)c1c[nH]c(C#N)c1)Cc1ccccc1-c1nnn[n-]1 ZINC001579192362 1276966267 /nfs/dbraw/zinc/96/62/67/1276966267.db2.gz XYLJBAIFAYVXCJ-UHFFFAOYSA-N 0 3 350.386 0.928 20 30 FCEDHN C[N@@H+](CCNC(=O)c1c[nH]c(C#N)c1)Cc1ccccc1-c1nnn[n-]1 ZINC001579192362 1276966268 /nfs/dbraw/zinc/96/62/68/1276966268.db2.gz XYLJBAIFAYVXCJ-UHFFFAOYSA-N 0 3 350.386 0.928 20 30 FCEDHN COCC#CC[NH2+][C@@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C12CCC2 ZINC001579618962 1277664774 /nfs/dbraw/zinc/66/47/74/1277664774.db2.gz NOEVPJFALHQMDI-CABCVRRESA-N 0 3 369.429 0.475 20 30 FCEDHN COCC#CC[NH2+][C@@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C12CCC2 ZINC001579618962 1277664782 /nfs/dbraw/zinc/66/47/82/1277664782.db2.gz NOEVPJFALHQMDI-CABCVRRESA-N 0 3 369.429 0.475 20 30 FCEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1=NN(CCO)C(=O)CC1 ZINC001583966401 1282125719 /nfs/dbraw/zinc/12/57/19/1282125719.db2.gz MBBRCPFGSDRATC-UHFFFAOYSA-N 0 3 371.441 0.419 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588351017 1282447879 /nfs/dbraw/zinc/44/78/79/1282447879.db2.gz CKSPOCBJODTCPI-KRWDZBQOSA-N 0 3 367.457 0.560 20 30 FCEDHN C#CCN1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001588351017 1282447887 /nfs/dbraw/zinc/44/78/87/1282447887.db2.gz CKSPOCBJODTCPI-KRWDZBQOSA-N 0 3 367.457 0.560 20 30 FCEDHN C#CCNC(=O)CC[NH2+]C1CCN(Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588353959 1282448979 /nfs/dbraw/zinc/44/89/79/1282448979.db2.gz CFAUYVXUSIKXCG-UHFFFAOYSA-N 0 3 367.457 0.560 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NCC[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001588356801 1282461384 /nfs/dbraw/zinc/46/13/84/1282461384.db2.gz GIGRYCQTUGFAMB-KBPBESRZSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCO[C@@H](C)C(=O)NCC[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001588356801 1282461387 /nfs/dbraw/zinc/46/13/87/1282461387.db2.gz GIGRYCQTUGFAMB-KBPBESRZSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCOCCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001588359066 1282472430 /nfs/dbraw/zinc/47/24/30/1282472430.db2.gz GNXSTVYMRWOTHE-ZIAGYGMSSA-N 0 3 356.430 0.889 20 30 FCEDHN C#CCOCCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001588359066 1282472433 /nfs/dbraw/zinc/47/24/33/1282472433.db2.gz GNXSTVYMRWOTHE-ZIAGYGMSSA-N 0 3 356.430 0.889 20 30 FCEDHN C=C(C)CC[NH+]1CCC(CO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001588419573 1282505594 /nfs/dbraw/zinc/50/55/94/1282505594.db2.gz OKZIAEPNSDVGMC-UHFFFAOYSA-N 0 3 359.434 0.718 20 30 FCEDHN C=C(C)CC[NH+]1CCC(CO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001588419573 1282505601 /nfs/dbraw/zinc/50/56/01/1282505601.db2.gz OKZIAEPNSDVGMC-UHFFFAOYSA-N 0 3 359.434 0.718 20 30 FCEDHN C=C(CC[NH+](C)C)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001588443956 1282507359 /nfs/dbraw/zinc/50/73/59/1282507359.db2.gz BTTQKCISAAVKQO-UHFFFAOYSA-N 0 3 356.434 0.418 20 30 FCEDHN C=C(CC[NH+](C)C)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001588443956 1282507370 /nfs/dbraw/zinc/50/73/70/1282507370.db2.gz BTTQKCISAAVKQO-UHFFFAOYSA-N 0 3 356.434 0.418 20 30 FCEDHN C=C[C@](C)(O)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588498695 1282528098 /nfs/dbraw/zinc/52/80/98/1282528098.db2.gz CHEUZRWQZNNSTI-QAPCUYQASA-N 0 3 356.430 0.884 20 30 FCEDHN C=C[C@](C)(O)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001588498695 1282528112 /nfs/dbraw/zinc/52/81/12/1282528112.db2.gz CHEUZRWQZNNSTI-QAPCUYQASA-N 0 3 356.430 0.884 20 30 FCEDHN C=CCOCC[NH+]1CCC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001588682458 1282639707 /nfs/dbraw/zinc/63/97/07/1282639707.db2.gz FQTBUYIIYZJOER-UHFFFAOYSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[NH+]1CCC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001588682458 1282639718 /nfs/dbraw/zinc/63/97/18/1282639718.db2.gz FQTBUYIIYZJOER-UHFFFAOYSA-N 0 3 359.434 0.839 20 30 FCEDHN C=CCOCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588682431 1282639923 /nfs/dbraw/zinc/63/99/23/1282639923.db2.gz FDXVTQSQZFQPSL-ZDUSSCGKSA-N 0 3 359.434 0.791 20 30 FCEDHN C=CCOCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588682431 1282639938 /nfs/dbraw/zinc/63/99/38/1282639938.db2.gz FDXVTQSQZFQPSL-ZDUSSCGKSA-N 0 3 359.434 0.791 20 30 FCEDHN C=CCOCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588682431 1282639952 /nfs/dbraw/zinc/63/99/52/1282639952.db2.gz FDXVTQSQZFQPSL-ZDUSSCGKSA-N 0 3 359.434 0.791 20 30 FCEDHN C=CCOCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588682431 1282639966 /nfs/dbraw/zinc/63/99/66/1282639966.db2.gz FDXVTQSQZFQPSL-ZDUSSCGKSA-N 0 3 359.434 0.791 20 30 FCEDHN C=CCOCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001588682126 1282641391 /nfs/dbraw/zinc/64/13/91/1282641391.db2.gz BSPNOSQWDDWQFP-STQMWFEESA-N 0 3 359.434 0.838 20 30 FCEDHN C=CCOCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001588682126 1282641400 /nfs/dbraw/zinc/64/14/00/1282641400.db2.gz BSPNOSQWDDWQFP-STQMWFEESA-N 0 3 359.434 0.838 20 30 FCEDHN C=CCOCC[NH2+][C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H](C)C1 ZINC001588682160 1282641811 /nfs/dbraw/zinc/64/18/11/1282641811.db2.gz CFDGWYBUQIXVJX-OLZOCXBDSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[NH2+][C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](C)C1 ZINC001588682160 1282641820 /nfs/dbraw/zinc/64/18/20/1282641820.db2.gz CFDGWYBUQIXVJX-OLZOCXBDSA-N 0 3 359.434 0.980 20 30 FCEDHN C=CCOCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1(C)C ZINC001588683413 1282644183 /nfs/dbraw/zinc/64/41/83/1282644183.db2.gz RVUJHJZCJQZKET-CQSZACIVSA-N 0 3 359.434 0.838 20 30 FCEDHN C=CCOCC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1(C)C ZINC001588683413 1282644196 /nfs/dbraw/zinc/64/41/96/1282644196.db2.gz RVUJHJZCJQZKET-CQSZACIVSA-N 0 3 359.434 0.838 20 30 FCEDHN C=CCOCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001588683498 1282650814 /nfs/dbraw/zinc/65/08/14/1282650814.db2.gz WDFCAKZLSGZBKA-CQSZACIVSA-N 0 3 359.434 0.934 20 30 FCEDHN C=CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001588683498 1282650828 /nfs/dbraw/zinc/65/08/28/1282650828.db2.gz WDFCAKZLSGZBKA-CQSZACIVSA-N 0 3 359.434 0.934 20 30 FCEDHN CC(C)C#CC(=O)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001589385104 1282860105 /nfs/dbraw/zinc/86/01/05/1282860105.db2.gz WXOKZLUYJYBKRX-INIZCTEOSA-N 0 3 368.441 0.843 20 30 FCEDHN CC(C)C#CC(=O)N1CCO[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001589385104 1282860112 /nfs/dbraw/zinc/86/01/12/1282860112.db2.gz WXOKZLUYJYBKRX-INIZCTEOSA-N 0 3 368.441 0.843 20 30 FCEDHN CCOC(=O)[C@H](C)CNC(=O)C(C#N)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001590749951 1283803310 /nfs/dbraw/zinc/80/33/10/1283803310.db2.gz FCVFMOCVEVTPSS-BXUZGUMPSA-N 0 3 356.386 0.864 20 30 FCEDHN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)c(-c3nnn[n-]3)cn2)c1C#N ZINC001591217296 1284355287 /nfs/dbraw/zinc/35/52/87/1284355287.db2.gz LVKLENPMTDFDBD-UHFFFAOYSA-N 0 3 366.389 0.569 20 30 FCEDHN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)c(-c3nn[n-]n3)cn2)c1C#N ZINC001591217296 1284355296 /nfs/dbraw/zinc/35/52/96/1284355296.db2.gz LVKLENPMTDFDBD-UHFFFAOYSA-N 0 3 366.389 0.569 20 30 FCEDHN COCC#CC[NH2+][C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C ZINC001591360144 1284494706 /nfs/dbraw/zinc/49/47/06/1284494706.db2.gz ACQOBLCLRHIOTP-OCCSQVGLSA-N 0 3 357.418 0.285 20 30 FCEDHN COCC#CC[NH2+][C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C ZINC001591360144 1284494710 /nfs/dbraw/zinc/49/47/10/1284494710.db2.gz ACQOBLCLRHIOTP-OCCSQVGLSA-N 0 3 357.418 0.285 20 30 FCEDHN COCC#CC[NH2+]C1CCC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001591360944 1284495619 /nfs/dbraw/zinc/49/56/19/1284495619.db2.gz IRRZFKANAGSSOS-UHFFFAOYSA-N 0 3 357.418 0.475 20 30 FCEDHN COCC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001591360260 1284496229 /nfs/dbraw/zinc/49/62/29/1284496229.db2.gz BSMKWPOBLFAGOT-STQMWFEESA-N 0 3 357.418 0.285 20 30 FCEDHN COCC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001591360260 1284496235 /nfs/dbraw/zinc/49/62/35/1284496235.db2.gz BSMKWPOBLFAGOT-STQMWFEESA-N 0 3 357.418 0.285 20 30 FCEDHN COCC#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001591361451 1284497675 /nfs/dbraw/zinc/49/76/75/1284497675.db2.gz MRTJELDNYAIQFI-BBRMVZONSA-N 0 3 371.445 0.675 20 30 FCEDHN COCC#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001591361453 1284498134 /nfs/dbraw/zinc/49/81/34/1284498134.db2.gz MRTJELDNYAIQFI-CZUORRHYSA-N 0 3 371.445 0.675 20 30 FCEDHN CCCN(CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)Cc1cccc(C#N)c1 ZINC001731869089 1288568835 /nfs/dbraw/zinc/56/88/35/1288568835.db2.gz NOGCTRWYBYKMFT-DLBZAZTESA-N 0 3 358.442 0.919 20 30 FCEDHN N#Cc1ccc([C@@H](C(=O)[O-])N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC001608199275 1288789085 /nfs/dbraw/zinc/78/90/85/1288789085.db2.gz AANGVRYYILPUBP-WCVJEAGWSA-N 0 3 356.382 0.551 20 30 FCEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC001609055559 1288890636 /nfs/dbraw/zinc/89/06/36/1288890636.db2.gz IIRAHEXKONOVBY-OAHLLOKOSA-N 0 3 369.429 0.235 20 30 FCEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC001609055559 1288890638 /nfs/dbraw/zinc/89/06/38/1288890638.db2.gz IIRAHEXKONOVBY-OAHLLOKOSA-N 0 3 369.429 0.235 20 30 FCEDHN N#Cc1cccc(-c2nn[n-]n2)c1N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001609499316 1289181863 /nfs/dbraw/zinc/18/18/63/1289181863.db2.gz IPIPDVCRPHZBMR-HNNXBMFYSA-N 0 3 366.429 0.657 20 30 FCEDHN N#Cc1cccc(-c2nn[n-]n2)c1N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001609499316 1289181864 /nfs/dbraw/zinc/18/18/64/1289181864.db2.gz IPIPDVCRPHZBMR-HNNXBMFYSA-N 0 3 366.429 0.657 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2C)C[C@H]1c1cnn(C)c1 ZINC001691978868 1289355346 /nfs/dbraw/zinc/35/53/46/1289355346.db2.gz YBPDBKDMNLVHNV-GVDBMIGSSA-N 0 3 357.458 0.338 20 30 FCEDHN C#CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)CCCn1cncn1 ZINC001692092067 1289398005 /nfs/dbraw/zinc/39/80/05/1289398005.db2.gz AIKXZJRFSIVJDJ-CVEARBPZSA-N 0 3 360.462 0.024 20 30 FCEDHN C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)N(C)C ZINC001611478706 1289651091 /nfs/dbraw/zinc/65/10/91/1289651091.db2.gz LMULROGQDQKYTI-ZIAGYGMSSA-N 0 3 361.450 0.193 20 30 FCEDHN COCCN(C)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1 ZINC001619880719 1289966757 /nfs/dbraw/zinc/96/67/57/1289966757.db2.gz BURQVDJPQDOSTP-CABCVRRESA-N 0 3 364.450 0.089 20 30 FCEDHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CSCC#N)C[C@H]1OC ZINC001757132069 1290721576 /nfs/dbraw/zinc/72/15/76/1290721576.db2.gz FTFGGOSELAKNLK-RBSFLKMASA-N 0 3 368.503 0.460 20 30 FCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)COCCC)C[C@H]2OC)CC1 ZINC001757132236 1290721724 /nfs/dbraw/zinc/72/17/24/1290721724.db2.gz LRLPDJIYVYIFCP-IAGOWNOFSA-N 0 3 365.474 0.100 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)[C@@H]2CCn3cncc3C2)C[C@H]1c1cnn(C)c1 ZINC001689032103 1294576796 /nfs/dbraw/zinc/57/67/96/1294576796.db2.gz NBRQNOKCEAVIRQ-AYOQOUSVSA-N 0 3 366.469 0.787 20 30 FCEDHN CC#CCN[C@@H]1CN(C(=O)c2cn(C(C)(C)C)nn2)C[C@H]1c1cnn(C)c1 ZINC001689032394 1294578708 /nfs/dbraw/zinc/57/87/08/1294578708.db2.gz ZEGHPVBBVUAVHT-JKSUJKDBSA-N 0 3 369.473 0.988 20 30 FCEDHN C#CCN1CCC(C(=O)NCC2(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)CC1 ZINC001689590952 1294802907 /nfs/dbraw/zinc/80/29/07/1294802907.db2.gz QPEQCEMILDBDPW-ZACQAIPSSA-N 0 3 359.470 0.664 20 30 FCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCCCN(C)CCc1nnn(C(C)(C)C)n1 ZINC001689844301 1294845636 /nfs/dbraw/zinc/84/56/36/1294845636.db2.gz XWIKSZYVRSNRJX-CABCVRRESA-N 0 3 364.494 1.000 20 30 FCEDHN C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(CC)CC ZINC001689965906 1294849024 /nfs/dbraw/zinc/84/90/24/1294849024.db2.gz GIQALICCACDCFC-LSDHHAIUSA-N 0 3 367.519 0.980 20 30 FCEDHN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)NCC(=O)NCC#N ZINC001690606130 1294874464 /nfs/dbraw/zinc/87/44/64/1294874464.db2.gz GZMJBGYMNJJMHJ-LEWSCRJBSA-N 0 3 350.369 0.802 20 30 FCEDHN C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H](CNCCS(C)(=O)=O)C1 ZINC001691799896 1294925080 /nfs/dbraw/zinc/92/50/80/1294925080.db2.gz MYBXMARPDKYHDG-OCCSQVGLSA-N 0 3 352.460 0.761 20 30 FCEDHN C=CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCNC(=O)C1 ZINC001691804354 1294926634 /nfs/dbraw/zinc/92/66/34/1294926634.db2.gz VMYUJKOHCFTEHX-KFWWJZLASA-N 0 3 350.463 0.032 20 30 FCEDHN N#CCNC(=O)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC001691841728 1294937854 /nfs/dbraw/zinc/93/78/54/1294937854.db2.gz HEKXSMPRJPGOHQ-DZGCQCFKSA-N 0 3 370.388 0.386 20 30 FCEDHN